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Letno poročiLo AnnuAl RepoRt

2015

2 Letno poročilo – Annual report 2015

Poslanstvo Kemijskega inštituta

- expand knowledge of chemistry and associated studies;

- apply newly acquired knowledge in industry;

- transfer knowledge to younger generations.

Mission

- pridobivanje novih znanj s področja kemije in sorodnih ved;

- prenos pridobljenega znanja v industrijo;

- prenos pridobljenega znanja na mlajše generacije.

3

Kazalo / Index

Uvodna beseda direktorja / Director’s Introduction 4

Vodstvo inštituta / Institute Management 6

Pregled poslovanja inštituta / Overview of the Institute’s Business Operation 8

Mednarodno sodelovanje 2015 / International Cooperation 2015 14

Zaposleni in izobraževanje / Employees and education 16

Doktorati, magisteriji in diplome v letu 2015 / Doctoral, Master’s and Graduate Theses in 2015 18

Objave in citiranost v letu 2015 / Publications and Citations in 2015 19

Uspehi, nagrade in priznanja v letu 2015 / Achievements, awards and recognitions in 2015 24

Prenos znanja v gospodarstvo / Knowledge Transfer into the Economy 29

Zaposleni v splošnem sektorju / General sector – employees 34

Laboratorij za računalniške bioznanosti in bioinformatiko / Laboratory for Biocomputing and Bioinformatics 36

Laboratorij za kemometrijo / Laboratory of Chemometrics 42

Laboratorij za analizno kemijo / Analytical Chemistry Laboratory 50

Laboratorij za okoljske vede in inženirstvo / Laboratory for Environmental Sciences and Engineering 58

Laboratorij za prehrambeno kemijo / Laboratory for Food Chemistry 64

Laboratorij za polimerno kemijo in tehnologijo / Laboratory for Polymer Chemistry and Technology 70

Laboratorij za anorgansko kemijo in tehnologijo / Laboratory for Inorganic Chemistry and Technology 78

Laboratorij za kemijo materialov / Laboratory for Materials Chemistry 84

Laboratorij za molekularno biologijo in nanobiotehnologijo /

Laboratory for Molecular Biology and Nanobiotechnology 92

Laboratorij za biotehnologijo / Laboratory of Biotechnology 100

Laboratorij za katalizo in reakcijsko inženirstvo /

Laboratory for Catalysis and Chemical Reaction Engineering 108

Laboratorij za strukturo biomolekul / Laboratory of Biomolecular Structure 116

(NMR) Nacionalni center za NMR spektroskopijo visoke ločljivosti / Slovenian NMR Centre 122

(CVTA) Center za validacijske tehnologije in analitiko / Center for Validation Technologies and Analytics 132

Laboratorij za molekularno modeliranje / Laboratory for Molecular Modeling 138

Bibliograija / Bibliography 146


S svojimi raziskavami skrbimo za izobraževanje in strokovni razvoj mladih intelektualcev. Še posebej smo ponosni na izobraževalno aktivnost, ki jo iz-kazujemo z velikim številom mladih doktorandov, ki v naših laboratorijih ustvarjajo novo znanje. Takšnih je bilo v letu 2015 kar 71, več kot petina vseh zaposlenih. Na ta način pomembno izkazuje-mo poslanstvo inštituta, tj. prenašanje znanja na mlajše generacije, in dokazujemo, da smo pomem-bna slovenska akademska ustanova na področju doktorskega izobraževanja in usposabljanja.

Najpomembnejše poslanstvo inštituta je prido-bivanje novega znanja s področja kemije in sorodnih ved. To našo znanstveno odličnost smo izkazali s številnimi objavami v prestižnih revijah, pri čemer je treba izpostaviti članek na področju raziskav novih materialov za sodobne baterijske sisteme v reviji Science, ki je nastal v sodelovanju s francoskim inštitutom College de France. Članek z naslovom »Vizualizacija O-O peroksidnih dimerov v katodnih materialih z visoko energijsko gostoto« je prva objava Kemijskega inštituta v tej prestižni reviji, eni izmed dveh najpomembnejših znan-stvenih revij na svetu, in potrjuje vodilno vlogo Odseka za kemijo materialov na tem področju. Z uporabo različnih metod smo pokazali, da lahko v določenih primerih v elektrokemijsko reakci-jo reverzibilno vstopa tudi kisikova podmreža v kristalni strukturi. S tem se znatno poveča celotna speciična kapaciteta oziroma reverzibilno shran-jena energija. Rezultati predstavljajo pomem-ben korak k prehodu v družbo, ki bo neodvisna od fosilnih goriv, in so v skladu s smernicami o zmanjševanju toplogrednih plinov. Pomembnost in širina raziskav na tem področju sta podkreplje-ni še s člankoma v revijah JACS in Chemistry of Materials.

Poleg tega smo znanstveno odličnost potrdili tudi s številnimi objavami v drugih uglednih mednarod-

Our research is aimed at the education and pro-fessional development of young intellectuals. We are particularly proud of our education activity, which is notable for the high number of young PhD students who are generating new knowledge in our laboratories. There were as many as 71 such students in 2015, or more then one ifth of our employees. This is an important demonstration of the Institute’s mission – to transfer knowledge to younger generations. It also proves that we are a major Slovenian academic institution for doctoral education and training.

The Institute’s main mission is to acquire new knowledge in chemistry and related sciences. We have proven our scientiic excellence with numer-ous articles published in prestigious magazines, most notably the article written in collaboration with College de France on research into new materials for modern battery systems published in Science magazine. The article entitled “Visual-ization of O-O peroxo-like dimers in high-capac-ity layered oxides for Li-ion batteries” is the irst publication of the National Institute of Chemistry in this prestigious magazine, which is one of the top two scientiic magazines in the world and as such conirms the leading role of the Department for Materials Chemistry in this ield. Using various methods, we have proven that in speciic cases the oxygen sublattice in a crystal structure can revers-ibly enter the electrochemical reaction. This con-siderably increases the overall speciic capacity or the reversibly stored energy. These results are an important step towards the transition to a society that is independent of fossil fuels and are compli-ant with guidelines on the reduction of greenhouse gas emissions. The importance and the breadth of research in this ield are further supported with the articles published in JACS and Chemistry of Materials.

Kemijski inštitut je ena od najpomembnejših slovenskih akademskih

inštitucij. Njegovi sodelavci že leta odkrivamo neznano na področju kemije in sorodnih ved.

The National Institute of Chemistry is one of the most important Slovenian academic institutions. Its employees have been discovering the unknown in chemistry and related sciences for many years.

Uvodna beseda direktorjaDirector’s Introduction

5

nih publikacijah. Sodelavec Odseka za sintezno biologijo in imunologijo je sodeloval v raziska-vah, ki so bile objavljene v reviji Cell Metabolism. Izpostaviti je treba še tri članke v Angewandte Chemie, ki pokrivajo ostala področja, na katerih delujejo raziskovalni odseki na Kemijskem inšti-tutu. Tako so sodelavci Odseka za analizno kemijo sodelovali pri razvoju novega antibiotika proti najodpornejšim patogenim sevom, sodelavci Odse-ka za anorgansko kemijo in tehnologijo so razvili novo metodo, s katero lahko določujejo prostorsko porazdelitev različnih organskih molekul, ki tvorijo ogrodja v kovinsko-organskih materialih, sodelav-ci NMR-centra pa so na osnovi NMR-eksperimen-tov pokazali, da ima zaporedje z gvanini bogatega segmenta DNA zelo velik vpliv na polimorfno naravo tvorjenih G-kvadrupleksov in s tem na nji-hove morebitne iziološke vloge. Objavljenih je bilo tudi več preglednih člankov, med katerimi je treba izpostaviti članek Odseka za analizno kemijo v Chemical Reviews na temo identiikacije organskih spojin v atmosferi in članek Odseka za molekular-no biologijo in nanobiotehnologijo v Accounts of Chemical Research na temo vpliva lipidnih mem-bran na delovanje proteinov. Obe reviji sta med najbolj uglednimi znanstvenimi revijami s področ-ja kemije in sorodnih ved.

Tretje pomembno poslanstvo inštituta je prenos znanja v industrijsko okolje. Naše ekspertize vkl-jučujejo v svoje raziskave slovenska in tuja podjet-ja. Še posebej veseli dejstvo, da se je obseg sodelo-vanja z domačo, predvsem pa tujo industrijo v letu 2015 povečal. Sodelujemo z nekaterimi najpomem-bnejšimi tujimi podjetji, med drugim s področja avtomobilske in nanobiotehnološke industrije. Uspešno izvedene raziskave in zadovoljstvo naših poslovnih partnerjev sta pomembna kazalnika, da smo na pravi poti. S pogovori z industrijskimi partnerji pa načrtujemo izboljšanje tovrstnega sodelovanja v prihodnje.

Verjamemo, da je znanost tisto področje delovanja slovenske družbe, ki bo našo državo v svetu naredi-lo prepoznavno kot odlično in zanesljivo partnerico v mednarodnih projektih. Na Kemijskem inštitutu se bomo še naprej trudili, da bomo v prvih vrstah kot nosilci razvoja, napredka in blaginje naše družbe.

We also demonstrated our scientiic excellence with numerous contributions published in other repu-table international journals. An employee of the Department for Synthetic Biology and Immunolo-gy participated in research that was published in Cell Metabolism. In addition, Angewandte Chemie published three articles that cover other ields in which the Institute’s research departments are ac-tive. The Department for Analytical Chemistry col-laborated on the development of a new antibiotic for the most resistant pathogenic strains, while the Department for Inorganic Chemistry and Technol-ogy developed a new method for determining the spatial distribution of various organic molecules that form frameworks in metal-organic materi-als. Through NMR experiments, the NMR Centre showed that a sequence of a guanine-rich DNA segment can have a major impact on the polymor-phic nature of the G-quadruplexes formed and thus their potential physiological roles. Several review articles were published, among them the Depart-ment for Analytical Chemistry’s article in Chemical Reviews on identiication of organic compounds in the atmosphere and the Department for Molecular Biology and Nanobiotechnology’s article in Ac-counts of Chemical Research on the impact of lipid membranes on the functioning of proteins. These journals are among the top most reputable scien-tiic journals in the ield of chemistry and related sciences.

The third important mission of the Institute is the transfer of knowledge into an industrial environ-ment. Slovenian and foreign companies rely on our scientiic reports for their own research. We are particularly pleased by the increase in the extent of cooperation with domestic and especially foreign industry in 2015. We work with some of the most important foreign companies in the automotive and nanobiotechnological industries, among oth-ers. The successfully completed research projects and the satisfaction of our business partners are important indicators that we are on the right track. We are planning to further strengthen this kind of collaboration in the future through discus-sions with industrial partners.

In terms of Slovenian society’s output, we believe science is what will make our country globally recognisable as an excellent and reliable partner for international projects. Here at the National Institute of Chemistry, we will keep doing our best in leading the way for the development, progress, and prosperity of our society.prof. dr. Gregor Anderluh


Raziskovalni sektor Sektor skupnih družb

Področje za splošne zadeve

Področje za ekonomsko inančne zadeve

Sistem kakovosti

Znanstveni svet Direktorjeva pisarnaDirektor

UpRavni oDboR

Organizacijska shema / Organizational scheme

L10 | Laboratorij za kemijo materialov

L11 | Laboratorij za molekularnobiologijo in nanobiotehnologijo

L12 | Laboratorij za biotehnologijo

L13 | Laboratorij za katalizo in reakcijsko inženirstvo

L14 | Laboratorij za strukturo biomolekul

L15 | (nMR) nacionalni center za nMR spektroskopijo visoke ločljivosti

L16 | (CvTa) Center za validacijske tehnologije in analitiko

L17 | Laboratorij za molekularno modeliranje

L01 | Laboratorij za računalniške bioznanosti in bioinformatiko

L03 | Laboratorij za kemometrijo

L04 | Laboratorij za analizno kemijo

L05 | Laboratorij za okoljske vede in inženirstvo

L06 | Laboratorij za prehrambeno kemijo

L07 | Laboratorij za polimernokemijo in tehnologijo

L09 | Laboratorij za anorganskokemijo in tehnologijo

VODSTVO / MANAGEMENTDirektor / Director

akademik prof. dr. Janez LEvEC (v. d. direktorja / Acting Director, do/until 4. 11. 2015)prof. dr. Gregor anDERLUH (od/from 5. 11. 2015)

Pomočniki direktorja / Assistant directorsUrška MIHELJAK ŽABOT (odsotna/absent)Mitja ČERMELJ Urša JERŠE (v. d. pomočnice direktorja / Acting Assistant Director, do/until 2. 3. 2015)Tanja ŠaRabon (v. d. pomočnice direktorja / Acting Assistant Director, od/from 3. 3. 2015)

ČLANI UPRAVNEGA ODBORA / BOARD OF GOVERNORSdr. Aleš Mihelič, predsednik/ presidentdr. Marta Svoljšak Jerman, podpredsednica / vice-president (do/until 1. 7. 2015)dr. Gorazd Hribar, podpredsednik/ vice-president (od/from 18. 9. 2015)prof. dr. Janvit Golobprof. dr. Slobodan Žumer (od/from 9. 2. 2015)dr. andrej Horvat (od/from 2. 9. 2015)

Vodstvo inštituta / Institute Management

7

L10 | Laboratory for Materials Chemistry

L11 | Laboratory for Molecularbiology and nanobiotechnology

L12 | Laboratory of biotechnology

L13 | Laboratory for Catalysis and Chemical Reaction Engineering

L14 | Laboratory of biomolecular Structure

L15 | Slovenian nMR Centre

L16 | Centre for validation Technologies and analytics

L17 | Laboratory for Molecular Modeling

L01 | Laboratory for biocomputing and bioinformatics

L03 | Laboratory of Chemometrics

L04 | analytical Chemistry Laboratory

L05 | Laboratory for Environmental Sciences and Engineering

L06 | Laboratory for Food Chemistry

L07 | Laboratory for polymer Chemistry and Technology

L09 | Laboratory for inorganicChemistry and Technology

ČLANI ZNANSTVENEGA SVETA /SCIENTIFIC COUNCILprof. dr. Simona Golič Grdadolnik, predsednica / presidentdoc. dr. Robert Dominko, podpredsednik / vice-presidentakademik prof. dr. Janez Levec (član po funkciji do /Member by function until 4. 11. 2015)prof. dr. Gregor anderluh (od 4. 11. 2015 član po funkciji/from 4. 11. 2015 Member by function)prof. dr. Miran Gaberščekprof. dr. Roman Jeralaprof. dr. Janez Mavridoc. dr. Franci Merzel (od /from 15. 12. 2015)prof. dr. Janez plavecprof. dr. nataša Zabukovec Logardr. Ema Žagar

ČASTNI ČLANI / HONORARY MEMBERSprof. dr. Tihomir NOVAKOV, od / from 19. 12. 1986 prof. dr. Walter STEINER, od / from 15. 6. 1994 prof. dr. John R. HELLIWELL, od / from 21. 10. 1996 prof. dr. Joachim MAIER, od / from 17. 4. 1996 akademik prof. dr. Dušan HADŽI, od / from 9. 10. 2001 prof. dr. Joseph WANG, od / from 15. 6. 2007 prof. dr. Milan RANDIĆ, od / from 27. 9. 2007

Zaslužni raziskovalci Kemijskega inštituta / Researcher Emeritus of the Institute of Chemistry akad. prof. dr. Dušan Hadži (20. 6. 2011) prof. dr. Jure Zupan (20. 6. 2011) dr. Božidar Ogorevc (19. 12. 2012) prof. dr. Venčeslav Kaučič (26. 2. 2014) prof. dr. boris orel (28. 5. 2014)

Raziskovalni sektor General Sector

General and Legal Matters

Finance and accounting

Quality System

Scientiic Council Director’s OiceDirector

boaRD oF GovERnoRS


Pregled poslovanja inštituta

v letu 2015 se je nadaljevalo zmanjševanje obsega javnih sredstev, namenjenih za raziskovalno dejavnost, kar je nadalje zaznamovalo poslovanje Kemijskega inštituta. v tem letu je Kemijski inštitut okrepil sodelovanje z industrijo in pridobil več projektov EU, kar je povečalo obseg sredstev, pridobljenih na trgu. na inštitutu se vseskozi prilagajamo trendu zmanjševanja obsega javnih sredstev, počasi rastočemu obsegu opravljenih raziskovalnih storitev za domače naročnike z omejevanjem rasti stroškov ter planiranemu zniževanju stroškov tudi v prihodnjem letu. prav zaradi tega smo tudi v letu 2015 še naprej uspešno pridobivali projekte, inancirane s strani Evropske unije, in sodelovali z domačimi ter tujimi industrijskimi partnerji.

Inštitut je leto 2015 zaključil s presežkom prihodkov nad odhodki po davkih v višini 3.088 €, upoštevajoč presežek prihodkov iz prejšnjih let, namenjen pokritju odhodkov obračunskega

obdobja, ki so znašali 140.691 €. Dosežen poslovni rezultat inštituta je predvsem posledica presežka prihodkov nad odhodki iz naslova prodaje blaga in storitev na trgu, ki je znašal 2.476 €, z upoštevanjem davka od dohodkov pravnih oseb. inštitut je v letu 2015 realiziral celotne prihodke v višini 14.505.249 €, brez upoštevanja presežka prihodkov iz prejšnjih let, namenjenih pokritju odhodkov obračunskega obdobja, kar predstavlja nominalno 1,6-odstotno zmanjšanje glede na leto 2014, predvsem na račun zaključevanja programov in projektov konec leta 2014. inštitut je v letu 2015 realiziral celotne odhodke v višini 14.633.474 €, kar v primerjavi z letom 2014 predstavlja 0,6-odstotno zmanjšanje. Gibanje stroškov sledi realiziranim prihodkom.

pRiHoDKi v € 2015 2014Struktura 2015 (%)

inDEKS 2015/2014

Raziskovalni programi 4.082.119 4.626.370 28 88

infrastrukturni programi 591.067 743.106 4 80

Raziskovalni projekti 1.539.437 1.342.117 10 115

Soinanciranje aplikativnih projektov 119.463 189.072 1 63

ustanoviteljske obveznosti 1.853.115 1.930.080 12 96

Mladi raziskovalci 1.302.067 1.520.095 9 86

Domači trg 2.179.844 2.121.368 15 103

tuji trg 1.710.043 1.010.452 12 169

Drugi prihodki 1.268.785 1.338.424 9 95

SKUPAJ PRIHODKI 14.645.940 14.821.084 100 99

oDHoDKi v € 2015 2014Struktura 2015 (%)

inDEKS 2015/2014

Stroški materiala -2.006.000 -2.051.958 14 98

Stroški storitev -2.761.806 -2.674.507 19 103

Amortizacija -1.638.296 -1.579.537 11 104

Stroški dela -8.077.345 -8.290.704 55 97

Drugi odhodki -150.027 -131.898 1 114

SKUPAJ ODHODKI -14.633.474 -14.728.606 100 99

REZULTaT poSLovanJa 12.466 92.478 - 13

9

Overview of Institute Operations

In 2015, the reduction of the public funds intended for research activities continued, which further characterized the operations of the National Institute of Chemistry. However, in 2015, the National Institute of Chemistry strengthened its cooperation with the industry and its eforts to obtain EU projects, which increased the scope of funds obtained on the market. The institute is constantly adapting to the trend of the reduction of public funds and the slow growth in research services performed for Slovenian clients by limiting cost growth and planning the reduction of costs for the following year. Due to the above, in 2015 we continued successfully obtaining projects inanced by the European Union and cooperating with Slovenian and foreign industrial partners.

The institute concluded 2015 with an excess of revenues over expenses after tax in the amount of €3,088, taking into account the revenue surplus from previous years intended to cover

expenses for this accounting period amounting to €140,691. The operating result achieved is primarily due to the excess of revenues over expenses in the sale of goods and services on the market amounting to €2,476, taking into account corporate income tax. The institute’s total revenues for 2015 amounted to €14,505,249, excluding the excess of revenues from previous years intended for covering the expenses from this accounting period, which represents a nominal 1.6% decline compared to 2014 mainly due to the fact that programs and projects ended at the end of 2014. In 2015, the institute realised expenses in the total amount of €14,633,474, representing a 0.6% decrease compared to 2014. The trend of costs was in accordance with the realized revenues.

REvEnUES in € 2015 2014Structure 2015 (%)

inDEX 2015/2014

research programmes 4,082,119 4,082,119 28 88

infrastructure programmes 591,067 743,106 4 80

research projects 1,539,437 1,342,117 10 115

Co-inancing of applied projects 119,463 189,072 1 63

Founder’s obligations 1,853,115 1,930,080 12 96

early-stage researchers 1,302,067 1,520,095 9 86

Domestic market 2,179,844 2,121,368 15 103

Foreign market 1,710,043 1,010,452 12 169

other revenues 1,268,785 1,338,424 9 95

TOTAL REVENUES 14,645,940 14,821,084 100 99

EXpEnSES in € 2015 2014Structure 2015 (%)

inDEX 2015/2014

Costs of materials -2,006,000 -2,051,958 14 98

Costs of Services -2,761,806 -2,674,507 19 103

Depreciation and amortisation -1,638,296 -1,579,537 11 104

labour Costs -8,077,345 -8,290,704 55 97

other expenses -150,027 -131,898 1 114

TOTAL EXPENSES -14,633,474 -14,728,606 100 99

opERaTinG RESULT 12,466 92,478 - 13


Pridobljeni in zaključeni raziskovalni projekti

V letu 2015 je inštitut:

• Kot projektni koordinator pričel izvajati H2020 projekt HELIS v skupni vrednosti 7.97 mio € (vrednost projekta za Ki je 1.030.674 €);

• Pričel izvajati še štiri H2020 projekte (NextBioPharmDSP, Adrem, Tollerant in Nanorestart). Skupna vrednost projektov znaša 25.407.302,13 €, od tega je vrednost projektov za KI 2.134.636,37 €. Prvi projekt H2020 programske sheme MefCO2 se je pričel izvajati decembra 2014, traja 4 leta, njegova pogodbena (in soinancirana) vrednost za Kemijski inštitut pa znaša 1.195.300 €;

• Kot koordinator vodil evropski strateški projekt DeFishGear v skupni višini 5,3 mio € (vrednost projekta za KI 675.112 €, od tega 641.357 € soinanciranih). Projekt se je podaljšal do 30. 9. 2016. prihodki v letu 2015 so znašali 249.529,43 €;

• Koordiniral izvajanje projekta EUROLIS, 7. okvirnega programa EU v skupni vrednosti 3,9 mio € (vrednost projekta za KI je 782.630 €, od tega soinanciranih 633.830 €). Prihodki v letu 2015 so znašali 205.784,47 €;

• Sodeloval pri treh projektih 7. okvirnega programa EU (Cosmos, Euroliion, Necso). prihodki so v letu 2015 znašali 331.914 €;

• Zaključil dva projekta 7. okvirnega programa (Cosmos in Euroliion), soinancirane vrednosti v letu 2015 v višini 24.806,84 €;

• izvajal projekt ERA-NET ERASynBio. projekt se je začel izvajati 15. 9. 2014 in traja 3 leta. Vrednost projekta je 450.000 €, od tega 400.000 € za Kemijski inštitut. prihodki v letu 2015 so znašali 155.439,95 €;

• nadaljeval izvajanje projekta iz sheme nEWFELpRo - Aeronar, ki se je začel izvajati 2014. projekt se 2 leti izvaja na Ki. vrednost projekta za Kemijski inštitut v letu 2015 znaša 45.555,17 €;

• izvajal projekt Life project Prosil s prihodki v letu 2015 v višini 52.930,84 €;

• izvajal dva naTo projekta (DURAPEM Novel Materials for Durable Proton Exchange Membrane Fuel Cells, Enhanced Portable

Energetically Self-sustained Devices for Military Purposes). Skupna vrednost projektov za Kemijski inštitut je 342.150 €. projekta bosta trajala 3 leta;

• Dobil za inanciranje odobrenih 17 projektov ARRS, ki so se pričeli izvajati s 1. 1. 2016:• 15 temeljnih projektov (7 kot nosilec)

z ocenjenimi prihodki na letni ravni 686.692,10 €;

• 2 nova podoktorska projekta s prihodki na letni ravni v višini 106.284 €. v letu 2015 KI ni zaključil nobenega temeljnega in aplikativnega projekta. Zaključil pa je dva podoktorska projekta s prihodki v višini 53.142 € (106.284 € prihodkov letno);

• Zaključil projekt Raziskovalci na začetku kariere v okviru operativnega programa razvoja človeških virov za obdobje 2007–2013 iz sredstev Evropskega socialnega sklada. pri projektu je sodelovalo 11 podoktorskih raziskovalcev. prihodki v letu 2015 so znašali 268.224 €;

• Zaključil projekt Obnova prizidka KI. Prihodki v letu 2015 so znašali 2.077.972,79 €;

• Zaključil projekt Obnova stare stavbe KI. Prihodki v letu 2015 so znašali 1.626.619,53 €.

V letu 2015 je inštitut kot projektni koordinator

pričel izvajati

H2020 projekt HELIS v skupni vrednosti

7.97 mio €.

In 2015, the Institute as project coordinator started

H2020 project HELIS, in total amount of

€7.97m.

11

Research Projects Acquired and Completed

In 2015, the Institute:

• as project coordinator started implementation of the H2020 project HELIS in the total amount of €7.97 m (the value of the project for the institute is €1,030,674 €);

• Started performing four new H2020 projects NextBioPharmDSP, Adrem, Tollerant and Nanorestart. The total projects value is €25,407,302.13 (the value of the projects for the Institute is €2,134,36.37). The implementation of the irst H2020 project MefCO2 started in December 2014, will last for 4 years, and its contractual (and co-inanced) value for the national institute of Chemistry amounts to €1,195,300;

• Managed, as project coordinator, the European strategic project DeFishGear in the total amount of €5.3m (the value of the project for the institute is €675,112, of which €641,357 is co-inanced). The project was extended until 20 September, 2016. Revenues in 2015 equaled €249,529.43;

• Coordinated the implementation of the EUROLIS project as part of the 7th Framework programme of the European Community in the total amount of €3.9m (the value of the project for the institute is €782,630, of which €633,830 is co-inanced). Revenues in 2015 equaled €205,784.47;

• participated in 3 projects of the EU 7t Framework programme (Cosmos, Euroliion, Necso). In 2015, revenues equaled €331,914;

• Completed two project of the 7th Framework programme (Cosmos and Euroliion) with a co-inanced value in 2015 in the amount of €24,806.84;

• performed the ERA-NET ERASynBio project. The implementation of the project began on 15 September, 2014 and it will last for 3 years. The project value is €450,000, of which €400,000 are for the national institute of Chemistry. Revenues in 2015 equalled €155,439.95;

• We continued the project from the nEWFELpRo scheme - Aeronar which started in 2014. The

project will be performed for 2 years at the national institute of Chemistry. The value of the project for the national institute of Chemistry in 2015 amounts to €45,555.17;

• performed the Life project Prosil with revenues in 2015 in the amount of €52,930.84;

• performed two naTo projects (DURAPEM- Novel Materials for Durable Proton Exchange Membrane Fuel Cells and Enhanced Portable Energetically Self-sustained Devices for Military Purposes) in the total amount of € 342,150 for the institute;

• In 2015, the Institute got funding for 17 projects of the Slovenian Research Agency (projects that started on 1 January, 2016):• 15 basic projects (7 as developer) with

estimated annual revenues in the amount of €686,692.10;

• 2 new postdoctoral projects with annual revenues in the amount of €106,284. In 2015, the national institute of Chemistry did not complete any basic and applied projects. it completed two postdoctoral projects with 2015 revenues in the amount of €53,142 (€106,284 annual revenues);

• Completed the Researchers at the Start of their Career project as part of the operational programme for Human Resources Development for the 2007-2013 period inanced with funds from the European Social Fund. 11 postdoctoral researchers took part in the project. Revenues in 2015 equaled €268,224;

• The project of renovating the extension to the national institute of Chemistry was completed. Revenues in 2015 equaled €2,077,972.79;

• The project of renovating the old building of the national institute of Chemistry was completed. Revenues in 2015 equaled €1,626,619.53.


Investicije

V letu 2015 je inštitut v osnovna sredstva investiral 4.874.362 €. Investicije je omogočilo tudi uspešno pridobivanje zunanjih virov inanciranja. V tem letu sta se zaključila projekta obnove prizidka in stare stavbe Kemijskega inštituta. Vrednost obnove prizidka Kemijskega inštituta je znašala 2.077.973 €, vrednost obnove stare stavbe Kemijskega inštituta pa 1.626.620 €. Obe obnovi sta bili soinancirani s strani resornega ministrstva – sredstva Evropskega sklada za regionalni razvoj v višini 85 % in Republike Slovenije v višini 15 % pridobljenih sredstev.

V letu 2015 je inštitut v opremo investiral 3.147.083 €, od tega v raziskovalno opremo 2.096.664,21 €. Vrednost investicij v nepremičnine je bila 1.719.526 €, drugih investicij je bilo za 7.753 €.

Novo raziskovalno opremo večje vrednosti predstavljajo predvsem:

• kvarterna črpalka, razplinjevalec in vzorčevalnik,• instrument za karakterizacijo katalizatorjev,• oprema GC-FID-MS, • detektor na statično sipanje svetlobe Dawn Heleos,• konfokalni mikroskop biostation Leica.

13

InvestmentsIn 2015, the Institute invested €4,874,362 in ixed assets. The successful acquisition of external inancial resources contributed to making these investments possible. During the year, the projects of renovating the extension to and the old building of the national institute of Chemistry were completed. The value of the renovation of the extension to the national institute of Chemistry amounted to €2,077,973 and the value of renovation of the old building of the Institute amounted to €1,626,620. Both renovations were co-inanced by the relevant ministry – funding from the European Regional Development Fund in the amount of 85 % of funds and from the Republic of Slovenia in the amount of 15 % were raised.

In 2015, the Institute invested €3,147,083 in equipment, of which investments into research equipment amounted to €2,096,664.21. The value of the investments into real estate was €1,719,526 and other investments amounted to €7,753.

Some of our new acquisitions of research equipment of greater value are:

• quaternary pump, degasser and sampler,• instrument for characterizing catalysts,• equipment GC-FID-MS, • Dawn Heleos static light scattering detector,• biostation Leica confocal microscope.

V letu 2015 je inštitut v osnovna sredstva investiral

4.874.362 €.

In 2015, the Institute invested €4,874,362 in ixed assets.

Mednarodno sodelovanje 2015 / International Cooperation in 2015

ZDA / USA

3

2 Francija / France

Argentina/ Argentina

2

6 Hrvaška / Croatia

2 Srbija / Serbia


Bilateralno SodelovanjeBilateral Cooperation 2015

25Skupno / Total

3

1 Rusija / Russia

2

15

7. okvirni program eU / eU 7th Framework program 3

eu obzorje2020 projekti / eu Horizon2020 6

neWFelpRo 1

transnacionalni program eu / eu transnational cooperation programme

1

Central europe projekti / Central europe project 0

Jadranski čezmejni strateški projekt ipA/ ipA Adriatic Cross-border Cooperation project

1

life+ projekt/ life+ project 1

eRA-net 1

the science of peace and Security programme (SpS) 2

Japonska / Japan

Kitajska / China

1Indija / India

3Turčija / Turkey

Multilateralno SodelovanjeMultilateral Cooperation

16Skupno / Total


Zaposleni in izobraževanjeŠtevilo zaposlenih na Kemijskem inštitutu se je v letu 2015 zaradi novih sodelavcev v raziskovalnem sektorju, zaposlenih pri na novo pridobljenih projektih ter zaradi nadomeščanja porodniških dopustov v splošnem sektorju, z 287 povečalo na 301. Glede na leto 2014 se je število slednjih povečalo za 11, število zaposlenega administrativnega osebja (zaposlenih v sektorju skupnih služb) pa se je zaradi porodniških odsotnosti povečalo za 3.

Leta 2015 je na Kemijskem inštitutu začelo delati 12 novih mladih raziskovalcev, usposabljanje pa je zaključilo 15 mladih raziskovalcev.

Konec leta 2015 je bilo na Kemijskem inštitutu število zaposlenih 301, od tega 136 doktorjev znanosti, 4 magistri, 128 visoko izobraženih, 10 višje izobraženih in 23 srednje ali nižje izobraženih.

v tujih raziskovalnih organizacijah se je dlje od meseca dni usposabljalo 16 zaposlenih na inštitutu. Z inštitutom je v letu 2015 sodelovalo 41 gostujočih raziskovalcev in 10 tujih študentov, 7 tujih raziskovalcev pa se je v letu 2015 na inštitutu zaposlilo.

Število zaposlenih na dan 31. 12. 2015 / number of employees on 31 December 2015 301

Število sklenjenih pogodb o zaposlitvi / number of employment contracts 57

Število prenehanj delovnega razmerja / number of terminations of employment 42

Število mladih raziskovalcev / early-stage researchers 47

Število zaključenih šolanj mladih raziskovalcev / number of early-stage researchers who completed training 15

Število usposabljanj v tujini (več kot mesec dni) / number of trainings abroad (lasting over a month) 16

Število sodelujočih tujih raziskovalcev / number of participating foreign researchers 51

Število zaposlitev tujih raziskovalcev v letu 2015 / number of foreign researchers employed in 2015 7

tabelarični prikaz podatkov o zaposlenih / employee igures

Employees and EducationThe number of employees at the national institute of Chemistry grew from 287 to 301 in 2015, due to replacements for maternity leaves in the general sector and new associates in the research sector employed on newly acquired projects. Compared to 2014, the number of the latter increased by 11 and the number of administrative staf (employees in the joint services sector) increased by 3 due to maternity leaves.

12 new early-stage researchers started working and 15 early-stage researchers completed their training at the national institute of Chemistry in 2015.

At the end of 2015, the National Institute of Chemistry employed 301 people, of which 136 had a PhD, three had an MSc, 128 had higher education, 10 had higher vocational education and 23 had secondary education or lower.

16 institute employees underwent training at foreign research organisations lasting more than one month. 41 visiting researchers and 10 foreign students collaborated with the institute and 7 foreign researchers obtained employment at the institute in 2015.

17

Družbena odgovornost Kemijski inštitut je kot pridruženi član v pobudi Združenih narodov Global Compact tudi v letu 2015 potrdil zavezo družbeni odgovornosti.

S pridruženim članstvom smo se prostovoljno obvezali, da bomo spoštovali in promovirali temeljna načela družbene odgovornosti.

v okviru izboljševanja pogojev ter urejenosti in učinkovitosti dela smo tudi letos podaljšali veljavnost certiikatov:

• ISO 9001,• JAZMP certiikat »CERTIFICATE OF GMP

COMPLIANCE OF A MANUFACTURER«,• certiikat European Green oice (EGO) –

Evropska zelena pisarna, ki potrjuje, da Kemijski inštitut dosega zahteve osnovne stopnje dobre okoljske prakse v pisarniški dejavnosti po merilih EGo.

Social Responsibility In 2015, the National Institute of Chemistry continued to airm its commitment to social responsibility as an associate member in the United nations Global Compact initiative.

With associate membership, we have voluntarily undertaken to respect and promote the fundamental principles of social responsibility.

as part of the improvement of conditions and the regularity and eiciency of work, we have once again extended the validity of the following certiicates:

• ISO 9001,• JAZMP certiicate »CERTIFICATE OF GMP

COMPLIANCE OF A MANUFACTURER«,• European Green Oice (EGO) certiicate,

which conirms that the National Institute of Chemistry meets the requirements of the basic level of good environmental practice in oices according to the EGO criteria.

4MaGiSTERiJ /

MSC

301 SKUPAJ / TOTAL

136DoKToRJi

ZnanoSTi /no. oF pHDS

57viSoKa iZobRaZba /HiGHER EDUCaTion

23oSTaLi / REST

10viŠJa /

HiGHER voCaTionaL

Izobrazbena struktura zaposlenih na dan 31. 12. 2015Educational structure of employees on 31. December 2015

71DoKToRSKi ŠTUDEnTJE /

phD STUDEnT


DOKTORATI / DOCTORAL THESES V LETU 2015

Rok Gaber l12 5. 1. 2015

urška Zelenko l14 27. 2. 2015

emanuela Žunkovič l09 10. 3. 2015

Barbara pogorelčnik l01 10. 4. 2015

Vida lapornik l10 5. 5. 2015

Maša Horvat l10 5. 5. 2015

Renata Kaplan l05 6. 5. 2015

Miha Grilc l13 2. 7. 2015

Lučka Brulc l06 14. 7. 2015

Andraž pavlišič l10 8. 9. 2015

Anže Smole l12 11. 9. 2015

Mitja linec l13 9. 10. 2015

Katerina naumoska l06 12. 10. 2015

rok Martinčič l03 30. 10. 2015

Gregor Žerjav l05 20. 11. 2015

Gregor ilc l15 30. 11. 2015

Marjeta čepin l10 7. 12. 2015

Julija Zavadlav l17 10. 12. 2015

Mohor Mihelčič l10 16. 12. 2015

Jure Borišek l03 21. 12. 2015

Doktorati, magisteriji in diplome v letu 2015Doctoral, Master’s and Graduate Theses in year 2015

Graični prikaz: Doktorati, magisteriji in diplome v letih 2003 - 2015.Graphical representation: Ph.D., M.Sc. and B.Sc. Theses in years 2003 - 2015.

100

80

60

40

20

0

2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014

40

49 51

33

46

50

62 60

92

72

91

69

2015

73

19

ŠTEVILO DIPLOM, MAGISTERIJEV, DOKTORATOV, MENTORSTEV IN KOMENTORSTEV S STRANI ZAPOSLENIH NA KI / NUMBER OF B.Sc., M.Sc., Ph.D. THESES, MENTORSHIPS AND COMENTORSHIPS BY EMPLOYEES OF NIC

31 diplom / Undergraduate theses

16 magisterijev / Master's theses

26 doktoratov / Doctoral theses

19 mentorstev pri diplomah / Mentorships of Undergraduate theses

9 mentorstev pri magisterijih / Mentorships of Master's theses

21 mentorstev pri doktoratih / Mentorships of Doctoral theses

12 somentorstev pri diplomah / Comentorships of Undergraduate theses

7 somentorstva pri magisterijih / Comentorships of Master's theses

7 somentorstev pri doktoratih / Comentorships of Doctoral theses

Objave in citiranost v letu 2015V letu 2015 Kemijski inštitut beleži 291 objav, ki zajemajo članke, knjige, poglavja in patente. Povprečni faktor vpliva revij, v katerih so v letu 2015 objavljali raziskovalci Kemijskega inštituta, je znašal 4,394, kar predstavlja znatno izboljšanje glede na preteklo leto. Povprečno mesto v letu 2015, ki ga zaseda revija na določenem področju, je bilo 23, kar prav tako izkazuje izboljšanje glede na pretekla leta. Citiranost znanstvenih del naših raziskovalcev, ki je pomemben pokazatelj uspešnosti, je v letu 2015 znašala 6806 čistih citatov. Vse to omogoča večjo konkurenčnost pri prijavi mednarodnih in domačih raziskovalnih projektov ter večjo prepoznavnost v raziskovalnih krogih na posameznih področjih raziskovanja.

Posebej velja izpostaviti dosežke skupine slovenskih znanstvenikov iz Laboratorija za kemijo materialov (L-10), ki so rezultate svojega

Publications and Citations in 2015In 2015, the National Institute of Chemistry recorded 291 publications, including articles, books, chapters and patents. The average impact factor of journals with publications from the national institute of Chemistry’s researchers in 2015 amounted to 4.394 which is a signiicant improvement compared to the previous year. In 2015, the average ranking of a journal in a speciic ield was 23, also representing an improvement compared to the previous year. The citation of the scientiic works of our researchers, which is an important indicator of success, amounted to 6806 citations in 2015. This enables increased competitiveness when applying for international and Slovenian research projects, as well as increased recognisability in research circles in individual areas of research.

We should also especially emphasize the


achievements of a group of Slovenian scientists from the Laboratory for Materials Chemistry (L-10), who published the results of their work in the renowned Science journal (impact factor of 33.6), and the Laboratory of Biotechnology (L-12), which successfully published their work in the Cell Metabolism journal with an impact factor of 17.6.

These exceptional achievements represent a signiicant contribution to the strengthening of the renown of Slovenian scientists around the world.

dela objavili v prestižni reviji Science (faktor vpliva revije znaša 33,6), ter Laboratorija za biotehnologijo (L-12), ki mu je uspela objava v reviji Cell Metabolism s faktorjem vpliva 17,6.

Ta izjemna dosežka predstavljata znaten doprinos k utrjevanju ugleda slovenskih znanstvenikov v svetu.

Leto Št. objavljenih del Povprečni IF Povprečno mesto revije Citiranost

2011 295 3,339 33 5301

2012 311 3,647 23 5990

2013 281 3,095 28 6601

2014 285 3,748 26 6139

2015 291 4,394 23 6806

Objavljena dela v letu (članki, knjige, poglavja, patenti) / Published works by year (articles, books, chapters, patents), average IF, average journal position and number of citations.

Članki, objavljeni v revijah z največjim faktorjem vpliva, so bili: Articles published in journals with the highest impct factor were the following:

IF=33,6 L-10MCCALLA, Eric, ABAKUMOV, Artem M., SAUBANÈRE, Matthieu, FOIX, Dominique, BERG, Erik J., ROUSSE, Gwenaelle, DOUBLET, Marie-Liesse, GONBEAU, Danielle, NOVÁK, Petr, VAN TENDELOO, Gustaaf, DOMINKO, Robert, TARASCON, Jean-Marie. visualization of o-o peroxo-like dimers in high-capacity layered oxides for Li-ion batteries. Science, 2015, vol. 350, no. 6267, str. 1516-1521. [COBISS.SI-ID 5828378]

IF=17,6 L-12SANTORI, Fabio R., HUANG, Pengxiang, PAVERT, Serge A. van de, DOUGLASS, Eugene F., LEAVER, David J., HAUBRICH, Brad A., KEBER, Rok, LORBEK, Gregor, KONIJN, Tanja, ROSALES, Brittany N., ROZMAN, Damjana, HORVAT, Simon, RAHIER, Alain, MEBIUS, Reina E., RASTINEJAD, Fraydoon, NES, W. David, LITTMAN, Dan R. Identiication of natural RORγ ligands that regulate the development of lymphoid cells. Cell Metabolism, 2015, vol. 21, no. 2, str. 286-297. [COBISS.SI-ID 3506824]

Izvirna znanstvena dela / Original scientiic works

21

IF=13,6 L-10TREJO, Orlando, LOGAR, Manca, et al. Quantifying geometric strain at the pbS QD-Tio2 anode interface and its efect on electronic structures. Nano Letters, 2015, vol 15, iss. 12, str. 7829-7836. [COBISS.SI-ID 29021991]

IF=12,1 L-10MCCALLA, Eric, SOUGRATI, Moulay Tahar, ROUSSE, Gwenaelle, JAMSTORP BERG, Erik, ABAKUMOV, Artem M., RECHAM, Nadir, RAMESHA, Kannadka, SATHIYA, Mariyappan, DOMINKO, Robert, VAN TENDELOO, Gustaaf, NOVÁK, Petr, TARASCON, Jean-Marie. Understanding the roles of anionic redox and oxygen release during electrochemical cycling of lithium-rich layered Li4FeSbo6. Journal of the American Chemical

Society, 2015, vol. 137, iss. 14, str. 4804-4814. [COBISS.Si-iD 5685274]

IF=11,3 L-04LEŠNIK, Urška, LUKEŽIČ, Tadeja, PODGORŠEK, Ajda, HORVAT, Jaka, POLAK, Tomaž, ŠALA, Martin, JENKO, Branko, HARMROLFS, Kirsten, OCAMPO-SOSA, Alain, MARTÍNEZ, Luis Martínez, HERRON, Paul R., FUJS, Štefan, KOSEC, Gregor, HUNTER, Iain S., MÜLLER, Rolf, PETKOVIĆ, Hrvoje. Construction of a new class of tetracycline lead structures with potent antibacterial activity through biosynthetic engineering. Angewandte

Chemie, International Edition, 2015, vol. 54, str. 3937-3940. [COBISS.SI-ID 4486520]

IF=11,3 L-09KRAJNC, Andraž, KOS, Tomaž, ZABUKOVEC LOGAR, Nataša, MALI, Gregor. A simple NMR-based method for studying the spatial distribution of linkers within mixed-linker metal-organic frameworks. Angewandte

Chemie, International Edition, 2015, vol. 54, iss. 36, str. 10535-10538. [COBISS.SI-ID 5735962]

IF=11,3 L-15MARUŠIČ, Maja, PLAVEC, Janez. The efect of DNA sequence directionality on G-quadruplex folding. Angewandte Chemie, International Edition, 2015, vol. 54, iss. 40, str. 11716-11719. [COBISS.SI-ID 5780506]

IF=9,3 L-05, L-10ZABILSKY, Maxim, DJINOVIĆ, Petar, TCHERNYCHOVA, Elena, TKACHENKO, Olga P., KUSTOV, Leonid M., PINTAR, Albin. Nanoshaped CuO/CeO2 materials: efect of the exposed ceria surfaces on catalytic activity in n2o decomposition reaction. ACS Catalysis,

2015, vol. 5, iss. 9, str. 5357-5365. [COBISS.SI-ID 5747482]


IF=9,1 L-11FORNELOS, Nadine, BUTALA, Matej, HODNIK, Vesna, ANDERLUH, Gregor, BAMFORD, Jaana K., SALAS, Margarita. bacteriophage GiL01 gp7 interacts with host Lexa repressor to enhance Dna binding and inhibit Reca-mediated auto-cleavage. Nucleic Acids

Research, 2015, vol. 43, issue 15, str. 7315-7329. [COBISS.SI-ID 3520847]

IF=9,1 L-15BRČIČ, Jasna, PLAVEC, Janez. Solution structure of a Dna quadruplex containing aLS and FTD related GGGGCC repeat stabilized by 8-bromodeoxyguanosine substitution. Nucleic

Acids Research, 2015, vol. 43, no. 17, str. 8590-8600. [COBISS.SI-ID 5786906]

Bibliograija inštituta v letu 2015AnALitični poDAtKi (tipologija CoBiSS /laboratoriji)

Dela / Works L01 L03 L04 L05 L06 L07 L09

Članki, monograije, poglavj Articles, monographies, chapters 10 26 24 17 8 13 17

prispevki na konferencah Conference contributions

15 25 28 18 21 34 32

patenti / patents 0 0 0 0 1 1 3

predavanja / Lectures 0 3 1 2 7 0 3

Dokumenti / Documents 0 0 2 17 2 1 0

Doktorati, magisteriji, diplome / PhD, MSc, BSc 0 1 3 0 6 4 3

SKUpaJ / aLL UniTS 28 55 56 66 36 57 58

23

IF=46,6 L-04NOZIÈRE, Barbara, KALBERER, Markus, CLAEYS, Magda, ALLAN, James, D´ANNA, Barbara, DECESARI, Stefano, FINESSI, Emanuela, GLASIUS, Marianne, GRGIĆ, Irena, HAMILTON, Jacqueline F., HOFFMANN, Thorsten, IINUMA, Yoshiteru, JAOUI, Mohammed, KAHNT, Ariane, KAMPF, Christopher J., KOURTCHEV, Ivan, MAENHAUT, Willy, MARSDEN, Nicholas, SAARIKOSKI, Sanna, SCHNELLE-KREIS, Jürgen, SURRATT, Jason D., SZIDAT, Sönke, SZMIGIELSKI, Rafal, WISTHALER, Armin. The molecular identiication of organic compounds in the atmosphere: state of the art and challenges. Chemical Reviews, 2015, vol. 115, iss. 10, str. 3919-3983. [COBISS.SI-ID 5644058]

IF=22,3 L-11ROJKO, Nejc, ANDERLUH, Gregor. How lipid membranes afect pore forming toxin activity. Accounts of Chemical Research, 2015, vol. 48, iss. 12, str. 3073-3079. [COBISS.SI-ID 5833754]

Pregledna znanstvena dela / Review Articles

L10 L11 L12 L13 L14 L15 L16 L17 bRUTo

Dvojniki/trojnikiovER-

LapS

SKUpaJ/aLL

Članki, monograije, poglavjArticles, monographies, chapters 58 18 28 35 1 27 3 34 307 27/2 293

90 28 32 26 6 55 1 23 434 26/2 404

4 2 3 1 0 1 0 0 17 3/1 12

11 5 11 3 0 10 0 5 65 1/0 64

12 0 0 4 1 1 0 0 40 1/0 39

Doktorati, magisteriji, diplome / PhD, MSc, BSc 11 9 18 6 1 3 0 6 75 2/0 73

186 62 92 65 9 96 4 68 936 60/5 885

institute bibliography for 2015AnALYtiCAL DAtA (typology CoBiSS /laboratories)

IF=11,3 L-10FAIVRE, Damien, UKMAR GODEC, Tina. From bacteria to mollusks: the principles underlying the biomineralization of iron oxide materials. Angewandte

Chemie, International Edition, 2015, vol. 54, iss. 16, str. 4728-4747. [COBISS.SI-ID 5677850]


Uspehi, nagrade in priznanja v letu 2015Achievements, awards and recognitions in 2015

preglova nagrada Kemijskega inštituta za izjemne dosežke (22. 6. 2015)

nagrado je prejela dr. Iva Hafner Bratkovič, raziskovalka v Laboratoriju za biotehnologijo, za dosežke na področju razvoja in raziskav bioloških procesov pri nevrodegenerativnih boleznih, zlasti vnetnih procesih, ki prispevajo reaktivne kisikove zvrsti in so sestavni del kompleksne patologije nevrodegeneracije.

dr. Iva Hafner Bratkovič

preglova nagrada Kemijskega inštituta za izjemno doktorsko delo (Ljubljana, 7. 12. 2015)

• dr. Rok Gaber za doktorsko delo Uporaba

sintetičnih DNA vezavnih proteinov za procesiranje informacij in usmerjanje procesov

The pregl award of the national institute of Chemistry for outstanding doctoral work (Ljubljana, 7 December 2015) was awarded to:

• Dr. Rok Gaber for the doctoral work “Use of

Synthetic DNA Binding Proteins for Information

The national institute of Chemistry’s pregel award for Exceptional achievements (22 June, 2015)

The award was awarded to Dr. Iva Hafner

Bratkovič, researcher at the Laboratory of biotechnology for achievements in the area of the development and research of biological processes in neurodegenerative diseases, especially inlammation processes that contribute reactive oxygen species and are an integral part of complex pathology of neurodegeneration.

25

v bioloških sistemih, mentor: prof. dr. Roman Jerala

• dr. Anže Smole za doktorsko delo Umeten

genski regulatorni sistem za zaznavanje in zaviranje vnetja s protivnetnimi proteini v sesalskih celicah, mentor: prof. dr. Roman Jerala

nagrade za inovativnost

Rektorjeva nagrada Univerze v Ljubljani za najinovacijo

(Ljubljana, 24. 3. 2015)

nagrado za najboljšo inovacijo je prejel projekt z naslovom Tiskarska barva za ireverzibilne temperaturne indikatorje z nizko temperaturo aktivacije. Soavtorica zmagovalne inovacije je prof. dr. Marta Klanjšek Gunde (L10).

Ekipa sodelavcev iz Laboratorija za okoljske vede in inženirstvo na Kemijskem inštitutu (dr. Ilja Gasan Osojnik Črnivec, dr. Petar Djinović, prof. dr. Albin Pintar, dr. Boštjan Erjavec) je z inovacijo, katalizatorjem, ki omogoča pretvorbo biološko razgradljivih odpadkov v biogorivo in druge kemikalije z visoko dodano vrednostjo, na inalu evropskega tekmovanja Emerging Technologies Showcase 2015, ki ga letno organizira Royal Society of Chemistry, zasedla tretje mesto.

Srebrno priznanje na Dnevu inovativnosti, ki ga je 16. 9. 2015 organizirala Gospodarska

Processing and Process Directing in Biological Systems”, mentor: Prof. Dr. Roman Jerala

• Dr.AnžeSmole for the doctoral work “A

Synthetic Gene Regulatory Device for Sensing and Suppressing Inlammation by Anti-Inlammatory Proteins in Mammalian Cells”, mentor: Prof. Dr. Roman Jerala

innovation awards

The Rector’s award of the University of

Ljubljana for the best innovation

(Ljubljana, 24 March, 2015)

The award for the best innovation went to the project entitled “Printing Ink for Irreversible Temperature Indicators with Low Activation

Temperature”. Co-author of the awarded innovation is Prof. Dr. Marta Klanjšek Gunde (L10).

The team from the Laboratory for Environmental Sciences and Engineering of the national institute of Chemistry (Dr. Ilja Gasan Osojnik Črnivec, Dr. Petar Djinović, Prof. Dr. Albin Pintar, Dr. Boštjan Erjavec) with their innovation - a catalyst that enables the conversion of biodegradable waste into biofuel and other chemicals with high added value – has won third place at the inals of the European competition Emerging Technologies Showcase 2015 which is annually organised by the RoyalSocietyofChemistry.

Od leve / from left: dr. Anže Smole, prof. dr. Roman Jerala, dr. Rok Gaber


zbornica Slovenije, so prejeli sodelavci Laboratorija za okoljske vede in inženirstvo, in sicer za izum Katalizator in proces za pretvorbo plinskih zmesi metana in ogljikovega dioksida v sintezni plin. avtorji izuma so dr. Gasan Osojnik, dr. Petar Djinović, prof. dr. Albin Pintar in dr. Boštjan Erjavec. poleg omenjenega priznanja so izumitelji s Kemijskega inštituta tudi prejemniki priznanja za najuglasbitev inovacije.

Za ta izum so prejeli tudi zlato priznanje Zbornice osrednjeslovenske regije Gospodarske zbornice Slovenije.

prešernove nagradePrešernova nagrada Univerze v Ljubljani

• Urban bezeljak za magistrsko delo Priprava in optimizacija cepljenih inteinov za nadzorovanje povezovanja proteinskih domen, mentor: prof. dr. Roman Jerala (L12)

Prešernova nagrada Biotehniške fakultete Univerze v Ljubljani

• andreja Šink za magistrsko delo Priprava virusom podobnih delcev z uporabo bakterijskega ekspresijskega sistema/Preparation of virus-like particles in bacterial expression system, mentor: prof. dr. Gregor Anderluh

• Anže Rogelj za magistrsko delo Antioksidanti in

njihova učinkovitost v različnih tkivih invazivnih tujerodnih dresnikov, mentorica: doc. dr. Lea Pogačnik, somentorica: dr. Irena Vovk (L06)

Prešernova nagrada Fakultete za kemijo in kemijsko tehnologijo Univerze v Ljubljani

• Matic Grojzdek za diplomsko delo Hidrodeoksigenacija levulinske kisline z uporabo heterogenega katalizatorja na osnovi niklja in molibdena, mentor: doc. dr. Blaž Likozar (L13)

priznanje prometej znanosti za odličnost v komuniciranju 2015 14. 1. 2016

Prof.dr.SimonHorvat (L12) je prejel priznanje Ustanove Slovenske znanstvene fundacije za vsestranski prispevek k izboljšanju javnega razumevanja ved o življenju, genetike in bioetike.

The Silver Award at the Day of Innovation

organised on 16 September by the Chamber of Commerce and industry of Slovenia was won by the members of the Laboratory for Environmental Sciences and Engineering for the invention “Catalyst and the Process for Converting Gas Mixtures of Methane and Carbon Dioxide into Syngas”. The authors of the invention are Dr.

Gasan Osojnik, Dr. Petar Djinović, Prof. Dr. Albin Pintar and Dr. Boštjan Erjavec. besides the above award, the inventors from the national institute of Chemistry also received the award for the best musical version of the innovation.

For this invention, they also received the Golden Award of the Central Slovenian Chamber of the Chamber of Commerce and Industry of Slovenia.

prešeren awardsThe Prešeren Award of the University of Ljubljana

• - Urban Bezeljak, for the master’s thesis entitled “The Preparation and Optimization of Spliced Inteins for Controlling the Linking of

Protein Domains”, mentor: Prof. Dr. Roman Jerala (L12)

The Prešeren Award of the Biotechnical Faculty of the University of Ljubljana

• - Andreja Šink, for the master’s thesis entitled “The Preparation of Virus-Like Particles in a Bacterial Expression System”, mentor: Prof. Dr. Gregor anderluh

• Anže Rogelj for the master’s thesis “Antioxidants and their Eiciency in Diferent Tissues of Invasive Alien Knotweed Species”, mentor Assist. Prof. Dr. Lea Pogačnik, Co-mentor: Dr. Irena Vovk (L06)

The Prešeren Award of the Faculty of Chemistry and Chemical Technology

• Matic Grojzdek, for the diploma thesis “Hydrodeoxygenation of Levulinic Acid Using a Nickel-based and Molybdenum-based Heterogeneous Catalyst”, mentor: Assist Prof. Dr. Blaž Likozar (L13)

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Zlati znak Jožefa StefanaDr.AljažGodec (L10) je prejel zlati znak Jožefa Stefana za najodmevnejše doktorsko delo na področju naravoslovno-matematičnih ved. Naslov dela: Večdelčne korelacije pri hidrofobnih interakcijah, mentor: prof. dr. Janko Jamnik, somentor: doc. dr. Franci Merzel.

nagrada Maksa Samca za l. 2015

(Fakulteta za kemijo in kemijsko tehnologijo

Univerze v Ljubljani)

nagrado Maksa Samca za doktorsko disertacijo s področja kemije je prejel dr. Matej Huš (L13) za disertacijo z naslovom Teoretične raziskave anomalnih lastnosti tekočin in raztopin, ki jo je opravil pod mentorstvom prof. dr. Tomaža Urbiča.

Krkine nagrade in priznanja (Novo mesto, 16. 10. 2015)

Za posebne dosežke na področju raziskovalnega dela:• dr. Aljoša Bolje (L07) za delo Sinteza in

koordinativne lastnosti novih triazolskih ligandov/Synthesis and coordination properties

of novel triazole-based ligands, mentor: prof. dr. Janez Košmrlj

Za dodiplomske in podiplomske raziskovalne naloge:• dr.BarbaraPogorelčnik za doktorsko

disertacijo Strukturno podprto načrtovanje novih zaviralcev človeške DNA topoizomeraze IIα, mentor: prof. dr. Tomaž Šolmajer (L17), somentor: doc. dr. Andrej Perdih (L01)

• SašaRezelj za magistrsko delo Opredelitev zgradbe in delovanja mutanta listeriolizina O Y406A/Structural and functional characterisation

of listeriolysin O Y406A mutant, mentor: prof. dr. Gregor Anderluh, somentorica doc. dr. Marjetka podobnik (L11)

• dr. Rok Gaber (L12) za doktorsko delo Uporaba sintetičnih DNA vezavnih proteinov za procesiranje informacij in usmerjanje procesov

The 2015 Science prometheus award for Excellence in Communication14 January, 2016

Prof.dr.SimonHorvat(L12) received the award from the Foundation of the Slovenian Scientiic Institute for his universal contribution to the improvement of public understanding of life sciences, genetics and bioethics.

Jožef Stefan Golden EmblemDr.AljažGodec (L10) received the Jožef Stefan Golden Emblem for the most high proile doctoral thesis in the ield nature and math sciences. The title of his work was “Multi-Particle Correlations in Hydrophobic Interactions”, mentor: Prof. Dr. Janko Jamnik, co-mentor: Assist. Prof. Dr. Franci Merzel.

The 2015 Maks Samec award (Faculty of Chemistry and Chemical

Technology, University Of Ljubljana)

The Maks Samec award for doctoral dissertation in the ield of chemistry was won by Dr.

Matej Huš (L13) for his dissertation entitled “Theoretical Research of Anomalous Properties of Liquids and Solutions”, which he made under the mentorship of Prof. Dr. Tomaž Urbič.

Krka awards and Recognitions (Novo mesto, 16 October, 2015)

for special achievements in the research ield:• Dr. Aljoša Bolje (L07) for his work “Synthesis

and Coordination Properties of Novel Triazole-based Ligands”, mentor: Prof. Dr. Janez Košmrlj

for undergraduate and postgraduate research assignments:• Dr.BarbaraPogorelčnik for the doctoral

dissertation: “Structure-Based Design of Novel Human DNA Topoisomerase II[alpha] Inhibitors”, mentor: Prof. Dr. Tomaž Šolmajer (L17), co-mentor: Assist. Prof. Dr. Andrej Perdih (L01)


v bioloških sistemih, mentor: prof. dr. Roman Jerala (L12)

• UrškaSlapšak za diplomsko delo z naslovom Določanje struktur apo in holo oblik CaM-domene α-aktinina 1 z jedrsko magnetno resonanco, mentor prof. dr. Janez Plavec (NMR)

Zlata medalja za slovenske dijake na tekmovanju iGEM 2015 (Boston, ZDA, september 2015)

Ekipa osmih slovenskih dijakov je skupaj z mentorji s Fakultete za kemijo in kemijsko tehnologijo (FKKT, UL) in Laboratorija za okoljske vede in inženirstvo Kemijskega inštituta pripravila projekt proizvodnja biogoriva iz organskih odpadkov, s katerim je osvojila zlato medaljo.

DrugoDr.StankoHočevar (L13) je oktobra 2015 s strani Ministrstva za obrambo RS prejel srebrno medaljo za znanstvenoraziskovalne dosežke »Fridolin Kavčič« za znanstvene in strokovne prispevke na področju vojaških veščin ter področij dela, ki zagotavljajo uspešnejše uresničevanje vojaških nalog.

Vodja Laboratorija za kemijo materialov, prof.dr.MiranGaberšček, je na konferenci v Keystonu (Colorado, ZDA) prejel nagrado

revijeSolidStateIonicszanajboljšičlanekv tej reviji v letu 2013 (In depth discussion of

selected phenomena associated with intrinsic

battery hysteresis: battery electrode versus rubber

balloons).

Dr. Vesna Glavnik (L06) je na mednarodnem simpoziju »21st international Symposium on Separation Sciences« (30. junij – 3. julij 2015, Ljubljana, Slovenija) prejela nagrado za najboljši poster za prispevek »TLC-MS method for determination of proanthocyanidins in knotweed

species«.

Dr.AnžeSmole(L12) je na Gordonski konferenci iz sintezne biologije 2015, Sunday River, ZDA, prejel nagrado za najboljši poster.

Prof.dr.MatejPraprotnik (L17) je v letu 2015

• SašaRezelj for the master’s thesis “Structural

and Functional Characterisation of the

Listeriolysin O Y406A Mutant”, mentor: Prof. Dr. Gregor Anderluh, co-mentor Assist. Prof. Dr. Marjetka podobnik (L11)

• Dr. Rok Gaber (L12) for the doctoral work “Use of Synthetic DNA Binding Proteins for Information Processing and Process Directing in Biological Systems”, mentor: Prof. Dr. Roman Jerala (L12)

• UrškaSlapšak for the diploma thesis titled “Structure Determination of the Apo and Holo Forms of the CaM Domain of [alpha]-actinin 1 by NMR Spectroscopy”, mentor Prof. Dr. Janez plavec (nMR)

Gold Medal for Slovenian High School Students at iGEM 2015(Boston, USA, September 2015)

a team of eight Slovenian high school students together with their mentors from the Faculty of Chemistry and Chemical Technology UL and the Laboratory for Environmental Sciences and Engineering at national institute of Chemistry created a project entitled “The Production of Biofuel from Organic Waste”, with which it won the gold medal.

othersDr.StankoHočevar (L13) was awarded in october 2015 at Ministry of Defence of Republic Slovenia (MORS) by silver medal for scientiic achievements »Fridolin Kavčič« for scientiic and research contributions on the ield of defence skills and areas of work, assuring eicient accomplishment of military tasks.

At the conference in Keystone (Colorado, USA), the head of the Laboratory for Materials Chemistry, Prof.Dr.MiranGaberšček, received theawardofthejournalSolidStateIonicsforthebestarticleinthejournalin2013 (“In Depth Discussion of Selected Phenomena Associated with Intrinsic Battery Hysteresis: Battery Electrode Versus Rubber Balloons”).

Dr. Vesna Glavnik (L06) received the best poster award for the contribution »TLC-MS method for determination of proanthocyanidins

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postal predsednik Društva bioizikov Slovenije.

Tjaša Tibaut (L03) je na konferenci 8th

International Symposium on Computational

Methods in Toxicology and Pharmacology Integrating Internet Resources (CMTPI 2015) prejela nagrado za najboljši poster z naslovom Comparison of freely and commercially available

tools for binding site prediction.

in knotweed species« at the »21st International

Symposium on Separation Sciences« (30th June – 3rd July 2015, Ljubljana Slovenia).

Dr.AnžeSmole(L12) received the award for the best poster at the Gordon conference on synthetic biology 2015, Sunday River, USA.

Prof.Dr.MatejPraprotnik (L17) in 2015 became the chairman of the Slovenian biophysical Society.

at the 8th International Symposium on

Computational Methods in Toxicology and Pharmacology Integrating Internet Resources (CMTPI 2015), Tjaša Tibaut (L03) received the award for the best poster entitled “Comparison

of Freely and Commercially Available Tools for

Binding Site Prediction”.

Boro-nitridni sodobni keramični materialBoron nitride advanced ceramic material


Commission for Innovation innovations are of paramount importance to the national institute of Chemistry both in terms of science as such and in terms of working together with the industry and pursuing the institute’s mission.

The national institute of Chemistry’s policy on innovations and the transfer of knowledge and technologies into the economy has been co-shaped by the four-member Commission for innovation (Ci) for a number of years. its key tasks include managing procedures on acceptance of job-related inventions, providing opinions in procedures before national and foreign patent oices and participation in commercialisation. The transfer of technologies is carried out interactively, by establishing business networks, organising professional meetings, and so on.

Knowledge Transfer into the Economy

Komisija za inovacije inovacije so za Kemijski inštitut bistvenega pomena tako z vidika same znanosti kot tudi z vidika sodelovanja z gospodarstvom in izpolnjevanja poslanstva inštituta.

Politiko Kemijskega inštituta na področju inovacij ter prenosa znanja in tehnologij v gospodarstvo že vrsto let sooblikuje štiričlanska Komisija za inovacije (KZI). Ključne naloge KZI so vodenje postopkov pri prevzemu službenih izumov, dajanje mnenj v postopkih pred domačimi in tujimi patentnimi uradi ter sodelovanje pri komercializaciji. Prenos tehnologij poteka interaktivno z vzpostavljanjem poslovnih omrežij, organizacijo strokovnih srečanj ipd.

Prenos znanja v gospodarstvo

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Patenti Kemijski inštitut je v letu 2015 zabeležil pet novih patentnih prijav (od tega tri slovenske in dve evropski), dvanajst patentov pa je bilo podeljenih (šest slovenskih, en evropski, en ameriški in štirje avstrijski).

inštitut je bil v letu 2015 uspešen tudi na področju prenosa znanja v gospodarstvo. Poleg prodaje deleža na enem izumu, je bila sklenjena tudi licenčna pogodba s podjetjem Kolpa d.d. za patent z naslovom »S PMMA/ATH kompozitnim prahom modiiciran bitumen in uporaba le-tega«. izum je zanimiv predvsem za proizvajalce asfalta in gradbeno industrijo, saj je asfalt, modiiciran s PMMA / ATH prahom, odpornejši na najpogostejše poškodbe asfaltnih plasti, kot so nastanek kolesnic, luščenje bitumenskega ilma, nizkotemperaturne razpoke in razpoke zaradi utrujenosti materiala, hkrati pa omogoča koristno uporabo PMMA / ATH prahu, ki je sicer stranski/odpadli material.

Največji preboji v letu 2015: Temperaturni indikator za prikazovanje nihanja temperature artiklov nad predpisano mejo v hladni verigiizum obravnava zaznavanje nihanja temperature preko zgornje oziroma predpisane temperature vzdrževanja artiklov v hladni verigi.

Patents In 2015, the National Institute of Chemistry recorded ive new patent applications (three Slovenian and two European) and granted twelve patents (six Slovenian, one European, one american and four austrian).

In 2015, the Institute was also successful in the transfer of knowledge to the economy. in addition to selling its share in one of the inventions, the Institute also concluded a license agreement with Kolpa d.d. for the “Modiied bitumen and its use for preparing asphalt mixtures and bituminous products” patent. The invention is especially interesting to asphalt manufacturers and the construction industry, as PMMA/ATH modiied bitumen has a higher resistance to the main pavement failure mechanisms such as rutting, stripping, cold cracking and fatigue cracking while it also utilizes PMMA/ATH dust, which is basically waste material.

Biggest achievements in 2015: Temperature indicator for displaying product temperature luctuations above the prescribed limit in the cold chainThis invention deals with the detection of temperature luctuations above the top or prescribed temperature for product preservation in the cold chain.

The temperature indicator works by means of chemical and physical changes of the indicator material and therefore does not need a power supply. The recorded information is readable under all circumstances that enable visual perception or video detection.

In addition, the indicator irreversibly records the time of exceeding the pre-set temperature, which is lower than room temperature. When used on products in the cold chain, it also provides information on their safety and quality (e.g. food of animal origin).

Researchteam:• prof. dr. Marta Klanjšek Gunde (L10)• dr. Metka Hajzeri (L10)• Kristina bašnec (CETiS)


Temperaturni indikator deluje preko kemijskih in izikalnih sprememb indikatorskega materiala, zato ne potrebuje napajanja. Zapisana informacija je berljiva v vseh okoliščinah, ki omogočajo vidno zaznavo oz. videozaznavo.

Indikator nepovratno beleži tudi čas prekoračenja vnaprej določene temperature, ki je nižja od sobne. Pri uporabi na artiklih v hladni verigi daje tudi informacijo o varnosti in kakovosti izdelka (npr. animalnega živila).

Raziskovalnaekipa:• prof. dr. Marta Klanjšek Gunde (L10)• dr. Metka Hajzeri (L10)• Kristina bašnec (CETiS)

Slovenska patentna prijava: P-201500277Solastništvo: CETIS, d. d.

Barvni večplastni premazi z nizko sončno absorptivnostjo in visoko toplotno emisivnostjo Izum se nanaša na barvne večplastne premaze z nizko sončno absorptivnostjo in visoko toplotno emisivnostjo, ki se jih lahko uporabi za uravnavanje najvišje temperature premazanih površin, izpostavljenih direktni sončni svetlobi, postopek za nanašanje premaza in hladne površine, pripravljene z nanosom teh premazov.Sestavki za barvne premaze so narejeni z mešanjem visoko odsevnih kovinskih ali metaliziranih lusk, za IR prozornih ali IR odsevnih barvil v raznih vezivih; njihova visoka toplotna emisivnost pa je zagotovljena z nanosom prozornega vrhnjega sloja z visoko toplotno emisivnostjo. premaze se lahko nanaša z brizgalno pištolo ali s postopkom tračnega nanašanja (coil coating).

Prednosti/novosti:

• visoka toplotna emisivnost premazov• izboljšan postopek nanašanja premazov

Raziskovalnaekipa:• prof. dr. boris orel• dr. Matjaž Koželj• doc. dr. ivan Jerman• Mohor Mihelčič• Helena Spreizer• dr. Lidija Slemenik perše

Slovenski patent: 23451

Slovenian patent application: P-201500277Co-ownership: CETIS, d.d.

Multilayer colour coatings with low solar absorptance and high thermal emissivity This invention deals with multilayer colour coatings having low solar absorptance and high thermal emissivity, which can be used to control the maximum temperature of coated surfaces exposed to direct sunlight and the method for applying the coating and the cold surfaces prepared by the application of these coatings.

Compositions of colour coatings are made by mixing highly relective metal or metallised lakes and IR-transparent or IR-relective colouring agents in various binders; their high thermal emissivity is ensured by applying a transparent topcoat with a high thermal emissivity. Coatings can be applied with a spray gun or using coil coating.

Advantages/new features:

• high thermal emissivity of coatings• improved coating application method

Researchteam:• prof. dr. boris orel• dr. Matjaž Koželj• assist. prof. dr. ivan Jerman• Mohor Mihelčič• Helena Spreizer• dr. Lidija Slemenik perše

Slovenian patent: 23451

33

Projektna pisarna Kemijski inštitut se zaveda pomembnosti razvijanja in nudenja podpore raziskovalcem pri sodelovanju v mednarodnih raziskovalnih projektih, vključevanju v mednarodne interesne mreže ter sodelovanju z domačimi in tujimi raziskovalnimi in industrijskimi partnerji.Za uresničitev tega poslanstva je na Kemijskem inštitutu organizirana projektna pisarna (PP), ki raziskovalcem Kemijskega inštituta nudi podporo od nastanka projektne ideje do sklenitve konzorcijske pogodbe in pogodbe o soinanciranju. PP skrbi za ažurno obveščanje raziskovalcev o aktualnih razpisih ter identiikacijo drugih inančnih virov za znanstvenoraziskovalno dejavnost, nudi podporo raziskovalcem pri iskanju ustreznih partnerjev in sodelovanju s partnerji iz industrije, sodeluje s kontaktnimi točkami za programe EU na področju raziskav in inovacij ter organizira izobraževanje, usposabljanje in delavnice za lažje vključevanje raziskovalcev v evropski raziskovalni prostor.

Project Management OficeThe national institute of Chemistry knows the importance of developing and providing support for researchers in their participation in international research projects, integration into international stakeholder networks, and collaboration with domestic and foreign research and industry partners.

To carry out this mission, the Institute established the project Management Oice (PMO), which supports the Institute’s researchers from the initial conception of the project idea to the signing of the consortium agreement and the contract on co-inancing. The pMo’s tasks include keeping researchers regularly updated on current tenders, identifying potential sources of inancing for the scientiic and research activity, helping researchers ind and work with suitable industry partners, collaborating with contact points for EU programmes on research and innovation, as well as organising education and training courses and workshops to facilitate researchers’ integration into the European Research area.


SPLOŠNI SEKTOR / GENERAL SECTORUrška Miheljak Žabot – pomočnica direktorja/ Assistant Director (do/until 31. 12. 2015) - odsotna/absentUrša Jerše (v. d. pomočnice direktorja / Acting Assistant Director, do/until 2. 3. 2015)tanja Šarabon (v. d. pomočnice direktorja / Acting Assistant Director, od/from 3. 3. 2015)

GLAVNA PISARNA / MAIN OFFICEMeta Skumavc KNJIŽNICA / LIBRARY Andreja Drolc Lilijana Grah

SEKRETARIAT IN KADROVSKA SLUŽBA / SECRETARIAT AND PERSONNEL OFFICEUrša Jerše (vodja/Head) – odsotna od/absent from 3. 3. 2015Katarina Mušičtanja Svetic Jasmina Štiftar

Zaposleni v splošnem sektorjuGeneral sector - employees

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SLUŽBA ZA ODNOSE Z JAVNOSTMI / PUBLIC RELATIONS OFFICEBrigita pirc

ADMINISTRATIVNA IN DRUGA PODPORA / ADMINISTRATIVE AND OTHER SUPPORTFrancka Dobnikar Deni Bačič (it podpora /it support)

TEHNIČNE DELAVNICE / TECHNICAL SERVICES Vinko pintar (vodja/Head) toni Ambrož Gregor Babnik Robert Vidmar STROJNA DELAVNICAMarjan Smole

VARNOST IN ZDRAVJE PRI DELUmag. Muharem Husićdr. nada Kraševec SEKTOR ZA FINANČNO EKONOMSKE ZADEVE / FINANCE AND ACCOUNTING DEPARTMENTMitja čermelj – pomočnik direktorja / Assistant Director

RAČUNOVODSTVO / ACCOUNTING David pintar (vodja/Head)Vedrana Gorenšek tina Grebenc Fedor Križman eva lun Janja pintarič tanja Volovšek

PLAN IN ANALIZE / PLANNING AND ANALYSESBarbara Dorić (vodja / Head) – odsotna od/absent from 8. 6. 2015Maruša Rajovec v.d. vodje od/ Acting Head from 22. 5. 2015urša Roblek

PISARNA ZA RAZISKOVALNO IN PROJEKTNO SODELOVANJE / RESEARCH AND TECHNOLOGY OFFICEMaša Korenčan (vodja/Head) – odsotna od/absent from 12. 2. 2015Velesa Mrak – odsotna od/absent from 3. 6. 2015Meta čučnik Urša Jozelj – do/until 11. 11. 2015Mateja perčič – od/from 15. 9. 2015nina pohleven – od/from 26. 10. 2015


l01Računalniško modeliranje encimske katalize in računalniško podprto načrtovanje novih zdravilnih učinkovin

GLavnE DEJavnoSTi LaboRaToRiJa • računalniška simulacija encimske katalize• načrtovanje novih protibakterijskih in

protirakavih zdravilnih učinkovin • interakcija učinkovina-receptor• kemijska reaktivnost Dna• reakcije pomembne za nevrodegeneracijo• dinamika vodikovih vezi

GLAVNI DOSEŽKI V LETU 2015 v okviru raziskav novih inhibitorjev Mur ligaz kot protibakterijskih učinkovin smo izhajali iz našega predhodno odkritega 1,3-dikarboksilatnega inhibitorja furan-benzen, ki je bil okarakteriziran kot dualni MurD/MurE-inhibitor bakterijskih Mur ligaz. V kinetični študiji smo ugotovili, da je obravnavana spojina prvi znani aTp-kompetitivni inhibitor encima MurD in pokazali multiplo inhibicijo na vseh Mur ligazah. v nadaljevanju smo na osnovi rezultatov izvedenih simulacij molekulske dinamike načrtovali novo izboljšano serijo inhibitorjev. Dobljene spojine so se v encimskih testih prav tako izkazale kot multipli inhibitorji celotne družine Mur ligaz (MurC-MurF) v nizkem mikromolarnem območju in so izkazovale protibakterijsko delovanje.

V okviru raziskav novih inhibitorjev človeške DNA topoizomeraze IIα smo odkrili in okarakterizirali novo serijo monocikličnih topoIIα-zaviralcev, ki imajo v svoji strukturi

Laboratory for biocomputing and bioinformatics

Computational approaches to enzyme catalysis and computer-aided drug design

TopiC aREaS • computer simulation of enzyme catalysis• the rational design of novel antibacterial and

anticancer compounds• drug-receptor recognition• the chemical reactivity of Dna• reactions relevant for neurodegeneration• dynamics of hydrogen-bonded systems

iMpoRTanT aCHiEvEMEnTS in 2015 In the ield of antibacterial drug design, we expanded the knowledge of the class of furan-based benzene-1,3-dicarboxylic acid derivatives by irst showing multiple MurC–MurF ligase inhibition for representatives of the series. Steady-state kinetics studies of the MurD enzyme were performed for compound 1, suggesting a competitive inhibition with respect to ATP. To the best of our knowledge, the studied compound represents the irst aTp-competitive MurD inhibitor reported to date with concurrent multiple inhibition of all four Mur ligases (MurC–MurF). Based on the obtained MD data, novel furan-based benzene monocarboxylic acid derivatives exhibiting multiple Mur ligase (MurC–MurF) inhibition with predominantly superior ligase inhibition over the original series, were discovered and for selected compounds, promising antibacterial activity against S. aureus was shown.

Laboratorij za računalniške bioznanosti in

bioinformatiko

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VODJA/HEADprof. dr. Janez Mavri / assoc. prof.

1,3,5-triazin-2(1H)-onski fragment. 1,3,5-triazin-2(1H)-oni predstavljajo tudi prve monociklične katalitične zaviralce z dokazano vezavo na aTp-azno domeno. nadalje smo na osnovi eksperimentalno določene vezave molekule aMp-pnp v vezavnem mestu za aTp postavili farmakoforni model in ga uporabili za virtualno rešetanje knjižnic komercialno dostopnih spojin. pri tem smo odkrili dve seriji bicikličnih zaviralcev: nove zaviralce s purinsko strukturo in popolnoma nov strukturni razred s pirazolopirimidinskim skeletom. Spojini iz obeh strukturnih razredov sta izkazovali obetavno citotoksično delovanje na celicah

Vezavna konformacija odkritega 1,3,5-triazin-2(1H)-ona v ATP-mestu topoizomeraze IIα med simulacijo molekulske dinamike in ključne aminokisline, ki interagirajo z ligandom.

Representative MD snapshot of the discovered 1,3,5-triazin-2(1H)-ones in the ATP binding site of htIIα during the MD simulation with key interacting amino acid residues emphasized.

in the scope of our anticancer drug design eforts starting from our discovery of the 4-amino-1,3,5-triazine inhibitors of human topoisomerase Iiα, we identiied 1,3,5-triazin-2(1H)-ones as novel topoisomerase IIα inhibitors. The compounds represent the irst validated monocyclic class of catalytic inhibitors that bind to the aTp binding site and have the potential for it to lead development. in the second research project, we designed a two stage virtual screening campaign combining structure-based pharmacophores and molecular docking, based on the structural data on the binding mode of the aMp-pnp molecule to human topo IIα, identifying and


človeškega hepatoma (HepG2) in celični liniji adenokarcinoma dojke v fazi metastaze (MCF-7).

Preučili smo interakcijo med 558 spojinami, ki so sestavni del kozmetičnih izdelkov, in 14 nuklearnimi receptorji. biomolekularne simulacije so pokazale, da se 122 spojin veže na vsaj enega od receptorjev, medtem ko se 21 spojin veže na več kot pet receptorjev. Razvili smo programski paket za avtomatizirani postopek molekularnega dockinga v nuklearne receptorje. (endocrinedisruptome.ki.si)

V okviru razumevanja procesov, ki zmanjšajo oksidativni stres in s tem povezane zmanjšane incidence nevrodegeneracije, smo preučevali genotoksičnost metabolita paracetamola. Ključna reakcija poteka med kinoniminskim metabolitom paracetamola in gvaninom na mestu N7. S kvantnokemijskimi izračuni smo pokazali, da michaelova adicija in depurinacija kontrolirata kinetiko poškodb Dna. Reakcija med kinoniminskim metabolitom paracetamola in glutationom je mnogo hitrejša. Sporočilo študije je, da je dolgotrajna uporaba paracetamola varna, pri bolnikih z zelo zmanjšano ravnjo glutationa pa je potrebna previdnost.

characterising several mono-substituted 9H-purine compounds and a novel class of 1H-pyrazolo[3,4]pyrimidine inhibitors of the htIIα. Two compounds identiied in the second design stage showed promising anticancer activities in hepatocellular carcinoma (HepG2) and breast cancer (MCF-7) cell lines.

We studied interactions between 558 compounds found in cosmetics products and 14 nuclear receptors. Using molecular docking, we proved that 122 compounds interact with at least one of the nuclear receptors, while 21 compounds bind to at least ive receptors. In order to study endocrine disruption, we developed program tool for molecular docking to nuclear receptors. (see http://endocrinedisruptome.ki.si/)

in order to understand processes that reduce oxidative stress and therewith associated incidence of neurodegeneration we studied the genotoxic potential of acetaminophen (paracetamol) metabolite. The key reaction is Michael addition between its reactive quinone imine metabolite and guanine at position n7. We have used quantum chemical calculations to demonstrate that Michael addition and depurination control the kinetics of Dna damage. on the other hand the reaction between quinone imine and glutathione is much faster. This indicates that the clinical application of acetaminophen is safe, while in the case of severely depleted glutathione levels, acetaminophen should be administered with caution.

Struktura aktivnega mesta monoamino oksidaze B z vezano molekulo dopamina. Struktura ustreza minimumu reaktantov. Aminokislinski ostanki aktivnega mesta so sivi, lavinski kofaktor je oranžen, dopamin pa moder.

The structure of the monoamino oxidase B active site with a dopamine molecule prior to the reactive step. The active site residues are shown in grey, the lavin prosthetic group in orange and dopamine in light blue.

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5 NAJVEČJIH DOSEŽKOV v ZaDnJiH 5 LETiH • Odkritje kemijskega mehanizma, po katerem

monoamino oksidaze razgrajujejo biogene amine in multiskalna simulacija razgradnje dopamina, ki jo katalizira MAO B.

• Razumevanje vloge nuklearnega tuneliranja pri encimski katalizi.

• odkritje in karakterizacija prvih znanih multiplih inhibitorjev vseh štirih bakterijskih Mur ligaz (MurC-MurF) in postavitev dinamičnega modela bakterijskega encima MurD.

• Odkritje in bioizikalna karakterizacija 1,3,5-triazinonov kot prvih monocikličnih topoizomeraznih IIα-inhibitorjev z dokazano vezavo na ATP-azno domeno htIIα.

• Strukturno podprto načrtovanje in določitev kristalne strukture bitiazolnih inhibitorjev bakterijske Dna Giraze.

Top 5 aCHiEvEMEnTS IN THE LAST 5 YEARS • Discovery of the chemical mechanism by

which monoamine oxidases decompose biogenic amines and the multiscale simulation of the monoamine oxidase b catalysed decomposition of dopamine.

• Critical assessment of the role of nuclear tunnelling in enzyme catalysis.

• The design, discovery and characterization of the irst known multiple inhibitors of all four bacterial Mur ligases (MurC–MurF) and derivation of the dynamical model of the MurD ligase.

• The discovery and biophysical characterization of the 1,3,5-triazine inhibitors of human topoisomerase IIα as the irst validated monocyclic class of catalytic inhibitors that bind to the aTpase topoisomerase domain.

• Structure-based design and determination of the co-crystal structure of the novel bithiazole inhibitors of the bacterial Dna Gyrase.

Pri encimskih reakcijah s prenosom vodikovega atoma kompresija razdalje donor-akceptor ne prispeva k povečanju hitrosti reakcije z nuklearnim tuneliranjem, saj se pregrada s stiskanjem zmanjšuje in pri določeni razdalji izgine.

For enzyme reactions where hydrogen transfer represents the rate limiting step, compression of the donor acceptor distance does not contribute to rate enhancement by nuclear tunnelling since the barrier decreases by compression and may even disappear.


RAZISKOVALCI/RESEARCHERS:doc. dr. Andrej perdih / assist. prof.dr. Barbara pogorelčnik (do/until 7/2015)dr. Jernej Staredr. Matej repič (do/until 11/2015)

DOKTORSKI ŠTUDENTI/PhD STUDENTS:Kaja Bergant (od/from 10/2015)

STROKOVNI SODELAVCI INTEHNIČNO OSEBJE/TECHNICALSTAFF:Deni Bačić

ZASLUŽNI RAZISKOVALEC/RESEARCHER EMERITUS:akademik prof. dr. Dušan Hadži

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5 NAJBOLJŠIH ČLANKOV V ZNANSTVENIH REVIJAH V ZADNJIH 5 LETIH / THE 5 BEST ARTICLES IN SCIENTIFIC PUBLICATIONS IN THE LAST 5 YEARS 1. KAMERLIN, Shina Caroline Lynn, MAVRI, Janez, WARSHEL, Arieh. Examining the case for the efect

of barrier compression on tunneling vibrationally enhanced catalysis, catalytic entropy and related issues. FEBS letters 2010, 584, 2759–2766.

2. STARE, Jernej, MAVRI, Janez, GRDADOLNIK, Jože, ZIDAR, Jernej, MAKSIĆ, Zvonimir B., VIANELLO, Robert. Hydrogen bond dynamics of histamine monocation in aqueous solution: Car-Parrinello molecular dynamics and vibrational spectroscopy study. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 2011, 115, 5999–6010.

3. REPIČ, Matej, VIANELLO, Robert, PURG, Miha, DUARTE, Fernanda, BAUER, Paul, KAMERLIN, Shina Caroline Lynn, MAVRI, Janez. Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine. Proteins, 2014, 82, 3347–3355.

4. PERDIH, Andrej, HRAST, Martina, BARRETEAU, Hélène, GOBEC, Stanislav, WOLBER, Gerhard, ŠOLMAJER, Tomaž. Inhibitor design strategy based on an enzyme structural lexibility : a case of bacterial MurD ligase. Journal of chemical information and modeling, 2014, 54, 1451–1466.

5. BRVAR, Matjaž, PERDIH, Andrej, RENKO, Miha, ANDERLUH, Gregor, TURK, Dušan, ŠOLMAJER, Tomaž. Structure-based discovery of substituted 4, 5`-bithiazoles as novel DNA gyrase inhibitors. Journal of medicinal chemistry, 2012, 55, 6413–6426.

BIBLIOGRAFIJA / BIBLIOGRAPHY 2015

9 izvirnih znanstvenih člankov original Scientiic Articles

1 pregledni znanstveni članek review Article

3 objavljeni povzetki znanstvenih prispevkov na konferencah (vabljena predavanja)

published Scientiic Conference Contributions Abstract (invited Lectures)

12 objavljenih povzetkov znanstvenih prispevkov na konferencah

published Scientiic Conference Contribution Abstracts

3 predavanja na tujih univerzah invited Lectures at Foreign Universities

1 doktorat Doctoral Dissertation

1 uredništvo revij Journal editorship


In silico pristop k napovedovanju

molekulskih lastnosti in bioloških

aktivnosti iz množice podatkov

GLavnE DEJavnoSTi LaboRaToRiJa • uvajanje kemometrije v raziskovalno in

razvojno prakso• modeliranje kemičnih lastnosti in procesov

(QSAR in mehanistični modeli)• razvoj in uveljavljanje metod umetnih

nevronskih mrež v kemiji• uporaba diskretne matematike v strukturni

kemiji, QSAR, proteomiki in genomiki• razvoj metodologij in programskih paketov

za mehanistične in izkustvene modele z namenom načrtovanja zdravilnih učinkovin, ocenjevanja toksičnosti in optimizacije materialov

• raziskave 3D-predstavitve kemične strukture za uporabo v QSaR

• izobraževanje na področju kemometrije in prenos znanja (industrija, EU-projekti)

GLAVNI DOSEŽKI V LETU 2015 • Metodo umetne nevronske mreže z

vzvratnim širjenjem napake smo nadgradili in prilagodili za načrtovanja eksperimentov z več faktorji, obdelavo večjih količin podatkov in optimizacijo industrijskih postopkov. opisana metoda omogoča učinkovit način optimizacije obstoječega sistema ter dvojno kontrolo, kar poveča zanesljivost izbranih optimalnih rešitev.

• vpeljali smo nove dodatke v asfaltne zmesi in

The in-silico approach in the prediction

of molecular properties and biological

activities

TopiC aREaS • the introduction of chemometrics to research

and development• modelling of chemical properties and

processes - (QSaR and mechanistic models);• the development and application of artiicial

neural networks in chemistry• the application of discrete mathematics in

structural chemistry, in QSAR studies, in proteomics and genomics

• the development of methodologies and program packages for mechanistic and empirical models for drug design, assessment of toxicity, and material optimization

• the development of 3D representations of chemical structures for applications in QSaR;

• education in chemometrics and knowledge transfer (industry and EU projects)

iMpoRTanT aCHiEvEMEnTS in 2015 • Artiicial neural networks with backward

error propagation have been upgraded and adjusted for the design of experiments with several factors, processing large amounts of data and the optimization of industrial processes. The described method allows a more efective way to improve the existing system and dual control, which increases the reliability of the selected optimal solution.

• We continued the introduction of new

l03Laboratory of Chemometrics

Laboratorij za kemometrijo

43

ovrednotili nove metode preskušanja asfaltnih zmesi.

• Izdelali smo 3D-model bilitranslokaze, ki je sestavljen iz štirih transmembranskih vijačnic, z upoštevanjem interakcij med transmembranskimi vijačnicami, ki smo jih dodatno potrdili z eksperimentalnimi metodami (FRET, NMR). Z dodatno analizo modela smo pridobili pomemben vpogled v mehanizem prenosa molekul prek celične membrane s pomočjo bilitranslokaze.

• iz podatkovne baze Cosing (spojine za kozmetiko) smo naključno izbrali 558 spojin, katerih toksične lastnosti smo ocenili z modeli QSAR (modeli CAESAR za mutagenost, karcinogenost, razvojno toksičnost in kožno občutljivost) in z metodo molekulskega sidranja ocenili sposobnost vezave teh spojin na 14 jedrnih receptorjev, kot so estrogenski, androgeni, glukokortikoidni in tiroidni. Iz dobljenih rezultatov smo določili 10 potencialno nevarnih spojin za motnje endokrinega hormonskega sistema in jih predlagali za nadaljnja in vitro testiranje na celičnih linijah.

• Razvili smo model QSAR, ki je na osnovi strukturnih deskriptorjev poznanih antioksidantov sposoben napovedovanja antioksidativne moči novih spojin. Eksperimentalno smo potrdili antioksidativno aktivnost pri skoraj polovici testiranih spojin, ki so bile napovedane kot aktivne. Potrdili smo hipotezo, da je fragment, ki je skupen pulvinski kislini in kumarinu, nosilec antioksidativne aktivnosti, pripeti substituenti pa vplivajo na povečanje oziroma zmanjšanje aktivnosti.

• odkrili smo nove zaviralce katepsina K kot

additives to asphalt mixtures and the evaluation of new methods of testing asphalt mixtures.

• a 3D model of the four transmembrane helical regions of bilitranslocase was computed by considering helix-helix interactions and further conirmed by Förster resonance energy transfer spectroscopy and nuclear magnetic resonance spectroscopy. by analysing the model, several important insights into the bTL transport mechanism were obtained. From the Cosing (cosmetics ingredients) database, we randomly chose 558 compounds, which we evaluated using QSaR models (CaESaR models for mutagenicity, carcinogenicity, developmental toxicity and skin sensitization) and with the docking method for 14 nuclear receptors including estrogen, androgen, glucocorticoid and thyroid. From the obtained results, we identiied 10 compounds of potential concern on the endocrine hormonal system and proposed them for further in vitro tests on cell lines.

• The QSaR model was developed on the basis of structural descriptors of known antioxidants, which is capable of predicting the antioxidative activity of new compounds. Antioxidative activity has been conirmed experimentally for half of the predicted compounds. it was discovered that the fragment common to pulvinic and coumarine acid is the key factor in antioxidative activity, while the substituents either increase or decrease it.

• We have developed new inhibitors of cathepsin K as a potential new treatment for osteoporosis, with the constant of inhibition

VODJA/HEADprof. dr. Marjana Novič / assoc. prof.


Razvili smo novo metodo mapiranja z uprabo nevronskih mrež (bottle-neck neural networks) za izboljšanje tehnoloških procesov. Učna navodila (tutorial) za iskanje optimumov z uporabo nevronskega 2D (dimenzionalnega mapiranja) s tako imenovanim pristopom feed forward bottle neck neural network (FFBN NN) v primerjavi s tradicionalno statistično metodo so bila objavljena v reviji Analytica chimica acta (2015).Uporaba obeh metod v industriji je bolj učinkovita, ker pridobimo več informacij o procesu in tako omogočimo določitev mejnih vrednosti za vzpostavitev optimalnih nastavitev procesa, pri katerih lahko dobimo najboljšo kakovost ob najmanjših stroških. Nevronsko 2D-mapiranje (FFBN NN) je enostavno za uporabo in ne zahteva veliko časa, omogoča pa 2D vizualizacijo učnega tehnološkega procesa.Predložena metoda omogoča bolj učinkovit način izboljšanja obstoječega sistema. Uporaba tradicionalnih statističnih metod optimizacij skupaj z 2D mapiranjem omogoča dvojno kontrolo, kar poveča zanesljivost izbranih optimalnih rešitev ali dovoljenih mej procesa, ki pripadajo speciikaciji.

A new method for inding optimal settings in any technological process using the neural network mapping technique was developed. This 2D mapping method based on Auto associative Neural Networks (ANN) (particularly, the feed forward bottleneck neural network (FFBN NN)) was described in comparison with traditional methods in a tutorial published in Analitica Chimica Acta journal 2015. Due to the projection of input and output parameters in the same coordinates of the 2D map the FFBN NN mapping technique enables us to see all the optimal solutions in considered processes. This way, one can see all the possible optima: MIN, MAX or certain values related to speciication limits. This method together with the statistical one was proposed as a double check of optimization results in DOE. This increases the reliability of selected optima or speciication limits.

potencialno novo terapijo v zdravljenju osteoporoze, s konstanto inhibicije v nizkem nanomolarnem območju ter njihov mehanizem vezave potrdili v kristalografskih študijah. naredili smo tudi korak naprej pri razvoju novih 6-luorokinolonov kot potencialnih zaviralcev M. tuberculosis Dna giraze v boju proti različnim mutantskim sevom gyrb.

values in the low nanomolar range and we have elucidated their mechanism of action in crystallographic studies. We have also made further progress in the development of new 6-luoroquinolone antibacterials as potential M. tuberculosis Dna gyrase inhibitors against diverse gyrb mutant strains.

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5 NAJVEČJIH DOSEŽKOV v ZaDnJiH 5 LETiH • Odkrili, sintetizirali in ovrednotili smo nove

selektivne šibko-bazične in nebazične zaviralce katepsina K, ki bi lahko bila potencialna zdravila za številne bolezni, kot so osteoporoza, rak, diabetes, debelost (Borišek in sod., J. Chemometr., 2014; Borišek et al., J. Med. Chem., 2015). Napovedovali smo tudi antiprionske aktivnosti malih organskih molekul ter pojasnjevali strukturne lastnosti spojin, ki vplivajo na motenje interakcij med prioni (Venko et al., Mol. Divers., 2014).

Top 5 aCHiEvEMEnTS IN THE LAST 5 YEARS • We identiied, synthesized and experimentally

evaluated new selective non-basic to weakly-basic cathepsin K inhibitors as potential drug candidates for a number of diseases, such as osteoporosis, cancer, diabetes, obesity and others (Borišek et al., J. Chemometr., 2014; Borišek et al., J. Med. Chem. 2015). We also predicted the antiprion activity of small organic compounds and the structural features of compounds potentially involved in disturbing prion-prion interactions were

RAZISKOVALCI/RESEARCHERS:dr. Jure Borišek (od/since 22. 12. 2015)dr. Katja Venkodr. Marjan tušardr. Marjan Vračko – Grobelšekdr. natalja Fjodorovadr. nikola Minovskidr. Špela Župerldr. Viktor Drgan

DOKTORSKI ŠTUDENTI/PhD STUDENTS:Alja plošnikAnja Kolarič (od/since 1. 10. 2015)lidija Avseniktjaša tibaut

ZASLUŽNI RAZISKOVALEC/RESEARCHER EMERITUS:prof. dr. Jure Zupan


Odkritje, sinteza, biokemijsko ovrednotenje in kristalna struktura novega selektivnega nanomolarnega zaviralca katepsina K.

The discovery, synthesis, biochemical evaluation and crystal structure of a novel nanomolar selective cathepsin K inhibitor.

• odkrili smo nove antioksidante ter eksperimentalno dokazali, da so učinkoviti lovilci širokega spektra radikalskih zvrsti, so učinkoviti pri preprečevanju oksidativnega stresa v živih celicah, so aktivni pod svojimi citotoksičnimi koncentracijami in sposobni prehoda skozi celične membrane (Martinčič in sod., Anal. Chim. Acta, 2015; Martinčič in sod., PloS One, 2015; Martinčič in sod., SAR QSAR Environ. Res., 2014).

• Strukturno smo okarakterizirali protein bilitranslokazo (bTL) ter pojasnjevali mehanizem prenosa organskih anionov prek celične membrane; uporabili smo računske modele, NMR-spektroskopijo in tehniko FRET (10 objav, vključno z ACA, PloS One, BBA biom.). Raziskave graičnih predstavitev proteinov smo povzeli v preglednem članku v Chemical Reviews.

• Identiicirali smo 6-luorokinolonske (6-FQ) protibakterijske učinkovine kot potencialne zaviralce DNA giraze Mycobacterium

tuberculosis (6 objav: Minovski in sod., Mol. Divers., 2011; Cent. Eur. J. Chem., 2011; J. Comput. Chem., 2013; J. Mol. Model., 2012; Tušar et al., Curr. Drug. Saf., 2012; RSC Adv., 2015).

• Razvoj metod in programske opreme: (i) dve metodi za določitev domene uporabnosti pri modelih umetnih nevronskih mrež (ANN) (Fjodorova et al., J. Comput. Aid. Mol. Des., 2011; Minovski et al., Anal. Chim. Acta, 2013) in SVM (Martinčič et al., Anal. Chim. Acta, 2015), (ii) ANN združene s »strukturnimi alerti«, za napovedovanje rakotvornosti spojin (Fjodorova et al., J. Comput. Aid. Mol. Des., 2011), dostopno spletno orodje VEGA (http://www.vega-qsar.eu/), (iii) nova metoda

discussed (Venko et al., Mol. Divers., 2014).• We discovered new antioxidants and

experimentally demonstrated that they are efective scavengers of a wide range of radical species, are efective in the prevention of oxidative stress in living cells, are active below their cytotoxic concentrations, and are capable of crossing the cell membrane. (Martinčič et al., Anal. Chim. Acta, 2015; Martinčič et al., PloS One, 2015; Martinčič et al., SAR QSAR Environ. Res., 2014).

• We have performed the structural characterization of bilitranslocase (bTL) and shed light on its mechanism of transport of organic anions across the cell membrane, using computational (neural network model), nMR spectroscopy and FRET techniques (10 publications, including ACA, PloS One, bba biom.). The research on graphical representations of proteins has been reviewed in a paper in Chemical Reviews.

• We have identiied new 6-luoroquinolone (6-FQ) antibacterials as potential Mycobacterium

tuberculosis DNA gyrase inhibitors (6 publications: Minovski et al., Mol. Divers., 2011; Cent. Eur. J. Chem., 2011; J. Comput. Chem., 2013; J. Mol. Model., 2012; Tušar et al., Curr. Drug. Saf., 2012; RSC Adv., 2015).

• Development of methods and software: (i) two methods for the applicability domain assessment of ann models (Fjodorova et al., J. Comput. Aid. Mol. Des., 2011; Minovski et al., Anal. Chim. Acta, 2013) and for SVM (Martinčič et al., Anal. Chim. Acta, 2015), (ii) ANN model combined with structural alerts developed for the carcinogenicity assessment of compounds (Fjodorova et al., J. Comput. Aid. Mol. Des., 2011), available in the web

47

application VEGA (http://www.vega-qsar.eu/), (iii) new method for the prediction of α and β transmembrane segments of proteins (Roy Choudhury et al., PLOS ONE, 2015), (iv) new in

silico method for the accuracy assessment of homology models, used as ilters for correct ligand positioning in the binding site, based on the results of molecular docking (Minovski et al., J. Comput. Chem., 2013), (v) new scheme for the design and optimization of novel drug candidates. a description is given for diferent 2D/3D in silico methods and their integration into a complete virtual screening protocol (Minovski and Novič, book chapter in Quantitative Structure-activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment, ed. Kunal Roy, 2015).

za napovedovanje transmembranskih segmentov proteinov α in β (Roy Choudhury et al., PLOS ONE, 2015), (iv) nova in silico metoda za oceno točnosti homolognih modelov, ki so uporabljeni za iltriranje pravilnih pozicij ligandov v vezavno mesto proteina na osnovi rezultatov molekulskega sidranja (Minovski et al., J. Comput. Chem., 2013), (v) nova shema za načrtovanje in optimizacijo novih zdravilnih učinkovin. Pri tem je opisana uporaba različnih 2D/3D-metod in silico in njihova integracija v celovit protokol virtualnega rešetanja spojin (Minovski in Novič, poglavje v knjigi Quantitative Structure-activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment, ed. Kunal Roy, 2015).

J. Comput. Chem., 2013, številka 34, izdaja 9 (naslovna slika). Na strani 790 Nikola Minovski, Andrej Perdih, Marjana Novič, in Tom Šolmajer prikazujejo, kako so natančno validirani modeli in silico z uporabo nedavno določenih kompleksov M. tuberculosis-DNA giraza apoprotein in topoizomeraza II-DNA-6-luorokinolon strokovno uporabljeni za določitev vezavnih žepov učinkovin in optimizacijo novih zaviralcev DNA giraze iz razreda substituiranih 6-luorokinolonov.

J. Comput. Chem., 2013, Volume 34, Issue 9 (Cover Image). On page 790, Nikola Minovski, Andrej Perdih, Marjana Novič and Tom Šolmajer demonstrate how carefully validated in silico models using the recently determined structures of M. tuberculosis- DNA gyrase apoprotein and topoisomerase II-DNA-6-luoroquinolones complexes can be proiciently used for deining the drug binding pockets and the subsequent design of a series of novel inhibitors of DNA gyrase from the class of substituted 6-luoroquinolones (shown on the cover of the journal).


5 NAJBOLJŠIH ČLANKOV V ZNANSTVENIH REVIJAH V ZADNJIH 5 LETIH / THE 5 BEST ARTICLES IN SCIENTIFIC PUBLICATIONS IN THE LAST 5 YEARS1. Borišek, Jure; Vizovišek, Matej; Sosnowski, Piotr; Turk, Boris; Turk, Dušan; Mohar, Barbara; Novič,

Marjana. Development of n-(functionalized benzoyl)-homocycloleucyl-glycinonitriles as potent cathepsin K inhibitors. J. Med. Chem., 2015, 58, 6928–6937.

2. Martinčič, Rok; Kuzmanovski, Igor; Wagner, Alain; Novič, Marjana. Development of models for prediction of the antioxidant activity of derivatives of natural compounds. Anal. Chim. Acta., 2015, 868, 23–35.

3. Župerl, Špela; Fornasaro, Stefano; Novič, Marjana; Passamonti, Sabina. Experimental determination and prediction of bilitranslocase transport activity. Anal. Chim. Acta., 2011, 705, 322–333.

4. Randić, Milan; Zupan, Jure; Balaban, Alexandru T.; Vikić-Topić, Dražen; Plavšič, Dejan. Graphical representation of proteins. Chemical reviews, 2011, 111, 790–862.

5. Minovski, Nikola; Župerl, Špela; Drgan, Viktor; Novič, Marjana. Assessment of applicability domain for multivariate counter-propagation artiicial neural networks predictive models by minimum Euclidean distance space analysis: a case study. Anal. Chim. Acta., 2013, 759, 28–42.

Ključni članek načrtovanja zdravilnih učinkovin, “Študija molekulskega sidranja na osnovi grupiranja za (in silico) identiikacijo novih 6-luorokinolonov kot potencialnih inhibitorjev proti Mycobacterium tuberculosis”, je bil izbran pri forumu Global Medical Discovery.

Key Drug Discovery Article: “Cluster-based molecular docking study for the in silico identiication of novel 6-luoroquinolones as potential inhibitors against Mycobacterium tuberculosis”, as selected by the Global Medical Discovery forum.

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1 kratki znanstveni prispevek Short Scientiic Article

2 strokovna članka professional Articles

4 samostojni znanstveni sestavki ali poglavja v monografskih publikacijah

independent Scientiic Component parts or Chapters in Monographs

5 objavljenih znanstvenih prispevkov na konferencah published Scientiic Conference Contributions





1 prispevek na konferenci brez natisa Unpublished Conference Contributions

3 doktorati Doctoral Dissertations

9 uredništev revij Journal editorships


Laboratorij za analizno kemijo - Analitika in kemijska karakterizacija materialov ter procesov

KLJUČNE DEJAVNOSTI LaboRaToRiJa • študij in razvoj sodobnih analiznih metodologij

in orodij za analitiko (sledov) elementov in organskih spojin

• elementna speciacija in kemijska karakterizacija spojin za uporabo na področjih okoljskih, biomedicinskih, industrijskih ter drugih problematik

• raziskave kemijskih procesov v atmosferski vodni fazi

• vzorčevanje in izikalno-kemijska karakterizacija po velikostnih frakcijah ločenih atmosferskih (nano) aerosolov

• analizna elektrokemija: razvoj in uporaba (mikro)elektrod in elektrokemijskih (bio)senzorjev, priprava senzorskih površin in študij elektrodnih procesov

• 2D/3D-elementno oslikovanje s sklopljenim sistemom La-iCp-MS (laserska ablacija sklopljena z elementno masno spektrometrijo z ionizacijo v induktivno sklopljeni plazmi)

• sinteza novih detekcijskih in separacijskih materialov

• študije priprave vzorcev (npr. razklop v mikrovalovni peči)

• pogodbeno delo in zahtevnejše analizne storitve za neposredne industrijske in druge partnerje s poudarkom na razvoju in izboljšavi metod ter analizi vseh vrst vzorcev (okoljskih, industrijskih, bioloških, farmacevtskih idr.) in merjenje praktično vseh elementov periodnega sistema ter številnih anorganskih

Analytical Chemistry Laboratory - Analytics and chemical characterization of materials and processes

TopiC aREaS • study and development of advanced analytical

methodologies and tools for analysis of (trace) elements and organic compounds

• elemental speciation and chemical characterization of compounds for application in environmental, biomedical, industrial and related topics

• study of chemical processes in atmospheric aqueous phase

• sampling and physico-chemical characterization of size-segregated atmospheric (nano) aerosols

• analytical electrochemistry: development and application of (micro)electrodes and electrochemical (bio)sensors, preparation of sensing layers and study of electrode processes

• 2D/3D-elemental imaging using hyphenated La-iCp-MS system (laser ablation hyphenated with inductively coupled plasma elemental mass spectrometry)

• synthesis of novel detection and separation materials

• sample preparation studies (e.g. microwave-assisted digestion)

• contract work and special analytical services for direct industrial and other partners with emphasis on the development and adaptation of methods and analyses of all kinds of samples (environmental, industrial, biological, pharmaceutical, etc.) and measurement of practically all elements of the periodic table and numerous inorganic and organic ions

l04analytical Chemistry Laboratory

Laboratorij za analizno kemijo

51

in organskih ionov• izobraževanje dodiplomskih in dodoktorskih

študentov ter podoktorskih raziskovalcev• temeljne in aplikativne raziskave so povezane

predvsem z naslednjimi tehnikami:• masna in optična emisijska spektrometrija • tekočinska in ionska kromatograija• (stripping) voltametrija in potenciometrjia,

amperometrija• sklopljene analizne tehnike, kot npr.

tekočinska kromatograija, SMPS (spektrometer za štetje submikronskih delcev), stripping voltametrija ali laserska ablacija v povezavi z (elementno) masno spektrometrijo

Več informacij je na voljo na naši spletni strani: http://www.ki.si/materiali-inzenirstvo-in-analitika/l04-laboratorij-za-analizno-kemijo/

GLAVNI DOSEŽKI V LETU 2015 1. Aromatske spojine v ozračju so še posebej nevarne za naš ekosistem; zato smo razvili zmogljivo orodje za oceno njihovega škodljivega vpliva na okolje. Študija je razkrila, da bi lahko bili mokri delci urbanega izvora, ki vsebujejo gvajakol (produkt gorenja lesa), celo bolj škodljivi za podeželje oz. oddaljena področja kot za mesta sama. v nasprotju z dosedanjim razumevanjem kemije ozračja, ki obravnava predvsem radikalske reakcije, to pripisujemo elektroilni aromatski substituciji reaktivnih dušikovih spojin, Scientiic Reports 5 (2015) 1, IF = 5,578.

2. Gvajakol se sprošča v ozračje pri gorenju lesa. Z eksperimentalno-simulacijskim pristopom

• education and supervision of under-graduate and post-graduate students, and post-doctoral guest-fellows

• research and application studies are associated particularly with the following techniques:• mass and optical emission spectrometry• liquid and ion chromatography• (stripping) voltammetry and potentiometry,

amperometry• hyphenated analytical techniques, e.g. liquid

chromatography, SMPS (scanning mobility particle spectrometry), stripping voltammetry or laser ablation interfaced with (elemental) mass spectrometry

For more information, please visit our website: http://www.ki.si/en/materials-engineering-and-analytics/l04-analytical-chemistry-laboratory/

iMpoRTanT aCHiEvEMEnTS in 2015 1. aromatics are important atmospheric pollutants and represent considerable hazard for our ecosystem; a powerful tool for the assessment of their impact on the environment was developed. The study revealed that remote biotopes might be the most damaged by wet urban guaiacol-containing biomass burning aerosols. Revising the recent understanding of atmospheric chemistry, which is mostly concerned with radical mechanisms, this is mainly due to electrophilic nitrogen-containing reactive species, Scientiic Reports 5 (2015) 1, IF = 5.578.

VODJA/HEADdr. Samo Hočevar


smo proučili njegovo nitriranje v vodni fazi pri atmosferskih pogojih. Eksperimentalne podatke smo zelo dobro opisali z modelno funkcijo, ki upošteva dve reaktivni dušikovi spojini; no2• in no2+. Rezultati bistveno prispevajo k razumevanju staranja metoksifenolov v atmosferskih vodah in izpostavljajo potrebo po vključitvi elektroilne aromatske substitucije v atmosferske modele, Environ. Sci. Technol. 49 (2015) 9150, IF = 5,33.

3. Z namenom izboljšanja lateralne ločljivosti elementnega oslikovanja z La-iCp-MS smo razvili postopek za obdelavo signalov pred in po eksperimentu. Računski postopek dekonvolucije pulznega odziva ablacijskega sistema, ki uporablja nizko disperzno ablacijsko celico, omogoča uporabo visokih hitrosti ponavljanja laserskih pulzov in hkratno ločbo posameznih signalov. Tako zagotovimo ohranitev prostorske informacije povezane s posameznim laserskim pulzom. S pravilno uporabo novega postopka dosežemo izredno prostorsko ločljivost, ki prekaša katerikoli drug La-iCp-MS oslikovalni pristop in tako omogoča lateralno ločljivost manjšo od dimenzije laserskega žarka, Anal. Chem. 87 (2015) 6125, IF = 5,636.

Načini uporabe laserska ablacija - ICP-MS metode razvite za določevanje 1D, 2D in 3D elementne porazdelitve s protokoli globinskega proiliranja in oslikovanja.

Operational laser ablation - ICP-MS modes developed for 1D, 2D and 3D determination of elemental distributions via depth proiling and mapping protocols.

2. Guaiacol is a wood-burning pollutant. its aqueous-phase nitration under atmospheric conditions was studied by an experimental-modeling approach and critically discussed. The experimental data were very well itted by the model function accounting for no2• and no2+ as nitrating agents. The results contribute substantially to the understanding of methoxyphenol aging in the atmospheric waters and underline the importance of including the electrophilic aromatic substitution in atmospheric models, Environ. Sci. Technol. 49 (2015) 9150, IF = 5.33.

3. pre- and post-acquisition procedures were developed for enhancing the lateral resolution in elemental imaging by La-iCp-MS. Signal deconvolution of the pulse response peaks generated by a low-dispersion La cell enables higher repetition rates while permitting single pulse isolation, thus ensuring that the spatial information associated with each pulse remains accessible. When correctly implemented, the spatial resolving power of the methodology surpasses that of any other in LA-ICP-MS, as a lateral resolution below the beam dimensions can be obtained, Anal. Chem. 87 (2015) 6125, IF = 5.636.

53

4. Za študij površinske degradacije stekla smo preiskovali spremembe v plasteh štirih vzorcev starodavnega stekla z La-iCp-MS. Uporabili smo počasen (1 Hz) in hiter (10 Hz) način pulznega laserskega vrtanja v trajanju 50 s. Tako smo pridobili podrobno prostorsko informacijo za ca. 20 elementov do globine ca. 5 µm oz. manj podrobno informacijo za 50 - 60 elementov do globine ca. 50 µm. Povečanje vsebnosti SiO2 (v % m/m) v degradiranih slojih stekla smo povezali s spremembo volumske masne gostote stekla zaradi zmanjšanja vsebnosti na2o in K2O, Anal. Bioanal. Chem. 407 (2015) 3377, IF = 3,436.

5. Razvili smo elektrokemijski senzor na osnovi ogljikove paste modiicirane s srebrovimi nanodelci (agnps) za merjenje nizkih koncentracij nitritnih ionov. ogljikov prah smo modiicirali z AgNPs, hidrofobna ionska tekočina pa je služila kot vezivo. Pokazali smo, da imajo agnps ugoden elektrokatalitski vpliv na oksidacijo nitrita. Za dosego optimalnih elektroanalitskih zmogljivosti je bil senzor izpostavljen oksidacijsko-redukcijskemu napetostnemu ciklu srebra in tako izkazoval linearen voltametrični odziv v širokem območju 0,05 - 1,0 mmol L-1, spodnjo mejo zaznave 3 μmol L-1 in odlično ponovljivost z RSD 0,3 %, Electrochem. Commun. 52 (2015) 45, IF = 4,847.

4. To study the surface degradation of glass, alteration layers of four ancient glass artifacts were investigated by La-iCp-MS in laser drilling mode, either with a low (1 Hz) or a high (10 Hz) pulse repetition rate for a period of 50 s. This yielded detailed spatial information for ca. 20 elements over a depth of ca. 5 μm or less-detailed spatial information for 50 - 60 elements over a depth of ca. 50 μm. We were able to associate the increase of Sio2 (in wt%) in the degraded layers to the volumetric mass density change in the glass as a result of depletion of na2o and K2O, Anal. Bioanal. Chem. 407 (2015) 3377, IF = 3.436.

5. We developed an electrochemical sensor based on carbon paste modiied with silver nanoparticles (agnps) for measuring low concentrations of nitrite ions. The carbon powder was decorated with agnps and a hydrophobic ionic liquid served as the binder. it has been shown that agnps exhibit a favorable electrocatalytic efect on the nitrite oxidation. For optimal electroanalytical performance the sensor was conditioned via silver oxidation/reduction potential cycle revealing a linear voltammetric response in a wide concentration range of 0.05 - 1.0 mmol L-1, limit of detection of 3 μmol L-1 and excellent repeatability with RSD of 0.3%, Electrochem. Commun. 52 (2015) 45, IF = 4.847.

Kvantitativna porazdelitev cinka na območju hipokampusa v rezini podganjih možganov določena z laserska ablacija - ICP-MS elementnim oslikovanjem. Oslikovanje: vsebina vsake točke je predstavljena z intenziteto glede na 65000 stopenj (16 bitna slika). Siva slika: mikroskopska fotograija.

Quantitative zinc distribution in the hippocampus region of a rat brain cross-section determined by laser ablation - ICP-MS elemental mapping. Mapping: the content of each pixel (cps) is converted into an image density based on 65000 levels (16 bit image). Gray image: microscopic photography.


5 NAJVEČJIH DOSEŽKOV v ZaDnJiH 5 LETiH • Strupenost aromatskih onesnaževal zaradi

transformacij pri atmosferskih pogojih z oddaljenostjo od izvora narašča, Scientiic Reports 5 (2015) 1, IF = 5,578.

• Razvoj submikrometerskega La-iCp-MS (laserska ablacija sklopljena z masno spektrometrijo) elementnega oslikovanja z resolucijo nižjo od velikosti laserskega žarka s pomočjo dekonvolucije signala, Analytical Chemistry 87 (2015) 6125, IF = 5,636.

• Razvoj eksperimentalno-modelnega pristopa za časovno sledenje kislinskega izluževanja svinca iz mikrodelcev svinčevega stekla, Journal of Hazardous Materials 262 (2013) 240, IF = 4,331.

• Razvoj metode za merjenje sledov živega srebra in svinca z okolju prijazno tankoslojno bakrovo elektrodo, Electrochemistry Communications 57 (2015) 1, IF = 4,847.

• Razvoj metode za adsorpcijsko katodno stripping voltametrično merjenje sledov niklja z in-situ pripravljeno tankoslojno antimonovo elektrodo, Electrochemistry Communications 20 (2012) 23, IF = 4,425.

5 Top aCHiEvEMEnTS in LaST 5 YEARS • Toxicity of aromatic pollutants increases

under remote atmospheric conditions, Scientiic Reports 5 (2015) 1, IF = 5.578.

• Sub-micrometer La-iCp-MS (laser ablation hyphenated with inductively coupled plasma mass spectrometry) elemental imaging below the laser beam size was achieved via image deconvolution approaches, Analytical Chemistry 87 (2015) 6125, IF = 5.636.

• an experimental-modeling approach was developed for following temporal acid leaching of lead from lead-glass microparticles, Journal of Hazardous Materials 262 (2013) 240, IF = 4.331.

• Method development for measuring trace mercury and lead with environmentally friendly copper ilm electrode, Electrochemistry Communications 57 (2015) 1, IF = 4.847.

• Method development for adsorptive cathodic stripping voltammetric measurement of trace nickel using the in-situ prepared antimony ilm electrode, Electrochemistry Communications 20 (2012) 23, IF = 4.425.

Predlagana reakcijska shema nitriranja gvajakola kot produkta gorenja lesa; gvajakol (1), 4-nitrogvajakol (2), 6-nitrogvajakol (3) in 4,6-dinitrogvajakol (4).

Proposed nitration reaction scheme of wood burning pollutant guaiacol; guaiacol (1), 4-nitroguaiacol (2), 6-nitroguaiacol (3) and 4,6-dinitroguaiacol (4).

55

RAZISKOVALCI/RESEARCHERS:dr. Ana Kroličdr. Bine Šebezdr. Bojan Budičdr. eva Menartdr. irena Grgićdr. Johannes t. van elterendr. Martin Šaladr. Sanja Frka Milosavljević (ne WFeLpro –Aeronar)dr. Vasko Jovanovskidr. Vid Simon Šelih

DOKTORSKI ŠTUDENTI/PhD STUDENTS:Kristijan VidovićMarta Debeljaktanja Zidarič

STROKOVNI SODELAVCI IN TEHNIČNOOSEBJE/TECHNICAL STAFF:Breda novakiris ŠtucinLidija Živec

ZASLUŽNI RAZISKOVALEC/RESEARCHER EMERITUS:dr. Božidar ogorevc


5 NAJBOLJŠIH ČLANKOV V ZNANSTVENIH REVIJAH V ZADNJIH 5 LETIH / THE 5 BEST ARTICLES IN SCIENTIFIC PUBLICATIONS IN THE LAST 5 YEARS1. The Molecular Identiication of Organic Compounds in the Atmosphere: State of the Art and Challenges (Review), Chemical Reviews 115 (2015) 3919, IF = 46,568.

2. Construction of a new class of tetracycline lead structures with potent antibacterial activity through biosynthetic engineering, Angewandte Chemie - International Edition 54 (2015) 3937, IF = 11,261.

3. A sulide/polysulide-based ionic liquid electrolyte for quantum dot-sensitized solar cells, Journal of the American Chemical Society 133 (2011) 20156, IF = 9,907.

4. Diferential cadmium and zinc distribution in relation to their physiological impact in the leaves of the accumulating Zygophyllum fabago L., Plant, Cell and Environment 37 (2014) 1299, IF = 6,96.

5. Diagnostics of anodic stripping mechanisms under square-wave voltammetry conditions using bismuth ilm substrates, Analytical Chemistry 84 (2012) 4429, IF = 5,695.




1 drugo učno gradivo other educational Material

2 objavljena povzetka znanstvenih prispevkov na konferencah (vabljeni predavanji)

published Scientiic Conference Contribution Abstracts (invited Lectures)




1 vabljeno predavanje na konferenci brez natisa Unpublished invited Conference Lecture

2 končni poročili o rezultatih raziskav Final research reports

2 uredništvi revij Journal editorships

57

Krilo muhe - pogled skozi leče elektronskega mikroskopaWing of a ly – overview using electron microscope


Okolje in tehnologija z roko v roki

GLavnE DEJavnoSTi LaboRaToRiJa • kataliza na področju varstva okolja:

• čiščenje odpadnih vod in pitne vode z naprednimi oksidacijskimi procesi

• produkcija vodika iz obnovljivih virov• odstranjevanje toplogrednih plinov

• pridobivanje bioplina iz organskih snovi:• pridobivanje bioplina iz industrijske

odpadne vode in blata iz bioloških čistilnih naprav

• pridobivanje bioplina iz trdnih organskih odpadkov – anaerobno kompostiranje

• biološko čiščenje onesnaženih vod:• reaktorji s pritrjeno biomaso (bioilm), šaržni

bioreaktorji (SBR), membranski bioreaktorji (MbR)

• bio/elektro/kemijski postopki• ekotoksikologija

• študije strupenosti kemikalij, biocidov in okoljskih vzorcev na vodne organizme

• študije hormonskih motilcev z estrogensko aktivnostjo v vodah

• meroslovje v kemiji na področju okolja• razvoj metod za ovrednotenje kakovosti

odpadnih vod• zagotavljanje sledljivosti in ocena merilne

negotovosti merilnih rezultatov

GLAVNI DOSEŽKI V LETU 2015V Laboratoriju za okoljske vede in inženirstvo so osnovne in aplikativne raziskave usmerjene na dve področji: (i) razvoj sodobnih procesov za čiščenje odpadnih voda; (ii) razvoj katalitskih

Bringing together the environment and technology

TopiC aREaS • environmental catalysis

• puriication of potable and waste water using advanced oxidation processes

• the production of hydrogen from renewable resources

• the removal of greenhouse gases• biogas production

• biogas production from industrial waste streams and waste sludge from biological treatment plants

• biogas production from solid waste – anaerobic composting and dry fermentation

• biological waste water treatment• bioilm reactors, sequencing batch reactors,

membrane bioreactors• bio/electro/chemical processes

• ecotoxicology• the aquatic toxicity of emerging

contaminants and realistic environmental samples

• estrogenic activity of potential endocrine disruptors in water

• metrology in chemistry for water analysis• the development and validation of analytical

methods for waste water quality evaluation

iMpoRTanT aCHiEvEMEnTS in 2015 in the Laboratory for Environmental Sciences and Engineering, basic and applied research is focused on two areas: (i) the development of advanced processes for the puriication of

l05Laboratory for Environmental Sciences and Engineering

Laboratorij za okoljske vede in inženirstvo

59

VODJA/HEADprof. dr. albin pintar / assoc. prof.

procesov za pridobivanje energije iz obnovljivih virov in pretvorbo toplogrednih plinov.

Na področju razvoja sodobnih procesov za čiščenje odpadnih voda se ukvarjamo s sintezo heterogenih katalizatorjev, apliciranih v čistilnih postopkih, kot so heterogena fotokatalitska oksidacija, katalitska mokra oksidacija, oksidacija z vodikovim peroksidom in katalitska ozonacija. v letu 2015 smo razvili nanokristalinične in nanokompozitne fotokatalizatorje, v katerih so prisotni trije polimori titanovega dioksida (anataz, rutil in brukit). Takšni fotokatalizatorji omogočajo boljšo separacijo nabojev v njihovi strukturi in s tem večjo učinkovitost (aktivnost, mineralizacija) za odstranjevanje prioritetnih organskih onesnažil iz odpadnih voda. Rezultati raziskave so objavljeni v reviji applied Catalysis

wastewater; (ii) the development of catalytic processes for the production of energy from renewable sources and the conversion of greenhouse gases.

Regarding the development of advanced processes for wastewater treatment, we are synthesizing heterogeneous catalysts to be applied in water treatment processes, such as heterogeneous photocatalytic oxidation, catalytic wet air oxidation, wet peroxide oxidation and catalytic ozonation. In 2015, we developed nanocrystalline and nanocomposite photocatalysts containing three polymorphs of titanium dioxide (anatase, rutile and brookite). Such photocatalysts allow the better separation of charges in their structure, which in turn facilitates greater eiciency (activity, mineralization) in the removal of priority organic

TEM posnetki nanokompozitnega fotokatalizatorja TiO2, vsebujoč polimorfe anataz, rutil in brukit (Kaplan et al., Appl. Catal. B, doi: 10.1016/j.apcatb.2015.08.027).

TEM images of TiO2 nanocomposite photocatalyst composed of anatase, rutile and brookite polymorphs (Kaplan et al., Appl. Catal. B, doi: 10.1016/j.apcatb.2015.08.027).


RAZISKOVALCI/RESEARCHERS:dr. Boštjan erjavecdr. Gregor Žerjavdr. ilja Gasan osojnik črnivecdr. Jasmina Kerčmardr. Magda Cotmandr. Moom Sinn Awdr. petar Djinovićdr. tatjana tišler

DOKTORSKI ŠTUDENTI/ PhD STUDENTS:Janvit teržanMaxim Zabilskiynina Drašinacpetra MuriRenata Kaplan

STROKOVNI SODELAVCI IN TEHNIČNO OSEBJE/TECHNICAL STAFF:Jelka GrdadolnikKatja percŠpela Božič

B: Environmental (Kaplan et al., doi: 10.1016/j.apcatb.2015.08.027).

preiskovali smo vpliv izpostavljenih kristalnih ravnin Ceo2 ({100}, {110} in {111}) na katalitsko aktivnost CuO, dispergiranega na kristalitih Ceo2 v obliki nanokock, nanopalic in poliedrov. Mobilnost kisikovih zvrsti in regeneracija aktivnih nanodelcev Cu, ki pomembno določata kinetiko katalitske razgradnje N2O, je enostavnejša na {100} in {110} kristalnih ravninah Ceo2. posledica tega je hitrejša rekombinacija površinskih kisikovih atomov in njihova desorpcija s površine heterogenega katalizatorja v obliki molekularnega kisika. To

pollutants from waste water. The research results are published in the journal applied Catalysis B: Environmental (Kaplan et al., doi: 10.1016/j.apcatb.2015.08.027).

We investigated the efect of terminating CeO2 crystalline planes ({100}, {110} and {111}) on the catalytic activity of CuO, dispersed over Ceo2 nanocubes, nanorods and polyhedral crystallites. oxygen mobility and regeneration of the active Cu phase, which signiicantly inluence the kinetics of catalytic n2O decomposition, is easier on {100} and {110} surface planes. This in turn facilitates increased catalytic activity through the recombination of surface oxygen

61

omogoča hitro regeneracijo aktivnih mest in rezultira v višjo katalitsko aktivnost. aktivacijska energija katalitskega razpada n2o na nanodelcih CuO, dispergiranih na nanopalicah CeO2, je nižja (87 kJ/mol) v primerjavi z nanokockami Ceo2 (102 kJ/mol) ali poliedri Ceo2 (92 kJ/mol). Morfologija Ceo2 mora biti načrtovana tako, da so na katalizatorju, uporabljenem v procesu katalitske razgradnje n2O, preferenčno izpostavljene reaktivne kristalne ravnine {100} in {110}, kot so v nanopalicah CeO2. Rezultati raziskave so objavljeni v ugledni reviji ACS Catalysis (Zabilskiy et al., doi: 10.1021/acscatal.5b01044).

5 NAJVEČJIH DOSEŽKOV v ZaDnJiH 5 LETiH Objava znanstvenega članka v reviji ACS Catalysis:ZABILSKY, Maxim, DJINOVIĆ, Petar, TCHERNYCHOVA, Elena, TKACHENKO, Olga P., KUSTOV, Leonid M., PINTAR, Albin. Nanoshaped CuO/CeO [sub] 2 materials : efect of the exposed ceria surfaces on catalytic activity in N [sub] 2O decomposition reaction. ACS catalysis, ISSN 2155-5435, Sep. 2015, vol. 5, iss. 9, str. 5357-5365. http://pubs.acs.org/doi/abs/10.1021/acscatal.5b01044, doi: 10.1021/acscatal.5b01044. [COBISS.SI-ID 5747482]

Objava znanstvenega članka v reviji Applied Catalysis B: Environmental:KAPLAN, Renata, ERJAVEC, Boštjan, DRAŽIĆ, Goran, GRDADOLNIK, Jože, PINTAR, Albin. Simple synthesis of anatase/rutile/brookite TiO [sub] 2 nanocomposite with superior mineralization potential for photocatalytic degradation of water pollutants. applied catalysis. B, Environmental, ISSN 0926-3373. [Print ed.], Feb. 2016, vol. 181, str. 465-474, ilustr. http://www.sciencedirect.com/science/article/pii/S0926337315301004, doi: 10.1016/j.apcatb.2015.08.027. [COBISS.SI-ID 5753626]

Evropski patent:Osojnik Črnivec et al., Katalizator in proces za pretvorbo plinskih mešanic metana in ogljikovega dioksida v sintezni plin, EP 2926904a1

Zoisovo priznanje za pomembne znanstvene dosežke v kemijskem inženirstvu (prof. dr. Albin Pintar, 2011)

atoms and their desorption from the catalyst surface in the form of molecular oxygen, which replenishes active sites for subsequent catalytic cycles. As a consequence, CuO supported on Ceo2 nanorods demonstrated lower activation energy (87 kJ/mol) in the n2o decomposition reaction compared to Ceo2 nanocubes (102 kJ/mol) or polyhedral Ceo2 (92 kJ/mol). Ceo2 morphology in catalysts employed in the process of n2o decomposition needs to be tailored to expose {100} and {110} high-energy surface planes, as present in CeO2 nanorods. The results of this research are published in a prestigious journal ACS Catalysis (Zabilskiy et al., doi: 10.1021/acscatal.5b01044).

Top 5 aCHiEvEMEnTS in THE LAST 5 YEARS publication of a scientiic article in the journal ACS Catalysis:ZABILSKY, Maxim, DJINOVIĆ, Petar, TCHERNYCHOVA, Elena, TKACHENKO, Olga P., KUSTOV, Leonid M., PINTAR, Albin. Nanoshaped CuO/CeO [sub] 2 materials: efect of the exposed ceria surfaces on catalytic activity in N [sub] 2O decomposition reaction. ACS catalysis, ISSN 2155-5435, Sep. 2015, vol. 5, iss. 9, str. 5357-5365. http://pubs.acs.org/doi/abs/10.1021/acscatal.5b01044, doi: 10.1021/acscatal.5b01044. [COBISS.SI-ID 5747482]

publication of a scientiic article in the journal Applied Catalysis B: Environmental:KAPLAN, Renata, ERJAVEC, Boštjan, DRAŽIĆ, Goran, GRDADOLNIK, Jože, PINTAR, Albin. The simple synthesis of anatase/rutile/brookite TiO [sub] 2 nanocomposite with superior mineralization potential for the photocatalytic degradation of water pollutants. applied catalysis. B, Environmental, ISSN 0926-3373. [Print ed.], Feb. 2016, vol. 181, str. 465-474, ilustr. http://www.sciencedirect.com/science/article/pii/S0926337315301004, doi: 10.1016/j.apcatb.2015.08.027. [COBISS.SI-ID 5753626]

European patent:Osojnik Črnivec et al., Catalyst and the process for converting gas mixtures of methane and carbon dioxide into syngas, EP 2926904A1

Zois national award for signiicant achievements in chemical engineering (prof. Dr. Albin Pintar, 2011)


Nagrada za tretje mesto na inalu evropskega tekmovanja Emerging Technologies Showcase 2015 (RSC)

award for achieving third place in the inals of the European Competition Emerging Technologies Showcase 2015 (RSC)

Aktivnost materialov Cu/CeO2 v procesu katalitskega razpada N2O v prisotnosti kristalitov CeO2 različnih oblik (Zabilskiy et al., ACS Catalysis, doi: 10.1021/acscatal.5b01044).

Activity of Cu/CeO2 catalysts in the process of N2O decomposition over variously shaped CeO2 crystallites (Zabilskiy et al., ACS Catalysis, doi: 10.1021/acscatal.5b01044).

5 NAJBOLJŠIH ČLANKOV V ZNANSTVENIH REVIJAH V ZADNJIH 5 LETIH / THE 5 BEST ARTICLES IN SCIENTIFIC PUBLICATIONS IN THE LAST 5 YEARS1. ZABILSKY, Maxim, DJINOVIĆ, Petar, TCHERNYCHOVA, Elena, TKACHENKO, Olga P., KUSTOV,

Leonid M., PINTAR, Albin. Nanoshaped CuO/CeO [sub] 2 materials : efect of the exposed ceria surfaces on catalytic activity in N [sub] 2O decomposition reaction. ACS catalysis, ISSN 2155-5435, Sep. 2015, vol. 5, iss. 9, str. 5357–5365. http://pubs.acs.org/doi/abs/10.1021/acscatal.5b01044, doi: 10.1021/acscatal.5b01044. [COBISS.SI-ID 5747482]

2. KAPLAN, Renata, ERJAVEC, Boštjan, DRAŽIĆ, Goran, GRDADOLNIK, Jože, PINTAR, Albin. Simple synthesis of anatase/rutile/brookite TiO [sub] 2 nanocomposite with superior mineralization potential for photocatalytic degradation of water pollutants. Applied catalysis. B, Environmental, ISSN 0926-3373. [Print ed.], Feb. 2016, vol. 181, str. 465–474, ilustr. http://www.sciencedirect.com/science/article/pii/S0926337315301004, doi: 10.1016/j.apcatb.2015.08.027. [COBISS.SI-ID 5753626]

3. DJINOVIĆ, Petar, OSOJNIK ČRNIVEC, Ilja Gasan, ERJAVEC, Boštjan, PINTAR, Albin. Details behind the self-regeneration of supported NiCo/Ce [sub] (0.8)Zr [sub](0.2)O [sub] 2 bimetallic catalyst in the CH [sub] 4-CO [sub] 2 reforming reaction. ChemCatChem, ISSN 1867-3880, Jun. 2014, vol. 6, iss. 6, str. 1652–1663. http://onlinelibrary.wiley.com/doi/10.1002/cctc.201400059/abstract, doi: 10.1002/cctc.201400059. [COBISS.SI-ID 37294341]

4. ERJAVEC, Boštjan, KAPLAN, Renata, DJINOVIĆ, Petar, PINTAR, Albin. Catalytic wet air oxidation of bisphenol a model solution in a trickle-bed reactor over titanate nanotube-based catalysts. Applied catalysis. B, Environmental, ISSN 0926-3373. [Print ed.], Mar. 2013, vol. 132/133, str. 342–352. http://ac.els-cdn.com/S0926337312005759/1-s2.0-S0926337312005759-main. pdf?_tid=1d717f66-5a61-11e2-a709-00000aacb360&acdnat=1357738572_50e11fad064063322ba44a7c040d231d, doi: 10.1016/j.apcatb.2012.12.007. [COBISS.SI-ID 5149722]

5. DJINOVIĆ, Petar, OSOJNIK ČRNIVEC, Ilja Gasan, ERJAVEC, Boštjan, PINTAR, Albin. Inluence of active metal loading and oxygen mobility on coke-free dry reforming of ni-Co bimetallic catalysts. Applied catalysis. B, Environmental, ISSN 0926-3373. [Print ed.], Aug. 2012, vol. 125, str. 259–270. http://www.sciencedirect.com/science/article/pii/S0926337312002524, doi: 10.1016/j.apcatb.2012.05.049. [COBISS.SI-ID 5011482]

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1 samostojni znanstveni sestavek ali poglavje v monografski publikaciji

independent Scientiic Component part or a Chapter in a Monograph

10 objavljenih znanstvenih prispevkov na konferencah published Scientiic Conference Contributions

1 objavljeni strokovni prispevek na konferenci published professional Conference Contribution



3 objavljeni povzetki znanstvenih prispevkov na konferencah


1 patentna prijava patent Application

2 predavanji na tujih univerzah invited Lectures at Foreign Universities


4 vabljena predavanja na konferencah brez natisa Unpublished invited Conference Lectures

15 končnih poročil o rezultatih raziskav Final research reports

2 elaborata, predštudiji, študiji treatises, preliminary Studies, Studies

2 diplomi Undergraduate theses

2 magisterija Master's theses

2 doktorata Doctoral Dissertation

3 uredništva revij Journal editorships


Kako dobra je naša hrana?

GLavnE DEJavnoSTi LaboRaToRiJa Raziskovalno in razvojno delo Laboratorija za prehrambeno kemijo je usmerjeno predvsem v študij spojin naravnega izvora, za katere obstajajo ugotovitve, da imajo koristen vpliv na človeški (in živalski) organizem, vendar njihovo proučevanje tudi v svetu še traja. Naše dejavnosti obsegajo:• razvoj validiranih analiznih metod, večinoma

kromatografskih, za potrebe raziskovalnega dela in za potrebe naročnikov iz industrije in drugih institucij

• izolacijo spojin iz naravnih materialov in njihovo identiikacijo s pomočjo kromatografskih ter spektroskopskih tehnik

• pripravo novih oblik naravnih biološko aktivnih spojin, s katerimi se poveča obstojnost teh spojin in se spremenijo nekatere druge lastnosti ter karakterizacijo teh novih materialov

• razvoj novih prehranskih dopolnil in njihovo vrednotenje

• izvajanje analiz s področja analitike živil, prehranskih dopolnil, zdravil in bioloških vzorcev

GLAVNI DOSEŽKI V LETU 2015 prek neciljanega pristopa smo razvili metodo TLC , metodi HPLC–UV–MSn in HPLC–UV ter postopek hkratne izolacije neznanih metiliranih lavonoidov iz kutikularnih voskov navadnega volčjega jabolka (Physalis alkekengi L.), katerih strukture smo določili z NMR-spektroskopijo.

How »good« is our food?

TopiC aREaS The research and development activities of the Laboratory for Food Chemistry are primarily focused on studies of compounds from natural sources that have a beneicial efect on the human (and animal) organism, but are still under investigation in the world.Our activities include:• the development of validated analytical

methods, mainly chromatographic, for research and for clients from industry and other institutions

• the isolation of compounds from natural materials, their identiication by means of chromatographic and spectroscopic techniques

• the preparation of new forms of natural biologically active compounds that enhance the stability of these compounds and change certain other properties, and the characterization of these new materials

• the development of new food supplements and their evaluation

• analysis of foods, food supplements, medicines and biological samples

iMpoRTanT aCHiEvEMEnTS in 2015 Via a non-targeted approach, we developed TLC, HPLC–UV–MSn, HPLC–UV methods and a procedure for the simultaneous isolation of unknown Physalis alkekengi L. cuticular wax methylated lavonoids. The structures were elucidated using nMR spectroscopy. The isocratic HPLC–UV–MSn method should prove

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VODJA/HEADdr. irena vovk

Izokratska metoda HPLC–UV–MSn omogoča hiter in enostaven nadzor kakovosti zdravilne rastline P. alkekengi L. predlagali smo razlago mehanizma ločbe teh sekundarnih metabolitov in s tem podali temelje za bodoče separacije metiliranih lavonoidov in sorodnih spojin.

Standarde triterpenoidov (6) in itosterolov (2), ki vsebujejo funkcionalno skupino, smo derivatizirali v sulfate in razvili metodo HpLC-MS/MS za njihovo določanje, kar je omogočilo ločbo vseh pozicijskih izomer. Razvili smo tudi postopek ekstrakcije na trdni fazi in s tem izboljšali občutljivosti metode, katere uporabnost smo potrdili z derivatiziranim ekstraktom kutikularnih voskov zelja.

Razvili smo več metod TLC-MS, ki prve po separaciji na diolni stacionarni fazi omogočajo on-line MS-detekcijo proantocianidinov po

useful in quality control of the medicinal plant P. alkekengi L.. a rationale for the mechanism of separation of methylated lavonoids was also given, which establishes a foundation for the future development of chromatographic methods for these secondary metabolites and related compounds.

Sulphate derivatives were obtained by derivatization of triterpenoid (6) and phytosterol (2) standards with functional groups and were used for the development of an HpLC-MS/MS method for their analysis, which enabled the separation of all studied positional isomers. We also developed a solid phase extraction procedure that resulted in better sensitivity of the method, the applicability of which was proved with a derivatized extract of cuticular white cabbage waxes.

We developed the irst TLC-MS methods,

Organizacija mednarodnega simpozija s področja separacijskih znanosti »21st

International Symposium on Separation Sciences«, ki je potekal od 30. junija do 3. julija 2015 v Grand Hotelu Union, Ljubljana (www.isss2015.si; 269 udeležencev iz 38 držav).

Organisation of »21st International Symposium on Separation Sciences« which was held from June 30th till July 3rd, 2015 in Grand Hotel Union, Ljubljana (www.isss2015.si; 269 participants from 38 countries).


stopnji polimerizacije ter z njimi prvi v svetu v koreninah invazivne tujerodne rastline japonski dresnik (Polygonum cupsidatum L.) določili zaestrene proantocianidine do heksamer galatov in proste proantocianidine do dekamerov.

Izdelali smo silikagelne TLC-plošče, ki v primerjavi s komercialnimi pri enakih eksperimentalnih pogojih omogočajo dvakrat hitrejšo analizo standardne zmesi fenolnih kislin in primerljivo ločljivost. To je prvi korak pri izdelavi kombiniranih plošč za ortogonalno dvodimenzionalno tankoplastno kromatograijo, ki v nasprotju z večino drugih tehnik omogoča analizo zelo kompleksnih naravnih vzorcev ali vzorcev živil na enostaven način.

Mehanizem delovanja propargilaminskih zaviralcev na encim monoaminsko oksidazo (MAO) še ni povsem pojasnjen, zato imajo trenutna zdravila za uravnavanje tega encima različne stranske učinke. V sklopu raziskav ireverzibilne inhibicije Mao s temi zaviralci smo določili strukturo adukta med encimom in zaviralcem ter pokazali, da ta vsebuje cianinski fragment, ki omogoča stabilizacijo nastale spojine. Raziskave mehanizma delovanja, ki še trajajo, pa bodo omogočale racionalno načrtovanje zdravil novih generacij, ki bodo bolj učinkovite in speciične.

Separacija, izolacija in identiikacija metiliranih lavonoidov kutikularnih voskov rastline Physalis alkekengi L..

Separation, isolation and identiication of cuticular wax methylated lavonoids from Physalis alkekengi L..

which after separation on the diol-stationary phase enable on-line MS detection of proanthocyanidins according to their degree of polymerisation. Furthermore, we were the irst who identiied esteriied proanthocyanidins up to hexamers and non-esteriied proanthocyanidins up to decamers in the roots of the invasive alien species Japanese knotweed (Polygonum cupsidatum L.).

We prepared home-made silica gel TLC plates that enable two times faster separation of a standard mixture of phenolic acids compared to commercial ones under the same experimental conditions. They also give a comparable resolution. These plates represent the irst phase in making combined plates for orthogonal two-dimensional thin-layer chromatography, which unlike most of the other techniques, enables the analysis of very complex natural or food samples in a straightforward manner.

The mechanism of monoamine oxidase (Mao) inhibition by propargylamines is still a subject of debate and therefore, the current drugs which regulate the activity of this enzyme have various side efects. In the course of our research on irreversible MAO inhibition, we elucidated the structure of the adduct between the enzyme and the inhibitor, which revealed the cyanin fragment responsible for the energetically stable compound. The ongoing mechanism research will provide invaluable insight for the future rational design of drugs, which will prove more efective and speciic.

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RAZISKOVALCI/RESEARCHERS:dr. Alen Albrehtdr. Katerina naumoska (od/from 13. 10. 2015)dr. Mitja Križmandr. Vesna Glavnikdr. Zoran Kitanovski (do/until 30. 6. 2015)

DOKTORSKI ŠTUDENTI/PhD STUDENTS:eva Kranjc

STROKOVNI SODELAVCI IN TEHNIČNOOSEBJE/TECHNICAL STAFF:Andreja StarcDamjan Jan pavlica Mateja puklavec

5 NAJVEČJIH DOSEŽKOV V ZaDnJiH 5 LETiH • Uvedene nove analizne tehnike: UTLC-MS,

TLCxMS, TLCxGC.

• pripravljen kompleks pigmenta šikonina z β-laktoglobulinom, ki je do 181-krat bolj vodotopen kot šikonin sam. To zanimivo odkritje širi možnosti uporabe šikonina.

• Razvit postopek enkapsulacije rastlinskega ekstrakta s ksantoili v naravne polimere (maltodekstrin, sirotkini proteini) z uporabo sušilnika z razprševanjem.

• Z dodatkom enkapsuliranega ksantoilnega rastlinskega ekstrakta v krmo kokoši nesnic

Top 5 aCHiEvEMEnTS in THE LAST 5 YEARS • The introduction of new analytical techniques:

TLCxMS, UTLC-MS, TLCxGC.

• The preparation of a shikonin-β-lactoglobulin complex with up to 181-fold higher aqueous solubility compared to shikonin alone. This discovery enables the broader use of shikonin.

• The development of a procedure for the encapsulation of xanthophyll plant extract in natural polymers (maltodextrin, whey proteins) by means of spray drying.

• The addition of encapsulated xanthophyll plant extract to egg-laying hen feed induces


doseženo znatno povečanje vsebnosti zeaksantina in β-kriptoksantina v jajčnih rumenjakih (študija s podjetjem Emona RCp d.o.o.).

• Razvit novi vodotopni kompleks koencima Q10 z dekstrinom iz koruznega škroba je bil kot dodatek v krmo piščancev in kokoši nesnic uporabljen v industrijski vzreji v perutnini ptuj in je dokazano ugodno vplival na prirejo in zdravstveno stanje proučevanih živali.

HPTLC ločba in identiikacija proantocianidinov iz korenin japonskega dresnika (Polygonum cupsidatum L.) z masno spektrometrijo.

HPTLC separation and mass spectrometric identiication of proanthocyanidins from the roots of Japanese knotweed (Polygonum cupsidatum L.).

a signiicant zeaxanthin and β-cryptoxanthin increase in egg yolk (study with company Emona RCp d.o.o.).

• a new developed water-soluble complex coenzyme Q10 with dextrin from corn starch was used as an additive for chicken and egg-laying hen feed in industrial rearing in Perutnina Ptuj d.d and had positive efects on the productivity and health of investigated animals.

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5 NAJBOLJŠIH ČLANKOV V ZNANSTVENIH REVIJAH V ZADNJIH 5 LETIH / THE 5 BEST ARTICLES IN SCIENTIFIC PUBLICATIONS IN THE LAST 5 YEARS1. VOVK, Irena, POPOVIĆ, Gordana V., SIMONOVSKA, Breda, ALBREHT, Alen, AGBABA, Danica. Ultra-

thin-layer chromatography mass spectrometry and thin-layer chromatography mass spectrometry of single peptides of angiotensin-converting enzyme inhibitors. Journal of Chromatography A, ISSN 0021-9673, 2011, vol. 1218, no. 20, str. 3089–3094, doi: 10.1016/j.chroma.2011.03.039. [COBISS.Si-iD 4647962]

2. ALBREHT, Alen, VOVK, Irena. Applicability of analytical and preparative monolithic columns to the separation and isolation of major whey proteins. Journal of Chromatography A, ISSN 0021-9673, 2012, vol. 1227, str. 210–218, doi:10.1016/j.chroma.2012.01.011. [COBISS.SI-ID 4909850]

3. SIMONOVSKA, Breda, VOVK, Irena, GLAVNIK, Vesna, ČERNELIČ, Katarina. Efects of extraction and high-performance liquid chromatographic conditions on the determination of lutein in spinach. Journal of Chromatography A, ISSN 0021-9673, 2013, vol. 1276, str. 95–101, doi: 10.1016/j.chroma.2012.12.032. [COBISS.SI-ID 5168410]

4. NAUMOSKA, Katerina, VOVK, Irena. Analysis of triterpenoids and phytosterols in vegetables by thin-layer chromatography coupled to tandem mass spectrometry. Journal of Chromatography A, ISSN 0021-9673, Feb. 2015, vol. 1381, str. 229–238, doi: 10.1016/j.chroma.2015.01.001. [COBISS.Si-iD 5635354]

5. KRIŽMAN, Mitja, PUŠAR, Alenka. Comprehensive thin layer chromatography x gas chromatography using headspace sampling modulation: a case study on fatty acid composition analysis. Journal of Chromatography A, ISSN 0021-9673, jul. 2015, vol. 1405, str. 149–155, doi: 10.1016/j.chroma.2015.05.011. [COBISS.SI-ID 5728538]









1 patent patent


1 magisterij Master's thesis




Funkcionalni polimeri, polimerni nanokompoziti in porozni funkcionalni

nanokompozitni polimeri za trajnostno

uporabo in biomedicinske aplikacije

GLavnE DEJavnoSTi LaboRaToRiJa • funkcionalni polimeri za biomedicinske

aplikacije• polimeri in polimerni materiali iz obnovljivih

surovin• materiali s permanentno porozno strukturo• polimerni nanokompoziti• razvojne industrijske raziskave in storitve za

trg

GLAVNI DOSEŽKI V LETU 2015 Prenos znanja, zaščiteno s patentom SI24656: Priprava nanokristalinične celuloze (podeljen v letu 2015), v industrijo je izkazan s postavitvijo proizvodnje nanokristalinične celuloze v GGP, Gozdnem gospodarstvu Postojna, kjer inovativni postopek sinteze in izolacije nanoceluloze optimiziramo na pilotni ravni.

Različno modiicirano nanokristalinično celulozo smo uspešno uporabili kot nanopolnilo pri polimerizaciji metilmetakrilata v masi in tako pripravili polimetilmetakrilat/nanocelulozne kompozitne plošče z izboljšanimi mehanskimi lastnostmi pri istočasno neposlabšani transparentnosti plošč za vidno svetlobo (Cellulose, DOI 10.1007/s10570-015-0786-9).

Pokazali smo, da se sorbitan monooleat (Span 80), ki smo ga uporabili kot površinsko aktivno

Functional polymers, polymer nanocomposites and functional porous

nanocomposites for sustainable use and

biomedical applications

TopiC aREaS • functional polymers for biomedical

applications• polymers and polymeric materials from

renewable resources• materials with permanent porosity• polymer-based nanocomposites• applied and development research for

industrial partners

iMpoRTanT aCHiEvEMEnTS in 2015 The knowledge protected by the patent SI24656: “preparation of nanocrystalline cellulose” (granted in 2015) was transferred to the industrial partner GGP, Gozdno gospodarstvo Postojna d.o.o., where the innovative process for nanocellulose production and isolation has been optimized on the pilot level.

Diferently modiied nanocrystalline cellulose was successfully applied as a nanoiller in the bulk polymerization of methylmethacrylate to prepare the polymethylmethacrylate/nanocellulose composite plates with improved mechanical properties and, at the same time, impaired visible light transparency (Cellulose, Doi 10.1007/s10570-015-0786-9).

We have demonstrated that sorbitan monooleate (Span 80) used as a surfactant

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VODJA/HEADdr. Ema Žagar

for the high internal phase emulsion (HipE) templating of ROMP-able oleinic monomers results in the formation of fully open macroporous polymeric foams with a covalently incorporated surfactant to the polymer matrix due to the chain transfer reaction. Such functionalization of poly(cyclooctene) strands increased the polarity of the foam’s surface (Chem. Commun. 2015, 51, 7725-7728). application of this fundamental concept to other RoMp-able formulations is currently ongoing in our laboratory.

Metal-organic Framework nanoparticles (MoFs) in combination with a non-ionic surfactant were used to stabilize dicyclopentadiene (DCpD)-in-water HipEs. The resulting HipEs containing the MiL-100(Fe) nanoparticles at the interface between the oil and water phases were then cured to obtain 100 μm thick, fully open, hierarchically porous hybrid membranes containing up to 14 wt% of the MoFs. Hybrid membranes showed an appealing catalytic activity in Friedel-Crafts alkylation in batch and low-through mode, thereby demonstrating the preserved accessibility of Lewis acidic sites of the MoFs incorporated in the membrane (Macromol. Rapid. Commun. 2015, 36, 1605-1611).

In the past few years, extracellular vesicles called exosomes have gained huge interest from the scientiic community since they show a great potential for human diagnostic and therapeutic applications. However, an ongoing challenge is their accurate size characterization and quantiication due to lack of reliable characterization techniques. Therefore, our work focused on developing a method to size-separate, characterize and quantify small

sredstvo emulzije z visoko vsebnostjo interne faze za ROMP-polimerizacijo oleinskega monomera, kovalentno vgradi v nastalo makroporozno polimerno matrico z odprto celično strukturo. Tako smo dokazali, da lahko z uporabo nenasičenih površinsko aktivnih sredstev modiiciramo površino poroznih poli(ciklooktenskih) polimerov in tako spremenimo polarnost površine skeleta (Chem.Commun. 2015, 51, 7725–7728). Uporabo tega temeljnega koncepta v drugih formulacijah, ki polimerizirajo z ROMP mehanizmom, nadalje raziskujemo v našem laboratoriju.

Kovinoorganske strukturirane nanodelce (MoFi) smo v kombinaciji z neionskim površinsko aktivnim sredstvom uporabili za stabilizacijo diciklopentadiena (DCpD) v HipE-emulzijah. Nastale HIPE-emulzije, ki vsebujejo nanodelce MIL-100(Fe) na stiku med oljno in vodno fazo, smo nato zamrežili in tako sintetizirali 100 μm debele hibridne membrane s hierarhično, popolnoma odprto porozno strukturo, ki vsebujejo do 14 ut% MoF-ov. Hibridne membrane so izkazale katalitično aktivnost za Friedel-Crafts alkilacijo tako v šaržnem kot v pretočnem sistemu, kar dokazuje dostopnost Lewisovih kislinskih mest MOF-ov, vgrajenih v membrano (Macromol. Rapid. Commun. 2015, 36, 1605–1611).

v zadnjih nekaj letih so raziskave intenzivno usmerjene v zunajcelične vezikle, tako imenovane eksosome, saj kažejo velik potencial za diagnostične in terapevtske namene. Zaradi pomanjkanja zanesljivih metod karakterizacije eksosomov jih je težko natančno kvantiicirati in opredeliti njihovo velikost. naše delo je bilo tako usmerjeno v razvoj metode za ločitev majhnih količin eksosomov po velikosti s pretočnim


amounts of exosomes using an asymmetrical-low ield-low fractionation (AF4) technique coupled to a multi-detection system (Uv and multi-angle light-scattering, MALS). Batch DLS and nTa analyses of unfractionated exosomes were also conducted in order to evaluate their shape, internal structure and number density (Anal. Chem. 2015, 87, 9225-9233).

The aF4-MaLS technique was used also for the size characterization of the trioleoylglycerol lipid droplets covered by a monolayer of sphingomyelin and cholesterol in a water phase, and large unilamellar lipid vesicles composed of sphingomyelin and cholesterol (J. Chromat. A 2015, 1418, 185-191).

Patent applications: “PEG-based dendron and process for producing the same” Wo application No: PCT/EP15190800.1., and “Polyoxometalate Salts, Proton Exchange Membranes and Precursors, Membrane-Electrode Assemblies, Fuel Cells and Methods”, WO Application No: PCT/EP2014/070697.

sistemom ob uporabi prečnega pretoka (angl.: asymmetrical-low ield-low fractionation, AF4). Tako ločenim eksosomom smo določili velikost in jih kvantiicirali z zaporedno vezanima UV-detektorjem in detektorjem, ki meri sipano svetlobo pri več kotih (MALS). Nefrakcionirani vzorec eksosomov smo opredelili tudi s tehnikama DLS in NTA, da smo dodatno opredelili obliko, notranjo strukturo in številčno gostoto eksosomov (Anal. Chem. 2015, 87, 9225–9233).

Tehniko aF4-MaLS smo uporabili tudi za opredelitev velikosti trioleoilglicerol lipidnih kapljic, obdanih s plastjo singomielina in holesterola v vodni fazi, in velikih enoslojnih lipidnih veziklov, sestavljenih iz singomielina in holesterola (J. Chromat. A 2015, 1418, 185-191).

Patentni prijavi: PEG dendroni in sintezni postopek priprave, št. WO prijave: PCT/EP15190800.1, in Soli polioksometalatov, Proton izmenjevalne membrane in prekurzorji, membransko-elektrodni sklopi, gorivne celice in metode, št. WO prijave: PCT/EP2014/070697.

Kovalentna vključitev površinsko aktivnega sredstva v HIPE-polimerno porozno matrico kot metoda za modiikacijo površine skeleta. Vir: Chem.Commun. 2015, 51, 7725–7728.

Covalent incorporation of the surfactant into high internal phase emulsion templated polymeric foams as a method for the modiication of the foam’s surface. Source: Chem.Commun. 2015, 51, 7725-7728.

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Top 5 aCHiEvEMEnTS in THE LAST 5 YEARS Members of the laboratory are involved in various associations and networks such as the Central and East European polymer network (www.ceepn.org) and the European polymer Federation (www.europolyfed.org). Stakeholders are also involved in projects and programs, i.e. as a coordinator in the program Central Europe: Innovative Value Chain Development for Sustainable plastics and Central Europe (acronym: PLASTiCE, No.: 3CE368P1, www.plastice.org, 13 partners from 4 countries), and as a coordinator in the program IPA Adriatic: Derelict Fishing Gear Management System in the Adriatic Region, (acronym: DeFishGear, No.: STR/00010, www.deishgear.net, www.sustainableplastics.eu, 16 partners from 7 countries).

Laboratory for polymer chemistry and technology was the leading partner and founder of the Center of Excellence for polymer Materials and Technologies. We joined 22 partners, research institutes, universities, companies and one private high school. The project was inanced for 4 years with 10M €. Strong cooperation of RD organizations and companies resulted in 7 patent applications, over 50 inventions and over 100 research papers.

Members of the Laboratory are the authors of several granted Slovenian and international patents (EP 1685618 (B1): Ion conducting

composite membranes, SI24656: Preparation of nanocrystalline cellulose, SI24049: Aliphatic polyesteramide dendrimers), and patent applications (PCT/SI2014/000052: Fluoro-polymer composites with adapted friction properties,

EP11003655.5: Method of producing fuel by the liquefaction of cellulose-containing solid materials, EP2639247 (A1): Method for producing porous structures, EP12170085.0-1213: Method for producing a porous carbon material and the

porous carbon material that can be produced by

the process, PCT/EP2014/070697: Polyoxometalate Salts, Proton Exchange Membranes and Precursors, Membrane-Electrode Assemblies, Fuel Cells and Methods, EP15190800.1.: PEG-based dendron and process for producing the

same, EP13183614.0: Polymer selection for the

5 NAJVEČJIH DOSEŽKOV v ZaDnJiH 5 LETiH Člani laboratorija so vključeni v različne povezave in mreže, kot sta Central and East European polymer network (www.ceepn.org) in European polymer Federation (www.europolyfed.org). Deležniki so prav tako vključeni v projekte in programe, na primer kot koordinatorji v okviru programa Centralna Evropa: Innovative value chain development for sustainable plastics in Central Europe (acronym: PLASTiCE, No.: 3CE368P1, www.plastice.org, 13 partnerjev iz 4 držav), in kot koordinatorji v okviru programa IPA Adriatic: Derelict Fishing Gear Management System in the adriatic Region, (acronym: DeFishGear, No.: STR/00010, www.deishgear.net, www.sustainableplastics.eu, 16 partnerjev iz 7 držav).

Laboratorij za polimerno kemijo in tehnologijo je bil vodilni partner in ustanovitelj Centra odličnosti Polimerni materiali in tehnologije. Center odličnosti povezuje 22 partnerjev, to je raziskovalnih inštitutov, univerz, eno zasebno srednjo šolo in podjetja. Projekt je bil inanciran za obdobje štirihi let z 10 milijoni evrov. Rezultat uspešnega sodelovanja RD-organizacij in podjetij je sedem patentnih prijav, več kot 50 izumov in več kot 100 raziskovalnih člankov.

Člani laboratorija so avtorji več podeljenih slovenskih in mednarodnih patentov (Ep 1685618 (B1): Ion conducting composite

membranes, SI24656: Preparation of nanocrystalline cellulose, SI24049: Aliphatic polyesteramide dendrimers), in patentnih prijav (PCT/SI2014/000052: Fluoro-polymer composites with adapted friction properties, EP11003655.5: Method of producing fuel by liquefaction of

cellulose-containing solid materials, EP2639247 (A1): Method for producing porous structures, EP12170085.0-1213: Method for producing a porous carbon material and porous carbon

material which can be produced by the process,

PCT/EP2014/070697: Polyoxometalate Salts, Proton Exchange Membranes and Precursors, Membrane-Electrode Assemblies, Fuel Cells and Methods, EP15190800.1.: PEG-based dendron and process for producing the same, EP13183614.0: Polymer selection for preparation of nanoparticles with high protein loading, WO 2011/042463 (A2): Pharmaceutical composition comprising poorly


preparation of nanoparticles with high protein

loading, WO 2011/042463 (A2): Pharmaceutical composition comprising poorly soluble active

ingredient and hyperbranched polymer).

The Laboratory for polymer Chemistry and Technology annually earns more than 100 k € with R&D projects for industrial partners.

Members of the Laboratory are involved in the educational process and are mentors to graduate, masters and doctoral students.

Puch award for innovations, research results and their application in the ield of the replacement of crude oil products with renewable resources.

THE 5 bEST aRTiCLES in SCiEnTiFiC pUbLiCaTionS in THE LAST 5 YEARS our laboratory had focused on the comprehensive characterization of hyperbranched polymers, which cumulated in a review paper entitled “aliphatic Hyperbranched Polyesters Based on 2,2-bis(methylol)propionic Acid - Determination of Structure, Solution and Bulk Properties”, published in the prestigious journal Progress in Polymer Science (E. Žagar and M. Žigon, 2011, 36, 53-88, IF 24.1), and was cited more than 80 times.

soluble active ingredient and hyperbranched

polymer.

Laboratorij za polimerno kemijo in tehnologijo z raziskovalno razvojnimi projekti in storitvami za industrijske partnerje letno zasluži več kot 100 tisoč evrov.

Člani laboratorija so vključeni v izobraževalni proces in so mentorji diplomantom, magistrskim in doktorskim študentom.

Puhovo priznanje za izume, razvojne dosežke in uporabo znanstvenih izsledkov na področju obnovljivih virov ter njihove uporabe kot nadomestek surovin iz surove nafte.

5 NAJBOLJŠIH ČLANKOV V ZnanSTvEniH REviJaH v ZaDnJiH 5 LETiH Naš laboratorij je bil osredotočen na celostno karakterizacijo razvejenih polimerov. Rezultati raziskav s tega področja so objavljeni v preglednem članku z naslovom Alifatski razvejeni poliestri na osnovi 2,2-bis(metilol)propionske kisline – določevanje strukture, lastnosti raztopin in lastnosti v trdnem stanju, v prestižni reviji Progress in Polymer Science (E. Žagar in M. Žigon, 2011, 36, 53-88, IF 24,1), ki je citiran več kot 80-krat.

AF4-MALS-fraktogram vzorca eksosoma in številčna gostota (delci/mL) kot funkcija elucijskega volumna, skupaj s TEM-mikrograijama, ki kažeta prisotnost manjših veziklov in večjih eksosomov v vzorcu. Vir: Anal. Chem. 2015, 87, 9225–9233.

AF4-MALS fractogram of the exosome sample and number density (particles/mL) as a function of the elution volume together with TEM micrographs, indicating the presence of small vesicles and large exosomes in the sample. Source: Anal. Chem. 2015, 87, 9225-9233.

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S. Kovačič, F. Preishuber-Plügl, D. Pahovnik, E. Žagar, C. Slugovc, Covalent Incorporation of the Surfactant into High internal phase Emulsion Templated Polymeric Foams, Chem. Commun. 2015, 51, 7725-7728, IF = 6.718. In the ield of materials with permanent porosity, we demonstrated that sorbitan monooleate (Span 80) used as a surfactant for the high internal phase emulsion (HipE) templating of RoMp-able oleinic monomers results in the formation of fully open macroporous polymeric foams with a covalently incorporated surfactant into the polymer matrix due to chain transfer reaction. Such functionalization of poly(cyclooctene) strands increased the polarity of the foam’s surface.

M. Kunaver, E. Jasiukaityte, N. Čuk, Ultrasonically assisted Liquefaction of Lignocellulosic Materials, Bioresource Technology 2012, 103, 360-366 (IF: 4.75). In the ield of polymers and polymeric materials from renewable resources, we utilized high energy ultrasound for the liquefaction of diferent lignocellulosic materials, wood wastes in particular. We developed a highly eicient way of transforming the biomass waste into valuable chemicals. it was found that the reaction yield in all the experiments was high and that the reaction times were shortened by up to nine times when using the ultrasound process with smaller residual particles and with no inluence on

S. Kovačič, F. Preishuber-Plügl, D. Pahovnik, E. Žagar, C. Slugovc, Kovalentna vgradnja površinsko aktivnega sredstva v visokoporozne polimere, sintetizirane z templatiranjem preko emulzij z visokim deležem notranje faze, Chem.Commun. 2015, 51, 7725-7728, IF = 6.718. Na področju materialov s permanentno porozno strukturo smo pokazali, da se sorbitan monooleat (Span 80), ki smo ga uporabili kot površinsko aktivno sredstvo emulzije z visoko vsebnostjo interne faze za RoMp-polimerizacijo oleinskega monomera, kovalentno vgradi v nastalo makroporozno polimerno matrico z odprto celično strukturo. Tako smo dokazali, da lahko z uporabo nenasičenih površinsko aktivnih sredstev kovalentno modiiciramo površino poroznih poli(ciklooktenskih) polimerov in tako spremenimo polarnost površine skeleta.

M. Kunaver, E. Jasiukaityte, N. Čuk, Utekočinjanje lignoceluloznih materialov s pomočjo ultrazvoka, Bioresource Technology, 2012, 103, 360-366 (IF: 4.75). Na področju polimerov in polimernih materialov iz obnovljivih surovin smo pri procesu utekočinjanja raznih lignoceluloznih materialov, tudi odpadkov, uporabili ultrazvok z visoko energijo. Razvili smo izjemno učinkovit način pretvorbe lesne biomase v uporabne surovine. Ugotovili smo, da je izkoristek reakcije v vseh primerih velik in da je bil čas reakcije do devetkrat krajši.

Shematski prikaz modiikacije nanokristalinične celuloze (NCC) za pripravo PMMA/NCC kompozitov. SEM-mikrograija modiicirane NCC in porazdelitev velikosti delcev, določene z DLS, ki kaže izboljšano redisperzibilnost modiicirane NCC v primerjavi z nemodiicirano NCC. Vir: Cellulose, DOI 10.1007/s10570-015-0786-9. Schematic presentation of nanocrystalline cellulose (NCC) modiication for the preparation of PMMA/NCC composites together with SEM micrography of modiied NCC and particle size distribution obtained by DLS in THF, which shows the improved redispersibility of modiied NCC compared to unmodiied NCC. Source: Cellulose, DOI 10.1007/s10570-015-0786-9.


the hydroxyl number of the inal products. The use of the ultrasound process inhibits the formation of large molecular structures from the degradation products during liquefaction by keeping the reactive segments apart. The short reaction time and subsequent low energy consumption for the liquefaction reaction leads to the creation of the new method for the transformation of wood waste materials into valuable chemicals.

T. Kos, A. Anžlovar, D. Pahovnik, E. Žagar, Z. Crnjak Orel, M. Žigon, Zinc Containing block Copolymer as a precursor for the in Situ Formation of nano Zno and pMMa/ZnO Nanocomposites, Macromolecules 2013, 46, 6942-6948, IF = 5.521. In the ield of polymeric nanocomposites, we prepared

Nastali delci so bili manjših dimenzij, uporaba ultrazvoka pa ni vplivala na hidroksilno število končnih produktov. Opisan postopek preprečuje tvorbo večjih molekularnih struktur med procesom utekočinjanja s tem, da preprečuje združevanje večjih reaktivnih segmentov. Krajši reakcijski čas in posledično nizka poraba energije sta osnova za nove metode za pretvorbo lesnih odpadkov v koristne surovine za kemijsko industrijo.

T. Kos, A. Anžlovar, D. Pahovnik, E. Žagar, Z. Crnjak Orel, M. Žigon, Zn-vsebujoč blok kopolimer kot prekurzor za pripravo Zno nanodelcev in PMMA/ZnO nanokompozitov, Macromolecules 2013, 46, 6942-6948, IF = 5.521. Na področju polimernih nanokompozitov smo iz a-b-(ab) diblok kopolimernega prekurzorja

RAZISKOVALCI/RESEARCHERS:dr. Alenka Možirdr. Aljoša Boljedr. Alojz Anžlovardoc. dr. Andrej Kržandr. David pahovnikdr. Marjan Ješelnikprof. dr. Matjaž Kunaver / assoc. prof.prof. dr. Miroslav Huskić / assoc. prof.dr. nataša čuk dr. Sašo čebašek doc. dr. Sebastijan Kovačičdr. Simona Sitar

DOKTORSKI ŠTUDENTI/PhD STUDENTS:Špela Gradišar

STROKOVNI SODELAVCI IN TEHNIČNOOSEBJE/TECHNICAL STAFF:Jasmina turnšekMiran LavričMirjana ŠircaMojca trkajnataša Juvančičpetra Horvatpolona prosenSarah Jurjevec

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highly transparent and Uv-absorbing pMMa/Zno nanocomposites from the a-b-(ab) diblock copolymer precursor, PMMA-b-P(MMA-co-ZnMAAc, synthesized by RAFT polymerization. The pMMa block provided inherent compatibility with the PMMA matrix, whereas the second block with zinc ions acted as a precursor for Zno nanoparticle formation. The amphiphilic block copolymer self-organized in solution, thereby inluencing the nanoparticle formation and shape during the hydrolysis of the precursor block copolymer. Thin ilms of pMMa/Zno nanocomposite exhibited excellent transparency in the visible range and good Uv absorption.

K. Rebolj, D. Pahovnik, E. Žagar, Characterization of a protein Conjugate Using asymmetrical-Flow Field-Flow Fractionation (aF4) and Size-Exclusion Chromatography (SEC) with a Multi-Detection System, Anal. Chem. 2012, 84, 7374-7384, IF = 5.695. In the ield of functional polymers for biomedical applications, we studied the composition and the presence of aggregated species in protein-pEG conjugates using aF4 and SEC separation techniques, both on-line coupled to a series of successively connected detectors: UV-MALS(QELS)-RI. MALDI-TOF mass spectrometry was used as a complementary characterization technique.

(pMMa-b-p(MMa-co- ZnMaac) z RaFT-polimerizacijo pripravili visoko transparentne in UV-absorbirajoče nanokompozite PMMA/ZnO. PMMA-blok je omogočil kompatibilnost s PMMA-matrico, medtem ko je drugi blok s Zn ioni deloval kot prekurzor za nastanek nanodelcev ZnO. Ker se amiilni blok-kopolimer samouredi v raztopini, ta med hidrolizo vpliva na nastanek in obliko nanodelcev. Tanki ilmi nanokompozitov PMMA/ZnO kažejo visoko transparentnost v vidnem območju in dobro absorbirajo Uv-svetlobo.

K. Rebolj, D. Pahovnik, E. Žagar, Opredelitev proteinskega konjugata s pretočnim sistemom z asimetričnim prečnim pretokom (AF4) in velikostno izključitveno kromatograijo (SEC) v kombinaciji z zaporedno vezanimi detektorji: UV-MALS(QELS)-RI, Anal. Chem. 2012, 84, 7374-7384, IF = 5.695. Na področju funkcionalnih polimerov za biomedicinske aplikacije smo z dvema separacijskima tehnikama (aF4 in SEC), sklopljenima z zaporedno vezanimi detektorji UV-MALS(QELS)-R, opredelili kemijsko sestavo in prisotnost agregatov v vzorcih protein-pEG konjugatov. Kot komplementarno tehniko smo uporabili tudi MaLDi-ToF masno spektrometrijo.



1 objavljeni znanstveni prispevek na konferenci (vabljeno predavanje)

published Scientiic Conference Contribution (invited Lecture)

1 objavljeni znanstveni prispevek na konferenci published Scientiic Conference Contribution

1 objavljeni strokovni prispevek na konferenci published professional Conference Contribution

2 objavljena povzetka znanstvenih prispevkov na konferencah (vabljeni predavanji)




2 objavljena povzetka strokovnega prispevka na konferencah

published professional Conference Contribution Abstracts

2 patentni prijavi patent Applications

1 patent patent

2 prispevka na konferencah brez natisa Unpublished Conference Contributions

1 vabljeno predavanje na konferenci brez natisa Unpublished invited Conference Lecture

1 končno poročilo o rezultatih raziskav Final research report

3 diplome Undergraduate theses



Razvoj funkcionaliziranih poroznih

materialov kot adsorbentov in/ali

katalizatorjev za energijske in okoljske

aplikacije

GLavnE DEJavnoSTi LaboRaToRiJa • razvoj funkcionaliziranih zeolitov, poroznih

silikatov in kovinsko-organskih poroznih materialov (MoF-ov) za adsorpcijo in katalizo

• strukturne študije z uporabo osnovnih karakterizacijskih metod (rentgenska difrakcija, sorpcija plinov (N2, CO2, He, H2) in vodne pare) in naprednih karakterizacijskih metod (jedrske magnetne resonance, rentgenske absorpcijske spektroskopije)

• testiranje materialov za aplikacije v okoljskih tehnologijah (katalizatorji pri predelavi biomase v kemikalije in goriva, adsorbenti in katalizatorji pri čiščenju vode in zraka)

• testiranje materialov za aplikacije v energijskih tehnologijah (adsorbenti za shranjevanje toplote in plinov)

• testiranje materialov za sisteme kontroliranega sproščanje zdravil

GLAVNI DOSEŽKI V LETU 2015 Razvili smo novo metodo, s katero smo raziskali prostorsko porazdelitev različnih organskih molekul v ogrodju kovinsko organskega poroznega materiala (ang. MoF-a). Metoda temelji na meritvah hitrosti spinske difuzije z jedrsko magnetno resonanco in na modeliranju različnih porazdelitev molekul. Metoda razloči med primeri, kjer so različne molekule zbrane

The development of functionalized

porous materials as adsorbents and/or

catalysts for energy and environmental applications

TopiC aREaS • the development of functionalized zeolites,

mesoporous silicates and metal-organic framework materials (MoFs) for adsorption and catalysis

• structural studies using basic characterization methods (X-ray difraction (XRD), gas (N2, Co2, He, H2) sorption, water sorption) and advanced characterization methods (nuclear Magnetic Resonance (NMR), X-ray Absorption Spectroscopy (XaS))

• testing materials for applications in environmental technologies (catalysts for the production of chemicals and fuels from biomass, adsorbents and catalysts for water- and air puriication)

• testing materials for applications in energy-related technologies (adsorbents for heat and gas storage)

• testing materials for drug delivery systems

iMpoRTanT aCHiEvEMEnTS in 2015 We developed a new method for investigating the spatial distribution of various organic linkers or functional groups within MoFs. The method is based on NMR measurement of spin-difusion rates and the modelling of distributions of organic linkers within MoFs. it can distinguish between the cases in which diferent linkers form domains and cases in which diferent

l09Laboratory for inorganic Chemistry and Technology

Laboratorij za anorgansko kemijo in

tehnologijo

79

VODJA/HEADprof. dr. nataša Zabukovec Logar

v domenah, in primeri, kjer so molekule razporejene enakomerno po celotnem materialu. primerna je za raziskave raznovrstnih heterogenih ali neurejenih materialov, ne le MOF-ov z več različnimi organskimi molekulami ali funkcionalnimi skupinami. Metoda je bila predstavljena v ugledni reviji angewandte Chemie.

linkers are uniformly distributed throughout the materials. This unique tool can also be employed for studying other heterogeneous or spatially disordered materials. The method was described in the journal angewandte Chemie.

Hitrost prenosa polarizacije med različnimi organskimi molekulami ali funkcionalnimi skupinami na ogrodju po eni strani merimo s serijo dvodimenzionalnih NMR-meritev, po drugi strani pa jo izračunamo za vsak model porazdelitve teh molekul oziroma funkcionalnih skupin v delcu. Primerjava med računi in meritvijo pove, kakšna je dejanska prostorska razporeditev v materialu (oziroma kateri model je pravilen).

The rate of polarization transfer among different organic linkers or functional groups attached to the framework is on the one hand measured by a series of two-dimensional NMR measurements and on the other calculated for different models of linker or functional group apportionment. The comparison between the calculation and the measurement suggests which is the true spatial distribution within the material (i.e. which model is correct).

Razvili smo kovinsko-organski prekurzor MiL-77(ni) za in situ nastajanje nanodelcev Ni z visoko aktivnostjo in učinkovitostjo v hidrodeoksigenaciji lesnega bioolja v polarno

The MoF precursor MiL-77(ni) was developed for the in situ generation of ni nanoparticles with high hydrodeoxygenation activity and eiciency for the conversion of wood-derived


in nepolarno fazo z znatno nižjo viskoznostjo in vsebnostjo kisika. Rezultat raziskave predstavlja za biorainerije glavni korak trajnostnega razvoja katalizatorjev za pretvorbo utekočinjene lesne biomase v goriva in kemikalije in je bil predstavljen v ugledni reviji ChemSusChem.

Razvili smo nov okolju prijazni postopek za proizvodnjo visokokristaliničnih granulatov zeolita ZSM-5 brez inertnega anorganskega veziva. prva stopnja je priprava granul amorfnega aluminosilikata iz poceni industrijskih reaktantov, kot so vodno steklo in natrijev aluminat, brez organskega strukturnega usmerjevalca, iz katerih kasneje nastane kristalinični ZSM-5. Postopek omogoča podvojitev izkoristka sinteze glede na običajne postopke. Delo je bilo objavljeni v reviji Microporosu and Mesoporous Materials.

prof. dr. Gregor Mali je imel tri vabljena predavanja o uporabi jedrske magnetne resonance za študij poroznih materialov na mednarodnih konferencah (MMCE 2015, Krynica, Poljska; Ampere NMR School, Zakopane, Poljska; 24th CMCCE, Zagreb, Hrvaška) in predavanje na SiSSa Trieste.

prof. dr. nataša novak Tušar je imela tri vabljena predavanja o uporabi fotokatalizatorjev za čiščenje zraka na mednarodnih konferencah (PAOT-3, Gdansk, Poljska; AOTs-21, San Diego, California, ZDA; EMN Photocatalysis, Las Vegas, Nevada, ZDA).

oil into the polar and non-polar phase with a signiicantly lower viscosity and oxygen content. This research achievement represents a key step in the design of catalysts for the sustainable conversion of biomass to fuels and chemicals in bioreineries and was described in the journal ChemSusChem.

a new environmental friendly technology was developed for the preparation of highly crystalline binder-free zeolite ZSM-5 granules. it comprises the preparation of amorphous aluminosilicate granules by using inexpensive industrial reactants like sodium water glass and sodium aluminate without the use of organic structure-directing agents. The procedure enabled a more than two-fold increase of the synthesis product yield compared to conventional methods of preparation. The work was described in the journal Microporous and Mesoporous Materials.

prof. dr. Gregor Mali gave three invited lectures on the application of solid-state nuclear nMR in the investigations of porous materials at international conferences (MMCE 2015, Krynica, Poland; Ampere NMR School, Zakopane, Poland; 24th CMCCE, Zagreb, Croatia) and a lecture at SiSSa Trieste.

prof. dr. nataša novak Tušar gave three invited lectures on application of photocatalysts for air cleaning at international conferences (PAOT-3, Gdansk, Poland; AOTs-21, San Diego, California,

Kovinsko-organski prekurzor MIL-77 (Ni) za in situ tvorbo nanodelcev Ni z visoko aktivnostjo in učinkovitostjo v hidrodeoksigenaciji lesnega bioolja v polarno in nepolarno fazo z znatno nižjo viskoznostjo in vsebnostjo kisika.

The metal-organic framework (MOF) precursor MIL-77(Ni) for the in situ generation of Ni nanoparticles proved high hydrodeoxygenation activity and eficiency for the conversion of wood-derived oil into the polar and non-polar phases with a signiicantly lower viscosity and oxygen content.

81

RAZISKOVALCI/RESEARCHERS:dr. Alenka ristićdr. Andraž Šuligoj (od/from 24. 8. 2015)prof. dr. Gregor Mali / assoc. prof.dr. Matjaž Mazajdr. Mojca Rangusprof. dr. nataša novak tušar / assoc. prof.dr. tomaž čendak

DOKTORSKI ŠTUDENTI/PhD STUDENTS:Andraž KrajncDarja MaučecJure Varlecnika Vatič (od/from 1. 10. 2015)tomaž Fakin (do/until 31. 5. 2015)

STROKOVNI SODELAVCI IN TEHNIČNOOSEBJE/TECHNICAL STAFF:edi KranjcMarjana GantarMojca opresnik

ZASLUŽNI RAZISKOVALEC/RESEARCHER EMERITUS:prof. dr. Venčeslav Kaučič

prof. dr. nataša Zabukovec Logar je imela dve vabljeni predavanji o uporabi poroznih materialov za shranjevanje toplote na mednarodnih konferencah (NANOAPP2015, Maribor, Slovenija; 4th LCS Workshop “Zeolites: Prospects & Challenges”, Les Tourelles, Francija).

USA; EMN Photocatalysis, Las Vegas, Nevada, USa).

prof. dr. nataša Zabukovec Logar gave two invited lecture on the use of porous materials in heat storage applications at international conferences (NANOAPP2015, Maribor, Slovenia; 4th LCS Workshop “Zeolites: Prospects & Challenges”, Les Tourelles, France).


5 NAJVEČJIH DOSEŽKOV v ZaDnJiH 5 LETiH 1. Študij kristalizacije in faznih sprememb v zeolitih in MoF-ih z naprednimi in situ in ex situ metodami XAS, XRD in NMR .

2. Razvoj naprednih poroznih materialov za sorpcijsko shranjevanje toplote s poudarkom na nizkotemperaturni sončni toploti in odpadni toploti.

3. Razvoj naprednih katalizatorjev za odstranjevanje organskih onesnažil iz odpadne vode in zraka pri nevtralnem pH in sobni temperaturi.

4. Razvoj komercialnih adsorbentov in katalizatorjev v sodelovanju s slovenskimi podjetji, vključno s postopki za prenos iz laboratorijskega na pilotno in industrijsko raven.

5. Vpeljevanje in razvoj visokoločljive NMR-spektroskopije v trdnem v Sloveniji za študij nanoporoznih matrik, obetavnih novih katalizatorjev in materialov za shranjevanje toplote in plinov ter drugih materialov (fotoelektrokemijske celice, baterije itd.).

Top 5 aCHiEvEMEnTS in THE LAST 5 YEARS 1. Studies of crystallization and phase changes in zeolites and MoF materials with advanced in-situ and ex-situ XAS, XRD and NMR methods.

2. The development of advanced porous materials for sorption-based heat storage with an emphasis on low-T solar heat and waste heat.

3. The development of advanced catalyst for the removal of organic pollutants from wastewater and air at neutral pH and room temperature.

4. The development of commercial porous adsorbents and catalysts in cooperation with Slovenian companies, including upscaling procedures from the laboratory to pilot and industrial scales.

5. The introduction and development of high-resolution solid state nMR in Slovenia for studies of nanoporous matrices, promising new catalysts and adsorbents for gas and heat storage, as well as other materials (photo-electrochemical cells, batteries, etc.).

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5 NAJBOLJŠIH ČLANKOV V ZNANSTVENIH REVIJAH V ZADNJIH 5 LETIH / THE 5 BEST ARTICLES IN SCIENTIFIC PUBLICATIONS IN THE LAST 5 YEARS1. KRAJNC, Andraž, KOS, Tomaž, ZABUKOVEC LOGAR, Nataša, MALI, Gregor. A simple NMR-

based method for studying the spatial distribution of linkers within mixed-linker metal-organic frameworks. Angewandte Chemie, 2015, vol. 54, str. 10535–10538. doi: 10.1002/anie.201504426. [COBISS.SI-ID 5735962]

2. BIRSA ČELIČ, Tadeja, GRILC, Miha, LIKOZAR, Blaž, NOVAK TUŠAR, Nataša. In situ generation of ni nanoparticles from metal-organic framework precursors and their use for biomass hydrodeoxygenation. ChemSusChem, 2015, vol. 8, str. 1703–1710. doi: 10.1002/cssc.201403300. [COBISS.SI-ID 5667866]

3. BIRSA ČELIČ, Tadeja, RANGUS, Mojca, LAZAR, Karoly, KAUČIČ, Venčeslav, ZABUKOVEC LOGAR, nataša. Spectroscopic evidence for the structure directing role of the solvent in the synthesis of two iron carboxylates. Angewandte Chemie, 2012, vol. 51, str. 12490–12494, doi: 10.1002/anie.201204573 [COBISS.SI-ID 36300805]

4. RISTIĆ, Alenka, ZABUKOVEC LOGAR, Nataša, HENNINGER, Stefan K., KAUČIČ, Venčeslav. The performance of small-pore microporous aluminophosphates in low-temperature solar energy storage : the structure-property relationship. Advanced functional materials, 2012, vol. 22, str. 1952–1957. doi:10.1002/adfm.201102734 [COBISS.SI-ID 4910618]

5. NOVAK TUŠAR, Nataša, MAUČEC, Darja, RANGUS, Mojca, ARČON, Iztok, MAZAJ, Matjaž, COTMAN, Magda, PINTAR, Albin, KAUČIČ, Venčeslav. Manganese functionalized silicate nanoparticles as a fenton-type catalyst for water puriication by advanced oxidation processes (AOP). Advanced functional materials, 2012, vol. 22, str. 820–826. doi: 10.1002/adfm.201102361. [COBISS.SI-ID 4863514]



1 znanstvena monograija Scientiic Monograph

2 objavljena znanstvena prispevka na konferencah (vabljeni predavanji)

published Scientiic Conference Contributions (invited Lectures)

4 objavljeni znanstveni prispevki na konferencah published Scientiic Conference Contributions

8 objavljenih povzetkov znanstvenih prispevkov na konferencah (vabljena predavanja)




1 patent patent

1 predavanje na tuji univerzi invited Lecture at Foreign University


2 vabljeni predavanji na konferencah brez natisa Unpublished invited Conference Lectures

1 diploma Undergraduate thesis


2 doktorata Doctoral Dissertations



• Moderni baterijski materiali

• Razvoj premazov

• Elektronska mikroskopija in elektrokatalizatorji

GLavnE DEJavnoSTi LaboRaToRiJa • razvoj na področju shranjevanja električne

energije z razvijanjem novih elektrokemijskih materialov in celic, z vpogledom v elektrokemijo materialov in lastnosti elektrokemijskih celic

• raziskave, osredotočene na sekundarne baterijske sisteme, kot so akumulatorji Li-ion, Li-S, Mg in drugi napredni sistemi

• razvoj komponent za energetske sisteme, ki izkoriščajo obnovljive vire energije

• razvoj metod za oceno življenjske dobe materialov uporabljenih v koncentratorskih sončnih elektrarnah

• razvoj barvnih prevlek za nizkotemperaturne absorberje (kovinske in polimerne) sončnega sevanja ter prevlek za koncentratorske absorberje, vključene v solarne elektrarne

• razvoj komponent fotoelektrokemičnih celic ter elektrokromnih pametnih oken, predvsem tankih plasti in elektrolitov

• razvoj hidrofobnih, oleofobnih in ognjevarnih aditivov

• sinteza novih elektrokatalizatorjev za potencialno uporabo v nizkotemperaturnih gorivnih celicah

• eksperimentalne in teoretične študije degradacije elektrokatalizatorjev in kompozitnih elektrod, ki se uporabljajo v nizkotemperaturnih gorivnih celicah

• razvoj in situ in ex situ analiznih in

• Modern battery systems• Coating development

• Electron microscopy and electrocatalysts

TopiC aREaS • the advancement of electrochemical energy

storage by developing novel electrochemical materials and cells, providing insight into electrochemical material and cell properties

• applied research focused on modern devices like secondary batteries – speciically Li-ion, post Li-ion, Mg batteries and some other advanced storage systems

• the development of components used for systems based on renewable energy sources

• The development of methods for the life time assessment of materials used for concentrated power plants

• the development of coloured coatings for low temperature solar absorbers (metallic and polymeric), as well coatings for concentrated solar power plants

• research in the ield of components for photo electrochemical cells and electrochromic smart windows, as well as corresponding electrodes, thin ilms and electrolytes

• the development of hydrophobic, oleophobic and lame retardants additives

• synthesis of novel electrocatalysts for low-temperature fuel cells

• experimental studies and modelling of the degradation of electrocatalysts and composite electrodces used in low-temperature fuel cells

• the development of in situ and ex situ analytical and experimental approaches used for investigating the structural (Raman and

l10Laboratory for Materials Chemistry

Laboratorij za kemijo materialov

85

VODJA/HEADprof. dr. Miran Gaberšček

eksperimentalnih pristopov za študij strukture (ramanska spektroskopija, IR-spektroskopija), površine (AFM, SEM, EDS, NGIA IR spektroskopija) in reologije kompleksnih materialov

GLAVNI DOSEŽKI V LETU 2015 v sodelovanju s College de France smo izvedli vizualizacijo O-O dimerov, ki so značilni za nekatere plastovite okside. Raziskava je ovrgla dosedanje prepričanje, da je energijska gostota baterijskih materiov intrinzično omejena s številom elektronov, ki jih je mogoče reverzibilno vključiti v elektrokemijsko reakcijo. Z uporabo različnih tehnik smo pokazali, da lahko v določenih primerih v elektrokemijsko reakcijo reverzibilno vstopa tudi kisikova podmreža v kristalni strukturi. S tem se znatno poveča celotna reverzibilno shranjena energija. osnova za razumevanje tega novega pojava so bile raziskave, opravljene z nevtronsko in transmisijsko spektroskopijo ter podkrepljene s teoretičnimi izračuni. Članek je bil objavljen v reviji Science.

V sodelovanja s kolegi iz Francije, Švice, Belgije in indije smo opravil kompleksno študijo na novem katodnem materialu za prihodnjo generacijo litij-ionskih akumulatorjev. Delo, ki je bilo objavljeno v reviji JACS, povzema poglavitne zaključke kompleksnega elektrokemijskega delovanja materiala Li4FeSbO6. Z uporabo različnih metod smo pokazali, da je reakcijski mehanizem povezan s spremembo oksidacijskega stanja železa, ki doseže neobičajno stanje +4. Poleg železa

Infrared spectroscopy), surface (AFM, SEM, EDS, NGIA IR spectroscopy) and rheological properties of complex materials

iMpoRTanT aCHiEvEMEnTS in 2015 In cooperation with College de France, we presented a visualisation of o-o peroxo-like dimers in high-capacity layered oxides for Li-ion batteries. The research disproved the belief that the energy density of battery materials is intrinsically limited by the number of electrons that can reversibly be incorporated into the electrochemical reaction. Using diferent characterisation techniques, we proved that in some cases the oxygen sublattice in crystal structures could reversibly enter the electrochemical reaction. This considerably increases the total speciic capacity and reversibly stored energy. The basis for understanding this new phenomenon was research carried out by neutron and transmission spectroscopy supported by theoretical calculations. The results were published in Science.

In collaboration with colleagues from France, Switzerland, Belgium and India, we carried out a complex study on a new cathode material for the next generation Li-ion batteries. The work, which was published in JACS, describes the complex electrochemical behaviour of Li4FeSbO6 material. Using diferent characterization techniques, we showed that the reaction mechanism connected with the change of redox state of iron and oxygen


v elektrokemijsko reakcijo vstopa kisik iz strukture.

v sodelovanju z izraelskim podjetjem brightsource smo razvili metode in modele za oceno življenjske dobe visoko absorptivnih premazov za koncentratorske sončne elektrarne. Izdelani model omogoča izenačitev obremenitev v laboratoriju z obremenitvami v realni koncentratorski sončni elektrarni, kar omogoča oceno življenjske dobe absorberskega premaza. Raziskovalne rezultate bodo partnerji uporabili pri izvedbi projekta ashalim. Ta med drugim predvideva gradnjo 121 MW sončno-termične koncentratorske elektrarne Ashalim v izraelski puščavi Negev.

v sodelovanju s švicarskim podjetjem alstom power in Laboratorijem za strukturo biomolekul smo študirali razpad talin soli, ki bodo uporabljene za shranjevanje energije, prav tako na koncentratorskih sončnih elektrarnah.

release depends on the voltage of the battery.

in cooperation with the israeli Company Brightsource, we have developed methods and models for the life time assessment of high solar absorptivity coatings used for concentrated power plants. This prediction model enables the equalisation of the laboratory loads with the thermal loads on the power plant and resulted in absorber coating life time assessment. The research results will be taken into account for the realization of the Ashalim project, a 121 MW Ashalim Solar Thermal power Station under construction in israel’s negev desert.

in cooperation with the Swiss Company alstom power and the Laboratory of biomolecular Structure, we studied the degradation of molten salts used as storage materials for concentrated solar power plants.

Odkritje, objavljeno v reviji Science.Levo: struktura materiala Li-Ir-O, pridobljena z nevtronsko praškovno difrakcijo (kisiki so rdeče barve). Desno zgoraj: povečana slika, pridobljena s tehniko ABF-STEM (annular-bright-ield scanning transmission electron microscopy). Desno spodaj: ABF-intenzitetni proili vzdolž O-O parov z dolgimi (modra krivulja) in kratkimi (rdeča krivulja) projiciranimi razdaljami.

Discovery, published in Science.Left: Structure of the charged Li-Ir-O material, as obtained from neutron powder diffraction (oxygen atoms are red). Right-top: Enlarged ABF-STEM image (annular-bright-ield scanning transmission electron microscopy). Right bottom: ABF intensity proiles along the O-O pairs with long (blue) and short (red) projected distances.

87

RAZISKOVALCI/RESEARCHERS:dr. Angelja Kjara Surcadr. elena Chernyshovadr. Francisco Ruiz Zepedadr. Goran Dražićdoc. dr. ivan Jerman / assist. prof.dr. Jože Moškondr. Klemen pirnatdr. lidija Slemenik peršedr. Manca logardr. Marjan Beleprof. dr. Marta Klanjšek Gunde / assoc. prof.dr. Matjaž Koželjdoc. dr. Robert Dominko / assist. prof.dr. tina ukmar Godecdr. Zorica Crnjak orel

DOKTORSKI ŠTUDENTI/PhD STUDENTS:Ahmed AbdelAal KretaAlen VižintinAna RobbaFlorian Alexander StraussGregor KrižanJan BitencJernej BobnarMaja pivkoMaja pori

Marjeta čepinMaša HorvatMatija GataloMilena ZorkoMirjana RodošekMohor Mihelčičnejc pavlinprimož JovanovićSara Drvarič talianŠpela Hajduktanja Bančičtina Zabukovec Jezovšekurša petekVida lapornik

STROKOVNI SODELAVCI IN TEHNIČNOOSEBJE/TECHNICAL STAFF:ervin ŠestGregor KapunHelena Spreizerivana MaverJerneja pirnatKsenija napast

ZASLUŽNI RAZISKOVALEC/RESEARCHER EMERITUS:prof. dr. Boris orel


5 NAJVEČJIH DOSEŽKOV v ZaDnJiH 5 LETiH 1. od leta 2011 so sodelavci laboratorija objavili več kot 300 člankov, številne od njih v prestižnih oziroma vodilnih revijah s področja delovanja laboratorija: Science, Journal of the American Chemical Society, Angewandte Chemie, Physical Review Letters, Chemistry of Materials, ACS Catalysis ipd.

2. Članki sodelavcev laboratorija so visoko citirani: članki, objavljeni od leta 2011, so bili citirani že več kot 2300-krat, skupno število citatov člankov sodelavcev laboratorija znaša okoli 16000, h-indeks pa 60.

3. Koordinacija dveh evropskih projektov na temo litij-žveplovih akumulatorjev v iniciativi FP7 (EURoLiS) in H2020 (HELiS).

4. Sodelovanje z avtomobilsko industrijo na področju elektromobilnosti z neposredno pogodbo (Honda) ali v sklopu evropskih projektov (Renault, Volvo, PSA).

5. Sodelovanje z vodilnimi industrijskimi partnerji (Brightsource, Alstom Power) na področju koncentratorskih sončnih elektrarn.

Top 5 aCHiEvEMEnTS in THE LAST 5 YEARS Since 2011 the co-workers of the laboratory have published more than 300 papers, many of them in prestigious or leading journals in their respective ields: Science, Journal of the American Chemical Society, Angewandte Chemie, Physical Review Letters, Chemistry of Materials, ACS Catalysis ipd.

papers published by laboratory have achieved a high number of citations: papers published since 2011 have been cited more than 2300 times, the total number of papers authored by laboratory staf is more than 16000, the laboratory’s h-index is 60.

Coordination of two EU projects in the ield of lithium-sulphur batteries in the frameworks of Fp7 (EURoLiS) in H2020 (HELiS).

Cooperation with the automotive industry in the ield of battery research for electric vehicles: a direct contract with HonDa and cooperation with Renault, VOLVO and PSA within research projects.

Cooperation with worldwide leading companies (Brightsource, Alstom Power) in the ield of concentrated solar cell power plants.

Neposredni projekt s Hondo na temo magnezijevih baterij: v reviji ChemSusChem je bil objavljen prvi članek v okviru tega sodelovanja.

Direct contract with Honda in the ield of magnesium batteries: the irst joint paper was published in ChemSusChem.

89

5 NAJBOLJŠIH ČLANKOV V ZNANSTVENIH REVIJAH V ZADNJIH 5 LETIH / THE 5 BEST ARTICLES IN SCIENTIFIC PUBLICATIONS IN THE LAST 5 YEARS1. MCCALLA, Eric, ABAKUMOV, Artem M., SAUBANÈRE, Matthieu, FOIX, Dominique, BERG, Erik J.,

ROUSSE, Gwenaelle, DOUBLET, Marie-Liesse, GONBEAU, Danielle, NOVÁK, Petr, VAN TENDELOO, Gustaaf, DOMINKO, Robert, TARASCON, Jean-Marie. Visualization of O-O peroxo-like dimers in high-capacity layered oxides for Li-ion batteries. Science, ISSN 0036-8075, Dec. 2015, vol. 350, no. 6267, str. 1516–1521. https://www.sciencemag.org/content/350/6267/1516.full, doi: 10.1126/science.aac8260. [COBISS.SI-ID 5828378]

2. GODEC, Aljaž, MERZEL, Franci. Physical origin underlying the entropy loss upon hydrophobic hydration. J. Am. Chem. Soc., 2012, vol. 134, issue 42, str. 17574–17581. http://pubs.acs.org/doi/full/10.1021/ja306464u, doi: 10.1021/ja306464u. [COBISS.SI-5094426]

3. PIVKO, Maja, BELE, Marjan, TCHERNYCHOVA,Elena, ZABUKOVEC LOGAR, Nataša, DOMINKO,Robert, GABERŠČEK, Miran. Synthesis of nanometric LiMnPO4 via a two-step technique. Chem. Mater., 2012, vol. 24, issue 6, str. 1041–1047. [COBISS.SI-ID 4931610]

4. SIRISOPANAPORN, Chutchamon, MASQUELIER, Christian, BRUCE, Peter G., ARMSTRONG, A. Robert, DOMINKO, Robert. Dependence of Li2FeSiO4 electrochemistry on structure. Journal of the American Chemical Society, ISSN 0002-7863, 2011, vol. 133, no. 5, str. 1263–1265, doi: 10.1021/ja109695r. [COBISS.SI-ID 4600090]

5. GODEC, Aljaž, SMITH, Jeremy C., MERZEL, Franci. Increase of both order and disorder in the irst hydration shell with increasing solute polarity. Physical review letters, 2011, vol. 107, iss. 26, str. 267801-1 - 267801-5. http://prl.aps.org/abstract/PRL/v107/i26/e267801. [COBISS.SI-ID 4872474]

Zgoraj: vizualizacija platinske ovojnice na površini katalizatorskega nanodelca Cu3Pt. Spodaj: tvorba tako imenovanih dvojčkov v sredici katalizatorskega nanodelca Cu3Pt.

Top: Visualization of the platinum skin on the surface of Cu3Pt catalyst nanoparticles.Bottom: Appearance of twins within Cu3Pt catalyst nanoparticle.





2 samostojna znanstvena sestavka ali poglavji v monografskih publikacijah

independent Scientiic Component parts or Chapters in Monographs

2 intervjuja interviews



1 objavljeni strokovni prispevek na konferenci (vabljeno predavanje)

published professional Conference Contribution (invited Lecture)






4 patenti patents

2 predavanji na tujih univerzah invited Lectures at Foreign Universities

3 prispevki na konferencah brez natisa Unpublished Conference Contributions

6 vabljenih predavanj na konferencah brez natisa Unpublished invited Conference Lectures

10 končnih poročil o rezultatih raziskav Final research reports




7 doktoratov Doctoral Dissertations

2 uredništvi revij Journal editorships

91

Nano- strukture na površini cvetnega prahu Lilije Nanostructures on top of a pollen dust


Raziskave bioloških procesov na osnovi

preučevanja proteinov – njihove zgradbe, interakcij z drugimi molekulami, mehanizma delovanja in biološke

funkcije

GLavnE DEJavnoSTi LaboRaToRiJa • raziskave zgradbe in mehanizma delovanja

proteinov, ki sodelujejo v patogenezi intraceličnih bakterij

• molekulski mehanizmi poškodbe lipidnih membran, ki jih povzročijo proteini, s poudarkom na proteinih naddružine MACPF/CDC ter družin aerolizinov in aktinoporinov

• razvoj nanopor in dostavnih sistemov na osnovi nanopor za nanobiotehnološke aplikacije

• razvojno sodelovanje z industrijskimi partnerji: proteinska analitika, novi dostavni sistemi in celični modeli in vitro

GLAVNI DOSEŽKI V LETU 2015 Preučevali smo mehanizme delovanja proteinov in njihove interakcije v bioloških procesih, povezanih s patološkimi stanji, predvsem tam, kjer prihaja do poškodb celičnih membran.

opisali smo pomen unikatnega histidina v zaporedju proteina listeriolizina o (LLo) iz patogene bakterije Listeria monocytogenes, ki tvori pore v gostiteljivih membranah, njegov vpliv na stabilnost monomerne oblike LLO, hitrost nastanka oligomernih por ter njihovo pH odvisno prevodnost. prvi smo pokazali izredno

Research on biological processes with

a focus on proteins: their structure, interactions with other molecules, mechanism of action and biological

function.

TopiC aREaS • the structure and function of proteins

involved in the pathogenesis of intracellular bacteria

• molecular mechanisms of lipid membrane damage induced by pore forming proteins from the MACPF/CDC superfamily, as well as the actinoporin and aerolysin families

• the development of nanopores and delivery systems based on nanopores for nanobiotechnological applications

• developmental partnership with industry: protein analytics, new delivery systems and in

vitro cell models

iMpoRTanT aCHiEvEMEnTS in 2015 Studies on the mechanism of action and intermolecular interactions of the proteins involved in biological processes associated with pathological states, in particular those involving damage of cellular membranes.

We described the roles of the unique histidine in the structure of the membrane pore forming protein listeriolysin o (LLo) from the pathogenic bacterium Listeria monocytogenes, its impact on the stability of the monomeric LLO, kinetics of the oligomeric pore formation and the pH dependent conductivity of pores. We showed

l11Laboratory for Molecular biology and nanobiotechnology

Laboratorij za molekularno biologijo in nanobiotehnologijo

93

VODJA/HEADprof. dr Gregor Anderluh, do/until 16. 11. 2015

doc. dr. Marjetka Podobnik / assist. prof., v. d., od/from 16. 11. 2015

leksibilnost in plastičnost por LLO, na katero vplivajo dejavniki, kot sta pH in lipidna sestava membran.

opisali smo evolucijsko ohranjenost tridimenzionalnega zvitja metalofosfoesteraz. Majhne strukturne razlike znotraj te družine privedejo do vrste raznolikih encimskih funkcij in substratnih speciičnosti. Mutacije v aktivnem mestu lahko povzročijo tudi popolno ukinitev encimske aktivnosti, tak protein pa z ohranjenim tipičnim zvitjem lahko nastopi vlogo strukturnega proteina pri tvorbi proteinskih kompleksov v celici.

Razvili smo metodo za izražanje in čiščenje mišjega perforina iz insektnih celic.

v sodelovanju z industrijskimi partnerji smo razvijali nove aplikacije v farmaciji in nanobiotehnologiji, s poudarkom na razvoju bioloških zdravil in nanopor za določanje zaporedij nukleinskih kislin. Razvijamo kompleksne proteinske strukture na osnovi samourejanja virusnih kapsidnih proteinov, z namenom biotehnološke in raziskovalne uporabe.

Sledili smo ekstracelularnim veziklom v bioreaktorju, kjer koncentracija teh v bioprocesu narašča in je posledica umiranja celic in njihove aktivacije. Koncentracija teh veziklov odraža razmere v bioreaktorju in s tem da informacijo o stanju celic v teku bioprocesa.

Razvoj naprednih dostavnih sistemov je privedel do dveh patentnih prijav s področja peroralne dostave proteinskih terapevtikov.

V eni najbolj uglednih revij s področja kemije smo objavili pregledni članek How Lipid Membranes Afect Pore Forming Toxin Activity,

the high lexibility and plasticity of LLO pores, regulated by environmental cues like pH and membrane composition.

We described the evolutionary conservation of the three-dimensional fold of metallophosphoesterases. Small diferences within this family lead to various enzymatic functions and substrates speciicities. Speciic mutations in the active site can completely shut down the enzymatic activity, resulting in new roles of the conserved fold, such as a scafolding protein in various cellular protein complexes.

The development of a protocol for the expression and puriication of a murine perforin in insect cells.

In collaboration with industrial partners, we developed novel applications in pharmacy and nanobiotechnology, particularly in the development of second generation biological drugs, as well as nanopores for nucleic acid sequencing. We developed complex protein structures based on the self-assembly of viral capsid proteins, for research as well as biotechnological purposes.

We studied extracellular vesicles in bioreactors: their concentration increases during the bioprocess due to cell death and activation. The concentration of vesicles relects the conditions in the bioreactor and consequently provides information about the status of cells during the bioprocess.

Work on the development of advanced delivery systems led to two patent applications in the ield of the peroral delivery of protein therapeutics.

a review article was published in one of


Strukturne in funkcijske raziskave cAMP-vezavnih proteinov: (A) kristalna struktura Rv0805 metalofosfodiesteraze iz Mycobacterium tuberculosis, monomerna oblika (modra: ohranjena metalofosfoesterazna N-terminalna domena, oranžna: dodatna C-terminalna domena, rumeno: aktivno mesto), PDB-ID 3IB7. (B) Biološko aktivna homodimerna oblika Rv0805 (protomer 1:modra in oranžna; protomer 2: siva in svetlo oranžna). (C) kristalna struktura podganje metalofosfodiesteraze MPPED2, aktivne v monomerni obliki (modra: C-terminalna metalofosfoesterazna domena, zelena: N-terminalna dodatna domena, rumena: aktivno mesto). PDB-ID: 3RL3. Matange et al., 2015, Biochem J, 467, 201-216) (D) Kristalna struktura lizin aciltrasferaze iz Mycobacterium smegmatis, PDB-ID: 4OLL (rdeče: N-terminalna vezavna domena za ciklični nukleotid, modra: povezovalni peptid, zelena: aciltransferazna domena, oranžno: C-terminalna vijačnica). Podobnik et al., 2014, J Biol Chem, 289, 16588-16600.

Structural and functional studies of cAMP binding proteins: (A) crystal structure of Rv0805 metallophosphodiesterase from Mycobacterium tuberculosis, monomeric form (blue: conserved metallophosphoesterase or N-terminal domain, orange: additional C-terminal domain, yellow: the active site). PDB-ID 3IB7. (B) The biologically active homodimeric form of Rv0805 (protomer 1: blue and orange; protomer 2: grey in and light orange). (C) crystal structure of a rat metallophosphodiesterase MPPED2, active in the monomeric form (blue: C-terminal metallophosphodiesterase domain, green: additional N-terminal domain, yellow: the active site). PDB-ID: 3RL3. Matange et al., 2015, Biochem J, 467, 201-216. (D) Crystal structure of the A acyltransferase from Mycobacterium smegmatis, PDB-ID: 4OLL (red: N-terminal cyclic nucleotide binding domain, blue: linker peptide, green: acyltransferase domain, orange: C-terminal helix). Podobnik et al., 2014, J Biol Chem, 289, 16588-16600.

v katerem opisujemo trenutno razumevanje poškodb lipidnih membran, ki jih povzročajo proteini.

the most prominent journals in chemistry, entitled “How Lipid Membranes Afect Pore Forming Toxin Activity”, describing current understanding of lipid membrane damage performed by proteins.

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RAZISKOVALCI/RESEARCHERS:dr. Ajda Flaškerdr. Apolonija Bedina Zavecdr. Gorazd Hribardoc. dr. Marjetka podobnik / assist. prof.(v.d. vodje/head od/from 16. 11. 2015)dr. nada Kraševecdr. nejc Rojkodr. Simon Caserman

DOKTORSKI ŠTUDENTI/PhD STUDENTS:Aleksandra ŠakanovićAndreja ŠinkMatic KisovecMirijam Kozorogneja Zupanecneža omersaomar nanehSaša Rezeljtea Lenarčič

STROKOVNI SODELAVCI IN TEHNIČNOOSEBJE/TECHNICAL STAFF:Jelka LenarčičMaja CapuderMaja DebeljakMaja Jamniktatjana Milunović tea tomšičUrška Dečko


5 NAJVEČJIH DOSEŽKOV v ZaDnJiH 5 LETiH Strukturne lastnosti lipidnih membran lahko odločilno vplivajo na delovanje in lastnosti membranskih proteinov. opisali smo vpliv lipidnih membran na tvorbo in lastnosti por nekaterih proteinov, ki tvorijo pore in imajo ključno vlogo v imunskem sistemu ali bakterijski patogenezi. odkritja smo objavili v osmih primarnih znanstvenih publikacijah in dveh preglednih člankih v najuglednejših revijah s področja biokemije in kemije.

Strukturna biologija mikobakterijskih caMp-vezavnih proteinov ter njihovih sesalskih homologov, divjih oblik ter njihovih mutantov v odsotnosti ali prisotnosti nukletidov. Uspelo nam je osvetliti odnos zgradba-delovanje za pomembno skupino mikobakterijskih proteinov. objavljeno v treh primarnih in enem preglednem članku v uglednih mednarodnih znanstvenih revijah.

novembra 2014 je mešana raziskovalna skupina Laboratorija za molekularno biologijo in nanobiotehnologijo Kemijskega inštituta in Leka prejela puhovo priznanje za razvoj podobnih bioloških zdravil ilgrastim in pegilgrastim ter prenos v proizvodnjo. Skupino sestavljajo: dr. Vladka Gaberc Porekar, mag. Tatjana Milunović, Ana Jesenko, dr. Simona Jevševar, dr. Maja Kenig, Sašo Tomše in Nebojša

Top 5 aCHiEvEMEnTS in THE LAST 5 YEARS Structural features of lipid membranes can have a profound impact on the function and properties of membrane proteins. We described this inluence on pore formation and pore properties for several pore forming proteins that play key roles in the immune system or bacterial pathogenesis. Our indings were published in 8 primary scientiic publications and 2 review articles in the top ranking journals in the ield of biochemistry and chemistry.

The structural biology of mycobacterial caMp binding proteins and their mammalian homologs, of wild types or mutant forms, and in the presence or absence of nucleotides. We shed light on the structure-function relationship for this important group of mycobacterial proteins. published in 3 primary articles and 1 review article in established international scientiic journals.

In November 2014, a mixed group of researchers from the Laboratory for molecular biology and nanobiotechnology from our institute and Lek d.d. won the puh award for the development of the biosimilar drugs ilgrastim and pegilgrastim, and its transfer into mass production. The group: Dr. Vladka Gaberc Porekar, Tatjana Milunović (MSc.), Ana Jesenko, Dr. Simona Jevševar, Dr. Maja Kenig,

Pore mišjega perfroina na liposomih s sestavo DOPC:cholesterol (4:1 mol:mol), posneto s krioelektronsko mikroskopijo. Prikazani so štirje povprečeni razredi por na liposomih. Povpečja so pokazana na levi strain slike v vsakem primeru, štirje primeri prvotnih slik pa na desni. Število slik v vsakem razredu je napisano na levem delu slike; merilo = 20 nm. (Naneh et al., 2015, J Immunological Methods 426, 19–28).

Pores of murine perforin formed on DOPC:cholesterol (4:1 mol:mol) liposomes visualized by cryoelectron microscopy. Four class averages of pores on the liposomes, with class averages are shown in the left hand image in each case and four examples of raw images to the right. The number of images contributing to each class is given in the left hand images; bar = 20 nm. (Naneh et al., 2015, J Immunological Methods 426, 19-28).

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Vgrajevanje v membrane in lastnosti por proteinov iz MACPF/CDC naddružine je odvisno od lipidne sestave membran. Prikazani so grai prevodnosti električnega toka skozi pore z metodo planarnih lipidnih membran (levo). Predlagane oblike por so prikazane na desni. Pore so manjše in imajo večji šum v primeru bolj luidnih lipidnih membran, medtem ko so lepo ločene pore z višjo prevodnostjo opažene na manj luidnih membranah (Rojko & Anderluh, 2015, Accounts of Chem Res 48, 3073–3079).

Insertion in the membrane and pore properties of MACPF/CDC proteins depends on the membrane lipid composition. Different current traces from a planar lipid membrane experiment are presented, together with the suggested shape of the pore. Pores are more noisy and smaller in more luid lipid membranes, while nicely resolved pores with large conductance were visible in less luid membranes.

Furlan. Marca 2015 je FDa (ang. Food and Drug administration) odobrila uporabo biološkega zdravila ilgrastim.

Smo soavtorji pri dveh svetovnih patentnih prijavah s področja razvoja naprednih dostavnih sistemov, COBISS.SI-ID 5693978 in COBISS.SI-ID 31900121.

prof. dr. Gregor anderluh je prejemnik dveh domačih nagrad, Zeijeve nagrade (2010) in Preglove nagrade (2013) za izjemne dosežke na področju osnovnih ali uporabnih raziskav s področja kemije in sorodnih ved.

Sašo Tomše and Nebojša Furlan. In March 2015, the FDa approved the use of the biological drug ilgrastim.

We are coauthors in 2 world patent applications in the ield of the development of advanced delivery systems, COBISS.SI-ID 5693978 and CobiSS.Si-iD 31900121.

prof. Dr. Gregor anderluh won two national awards: Zei (2010) and Pregl (2013) for his exceptional contribution in the ield of basic and applied research in chemistry and related sciences.


5 NAJBOLJŠIH ČLANKOV V ZNANSTVENIH REVIJAH V ZADNJIH 5 LETIH / THE 5 BEST ARTICLES IN SCIENTIFIC PUBLICATIONS IN THE LAST 5 YEARS1. PRAPER, Tilen, KLADNIK, Aleš, ANDERLUH, Gregor, et al. Perforin activity at membranes leads

to invaginations and vesicle formation. proceedings of the national academy of Sciences of the United States of America, ISSN 0027-8424, 2011, vol. 108, no. 52, str. 21016-21021. doi: 10.1073/pnas.1107473108. [COBISS.SI-ID 2493519]

2. PODOBNIK, Marjetka, SIDDIQUI, Nida, REBOLJ, Katja, NAMBI, Subhalaxmi, MERZEL, Franci, VISWESWARIAH, Sandhya S. Allostery and conformational dynamics in cAMP-binding acyltransferases. The Journal of biological chemistry, ISSN 0021-9258, Jun. 2014, vol. 289, iss. 23, str. 16588–16600. doi: 10.1074/jbc.M114.560086. [COBISS.SI-ID 5463578]

3. GILBERT, Robert J., DALLA SERRA, Mauro, FROELICH, Christopher J., WALLACE, Mark I., ANDERLUH, Gregor. Membrane pore formation at protein-lipid interfaces. TiBS, ISSN 0968-0004. [Regular ed.], Nov. 2014, vol. 39, issue 11, str. 510–516, ilustr., doi: 10.1016/j.tibs.2014.09.002. [COBISS.SI-ID 5633562]

4. PODOBNIK, Marjetka, MARCHIORETTO, Marta, ZANETTI, Manuela, BAVDEK, Andrej, KISOVEC, Matic, CAJNKO, Miša Mojca, LUNELLI, Lorenzo, DALLA SERRA, Mauro, ANDERLUH, Gregor. Plasticity of lysteriolysin O pores and its regulation by pH and unique histidine. Scientiic reports, ISSN 2045-2322, Apr. 2015, vol. 5, str. 1–10,. doi: 10.1038/srep09623. [COBISS.SI-ID 5679642]

5. ROJKO, Nejc, ANDERLUH, Gregor. How lipid membranes afect pore forming toxin activity. Accounts of chemical research, ISSN 0001-4842. [Print ed.], Dec. 2015, vol. 48, iss. 12, str. 3073-3079. http://pubs.acs.org/doi/pdf/10.1021/acs.accounts.5b00403, doi: 10.1021/acs.accounts.5b00403. [COBISS.SI-ID 5833754]



4 pregledni znanstveni članki review Articles

2 intervjuja interviews

1 drugo učno gradivo other educational Material




1 patent patent


2 vabljeni predavanji na konferencah brez natisa Unpublished invited Conference Lecture

6 diplom Undergraduate theses




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Raziskave molekulskih mehanizmov

naravnih procesov in načrtovanje novih lastnosti na osnovi naravnih sestavin

GLavnE DEJavnoSTi LaboRaToRiJa • molekulski mehanizem prepoznavanja in

aktivacije naravnega imunskega sistema

• sintezna biologija• regulatorne celične strukture in vezja • dizajniranje in priprava bionano struktur

Discovering how nature operates at the molecular level and how we can make it

operate differently

TopiC aREaS • the molecular mechanism of the recognition

and activation of the innate immune system

• synthetic biology• Regulatory cell structures and circuits• Designing and preparing bionanostructures

l12Laboratory of biotechnology

Laboratorij za biotehnologijo

Molekularni model sidranja oksidiranih fosfolipidov v TLR4-MD2 kompleks pojasni podoben mehanizem aktivacije TLR4 pri sterilnem vnetju ter bakterijski infekciji. (A in B) Oksidiran fosfolipid 15-HETE-PE (A, sivo, modro) ali lipid A (B, rdeče) se prilega v molekulo MD-2 (rumena). Hidroksilirana sn-2 veriga sega iz MD-2 žepa in omogoča vezavo na hidrofobno površino TLR4 ektodomene (zeleno) z interakcijo med MD-2 in TLR4, ki je podobna aktivaciji z lipidom A in vodi v dimerizacijo TLR4 (B, C). Vir: Manček-Keber in sod., Science Signaling 2015

Molecular models of the docking partially oxidized phospholipids to the TLR4–MD-2 complex explains the similarity between TLR4 activation caused by sterile inlammation and bacterial infection. (A and B) Oxidized phospholipid (grey, blue) docks into the MD-2 (yellow) structure where the hydroxylated sn-2 chain protrudes from the MD-2 binding pocket and interacts with the TLR4 ectodomain (A and B, green) (residues Phe440 and Phe463, cyan), similar as the bacterial lipid A (B, red). (C) Modelling suggests that formation of a complex between hydroxylated phospholipid, MD-2, and TLR4 causes dimerization of the TLR4 ectodomain and receptor activation by the same type of interactions and geometry as activation of TLR4/MD-2 by lipid A. Manček-Keber et al. 2015 Science Signaling.

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VODJA/HEADprof. dr. Roman Jerala

GLAVNI DOSEŽKI V LETU 2015 Tollu podobni receptorji (TLR) pomenijo eno ključnih sestavin naravne imunosti in omogočajo prepoznavanje molekulskih vzorcev značilnih za patogene. Posebej zanimiva je vloga TLR4 pri sterilnem vnetju, kjer ne gre za okužbo z Gram negativnimi bakterijami, kot so ateroskleroza, artritis in druge vnetne bolezni. V letu 2015 smo v reviji Science signaling objavili rezultate raziskave, v kateri smo pokazali, da TLR4 aktivirajo delno oksidirani fosfolipidi prek vezave na MD-2 ter interakcije s TLR4 na zelo podoben način kot LPS. Oksidirani fosfolipidi se vežejo na MD-2 ter z delno (per)oksidirano verigo vzpostavijo stik s TLR4 ter sprožijo aktivacijo z dimerizacijo TLR4. Ugotovili smo, da mikrovezikli iz seruma bolnikov z revmatoidnim artritisom aktivirajo TLR4/MD-2 v nasprotju z mikrovezikli zdravih. neaktivne vezikle smo pretvorili v aktivirajoče s pomočjo oksidacije. odkritje TLR4 kot senzorja oksidativnega stresa razloži vlogo TLR4 pri številnih boleznih, ker je oksidativni stres značilnost vnetja.

Med drugimi dosežki leta 2015 lahko omenimo članke o identiikaciji minimalnih motivov oligonukleotidov za aktivacijo človeškega in mišjega TLR9, kar je pomembno tako za razumevanje vloge enoverižne DNK pri avtoimunosti ter za načrtovanje DNK kot adjuvansov za cepiva (Pohar in sod., J. immunol.).

Na področju sintezne biologije smo odkrili nov način uravnavanja aktivacije genov prek dizajniranih TALE-proteinov, kjer smo izkoristili dejstvo, da se proteinska veriga topološko ovije okrog DnK. Torej lahko s ciklizacijo zaklenemo

iMpoRTanT aCHiEvEMEnTS in 2015Toll-like receptors (TLRs) are the key component of the innate immune response, enabling the identiication of molecular patterns characteristic of pathogens. particularly intriguing is the role of TLR4 in a sterile inlammation, not an infection with Gram-negative bacteria, such as atherosclerosis, arthritis and other inlammatory diseases. In 2015, we published in Science signalling the results of a study where we demonstrated that TLR4 is activated by oxidized phospholipids by binding to MD-2 in a very similar way to the bacterial LpS. oxidized phospholipids bind to MD-2 and the partial (per) oxidized acyl chain establishes the contact with TLR4 and induces activation by TLR4 dimerization. We found that microvesicles from the sera of patients with rheumatoid arthritis activate TLR4 / MD-2 in contrast to microvesicles from healthy controls. inactive microvesicles were converted to TLR4 activators by partial oxidation. The discovery of TLR4 as the sensor of oxidative stress explains the role of TLR4 in numerous diseases, since oxidative stress is a characteristic signature of inlammatory processes.

Among other achievements of 2015, we can mention the identiication of the minimal structural motif of DNA oligonucleotides for the activation of human and murine TLR9, which is important both for understanding the role of single-stranded Dna in autoimmunity and for the design of oDns as vaccine adjuvants (pohar et al., J. Immunol.).

In the topic of synthetic biology, we invented


protein na DNK ali pa s ciklizacijo preprečimo njegovo vezavo na DNK, razen če prekinemo krožni protein s cepitvijo s proteazo. Ta način je omogočil tudi izvedbo večjega števila logičnih funkcij v celicah in predvsem zelo visoko razlikovanje med nivojem prepisovanja gena v aktivnem in neaktivnem stanju (Lonzarić in sod, nuclacidsRes).

a new principle of gene transcriptional regulation via designed TALE proteins, where we have exploited the fact that the protein chain is wrapped around the Dna. by the cyclization of TaLEs either covalently or noncovalently we can lock the protein to the Dna or prevent its binding to DNA vaccines, unless the circular protein is interrupted by cleavage by a protease. This method also allowed the construction of a large number of logic functions in cells and high diferentiation between the level of gene transcription in an active and inactive state (Lonzarić et al., Nucl. Acids Res.).

Nov tip modularnega topološkega zvitja – polipeptidni tetraeder. (A) Pri sestavi polipeptidne verige TET12, ki tvori tetraeder, smo uporabili načrtovane peptidne segmente, ki tvorijo ortogonalne dimere ovitih vijačnic. Dvanajst segmentov smo nanizali v natančno določenem vrstnem redu, tako da se sestavijo v tetraedersko strukturo. Puščice označujejo usmerjenost segmentov v vsakem dimeru, ki tvori robove tetraedra, s stranico 5 nm. (B) Slike TEM samosestavljive TET12 tetraedrske strukture. Prikazani sta reprezentativni sliki ter projekcije tetraedra v ustrezni orientaciji. Vir: Gradišar in sod., Nature Chemical Biology 2013.

New type of designed topological fold - polypeptide tetrahedron. (A) Designed orthogonal coiled-coil peptide pairs were used to construct a tetrahedron-forming polypeptide chain, TET12. Twelve coiled-coil-forming segments were concatenated into a single chain in a deined order, directing the formation of a tetrahedral self-assembly. Arrows denote the orientation of the interacting coiled-coil-forming elements forming the edges of a 5 nm tetrahedron. (B) TEM images of self-assembled TET12 tetrahedral structures. Representative particles from the TEM images and projections of a tetrahedron in the matching orientation are shown. Gradišar et al., 2013, Nature Chemical Biology.

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RAZISKOVALCI/RESEARCHERS:dr. Ajasja Ljubetičdr. Andreja Majerledr. Anže Smoledr. Gabriela panterdr. Helena Gradišardr. igor Drobnakdr. iva Hafner Bratkovičdr. Jelka pohardr. Karolina ivičak Kocjandr. Mateja Manček Keberdr. Matic legišadr. Mojca Benčinadr. Monika Avbeljdr. primož pristovšek*dr. Rok Gaberprof. dr. Simon Horvat / assoc. prof.dr. tina tinkara peternelj

DOKTORSKI ŠTUDENTI/ PhDSTUDENTS:Anja Golob urbancDarjan Andrejc*Duško Lainšček

Fabio lapentaJana Aupičlucija KaduncMaja Meškopetra SušjanSabina Božič Abramtina lebarVan thai HaVid Kočar*Vida ForstneričŽiga Strmšek

STROKOVNI SODELAVCI IN TEHNIČNOOSEBJE/TECHNICAL STAFF:Anja KristlAnja perčičBojana StevovićDarija ovenirena ŠkrabaJan LonzarićKaren Butinadr. Martina MohorčičMiša Mojca CajnkoRobert Bremšaktina Fink

* ni več član laboratorija / not a member anymore


5 NAJVEČJIH DOSEŽKOV v ZaDnJiH 5 LETiH Dizajn diskretnih logičnih operacij v sesalskih celicah: Dna vezavne domene TaL smo uporabili za pripravo ortogonalnih genskih logičnih vrat NOR. Na osnovi več ortogonalnih vrat noR smo pripravili vseh 16 dvovhodnih logičnih vrat ter pokazali njihovo delovanje v sesalskih celicah. pripravili smo tudi trovhodna logična vrata, kjer lahko usmerjamo izvajanje logičnih operacij prek enega vhoda (Gaber in sod., Nature Chemical Biol. 2014).

Dizajn bistabilnega genskega stikala na osnovi načrtovanih DNA-vezalnih proteinov: Ugotovili smo, da kombinacija dveh represorjev lahko deluje kot stikalo le v primeru nelinearnega odziva. Bistabilno celično vezje smo izdelali na osnovi para TaLE-proteinov z uporabo pozitivne povratne zanke ter kompeticije med aktivatorjem in represorjem za isto vezavno mesto. Uspešno smo pokazali preklop med obema stanjema v sesalskih celicah pod vplivom dveh kemijskih signalov (Lebar in sod., Nature Communications 2014). Oba dosežka odpirata vrata novi generaciji načinov zdravljenja.

Izum novega tipa modularnih proteinskih struktur: Na področju raziskav bionanostruktur smo raziskovali de novo načrtovanje in tvorbo modularnih polipeptidnih poliedrov (Gradišar in sod., Nature Chemical Biology 2013). Gre za popolnoma nov način priprave polipeptidnih struktur, ki se razlikujejo od naravnih vzorcev zvitja proteinov. osnova pristopa je povezovanje ortogonalnih segmentov, ki tvorijo obvite vijačnice, v eno verigo. Ta modularni pristop nam omogoča tvorbo novih struktur, ki jih iz narave ne poznamo.

Dizajn poti zvitja bionanostruktur: poleg dizajna najbolj stabilnih bionanostruktur smo posvetili pozornost tudi kinetiki tvorbe kompleksnih struktur. na primeru DnK piramide smo identiicirali pravila za tvorbo na osnovi topologije (»free end rule«). Na osnovi teh pravil smo dizajnirani štiristrano DnK-piramido iz ene verige, ki se zelo hitro učinkovito sestavi v pravilno strukturo v nasprotju s strukturami, ki ne upoštevajo teh pravil (Kočar in sod., Nature Communications 2016).

Top 5 aCHiEvEMEnTS in THE LAST 5 YEARS The design of discrete logic operations in mammalian cells: TaLE Dna binding domains were used for the preparation of the noR logic gate. based on several orthogonal noR gates we prepared all 16 two-input logic functions and showed their function in mammalian cells demonstrating the universality of the platform to introduce new type of versatile cell control. additionally a three-input logic gate was prepared that can perform logic operations using only one input (Gaber et al., Nature Chemical biol. 2014).

Design of a bistable genetic switch based on the designed DNA binding proteins: a functional genetic bistable switch, which can store 1 bit of epigenetically encoded information, requires a non-linear response and therefore a pair of TaLEs could not work as a simple mutual repressor setup. This problem was solved by the introduction of a positive feedback loop and competition between the activator and repressor for the same binding site for a pair of TaLE proteins. Reversible switching driven by two chemical signals was functional in mammalian cells (Lebar et al., Nature Communications 2014). both of these achievements open the door to a new generation of cell control or medical applications.

The invention of a new type of modular protein folds: aiming to transfer the designability of Dna nanostructures to proteins we conceived a new type of de novo polypeptide modular polyhedra (Gradišar et al., Nature Chemical Biology 2013). This is a new principle of the rational design of protein folds that difer from the natural protein folding patterns. it is based on the pairwise interactions between coiled-coil dimer forming segments that are concatenated into a single chain that forms the edges of a polyhedron in an Eulerian trail. This achievement was commented on in Nature, Science, C&EN and was presented at invited talks including the Gordon research conferences.

Design of the folding pathways of bionanostructures: in addition to the design of the most stable bionanostructures, we

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Molekulski mehanizem konstitutivne aktivacije mutante MyD88 v limfomu (avbelj in sod., Blood 2014): V proteinu MyD88, ki združuje signale več celičnih receptorjev TLR, se pri določenih vrstah limfoma pojavi zelo pogosta mutacija Leu265pro. omenjena mutacija povzroči, da se mutirani proteini povezujejo med seboj ali z normalno obliko proteina ter s tem sprožijo aktivacijo faktorja NFκB, kar prepreči propad rakavih celic. Pokazali smo način preprečevanja oligomerizacije MyD88 ter s tem odprli pot za razvoj zdravil proti rakavim celicam.

also focused on the kinetics of the formation of complex structures. in the case of a Dna square pyramid we identiied rules for the formation of a highly knotted structure (“free end rule”). Based on these rules, we designed a single chain square Dna pyramid that rapidly and efectively folds into the correct knotted structure, unlike structures that do not follow these rules (Kočar et al., Nature Communications 2016).

The molecular mechanism of the constitutive activation of MyD88 mutants in lymphoma (Avbelj et al., Blood 2014): Certain types of lymphoma are characterised by the mutation Leu265pro of the protein MyD88. The later combines the signals from multiple cell receptors TLRs. This mutation causes the constitutive activation of the MyD88-signalling pathway. We explained the molecular basis of the allosteric efect of the TIR domain of MyD88 and demonstrated that this mutation is selected by cancer cells. The prevention of MyD88 oligomerization opens the way for the development of new therapies against cancer.

Logične operacije v sesalskih celicah. Celice sprejemajo številne signale iz okolja ter celičnih procesov ter jih procesirajo na osnovi programa, katerega načrt samo deloma razumemo. Po drugi strani pa želimo reprogramirati biološke sisteme za različne namene na področjih od medicine do biosinteze. V tem primeru želimo, da se biološki sistemi odzivajo predvidljivo in zanesljivo, tako kot elektronski računalniki. Proteine TALE lahko dizajniramo tako, da se vežejo na izbrano zaporedje DNA, kar nam omogoča pripravo velikega števila transkripcijskih faktorjev, ki delujejo neodvisno od drugih procesov. Na osnovi proteinov TALE-KRAB smo pripravili genska logična vrata NOR, katerih kombinacija omogoča izvedbo katerekoli logične operacije in demonstrirali njihovo delovanje na pripravi vseh 16 dvovhodnih logičnih operacij v človeških celicah HEK293. Vir: Gaber in sod., Nature Chemical Biology 2014.

Logic operations in mammalian cells. Cells receive signals from a number of environmental and cellular processes that are processed based on the biological instructions. Often we strive to repurpose biological systems for various reasons from medicine to biosynthesis. In such a case, we want predictable and reliable responses in accordance with our requirements such as are known in electronic computers. TALE proteins can be designed to bind to almost any selected DNA sequence. These proteins enable us to prepare transcription factors that are independent of the cellular context. Based on TALE-KRAB designed repressors, we prepared logic NOR gates, the combination of which enables the implementation of any of the logic operations. This principle was demonstrated in the preparation of 16 two-input logic operations in human HEK293 cells. Gaber et al. 2014 Nature Chemical Biology.


5 NAJBOLJŠIH ČLANKOV V ZNANSTVENIH REVIJAH V ZADNJIH 5 LETIH / THE 5 BEST ARTICLES IN SCIENTIFIC PUBLICATIONS IN THE LAST 5 YEARS1. AVBELJ, Monika, WOLZ, Olaf-Oliver, FEKONJA, Ota, BENČINA, Mojca, REPIČ, Matej, MAVRI, Janez,

KRÜGER, Jens, SCHÄRFE, Charlotta, DELMIRO-GARCIA, Magno, PANTER, Gabriela, KOHLBACHER, Oliver, WEBER, Alexander N.R., JERALA, Roman. Activation of lymphoma-associated MyD88 mutations via allostery-induced TIR domain oligomerization, Blood, 2014, 124, p. 3896–3904

2. GABER, Rok, LEBAR, Tina, MAJERLE, Andreja, ŠTER, Branko, DOBNIKAR, Andrej, BENČINA, Mojca, JERALA, Roman. Designable DNA-binding domains enable construction of logic circuits in mammalian cells. Nature chemical biology, 2014, 10, p. 203–208

3. GRADIŠAR, Helena, BOŽIČ ABRAM, Sabina, DOLES, Tibor, VENGUST, Damjan, HAFNER BRATKOVIČ, Iva, MERTELJ, Alenka, WEBB, Ben, ŠALI, Andrej, KLAVŽAR, Sandi, JERALA, Roman. Design of a single-chain polypeptide tetrahedron assembled from coiled-coil segments. nature chemical biology, 2013, vol. 9, 362–366

4. LEBAR, Tina, BEZELJAK, Urban, GOLOB, Anja, JERALA, Miha, KADUNC, Lucija, PIRŠ, Boštjan, STRAŽAR, Martin, VUČKO, Dušan, ZUPANČIČ, Uroš, BENČINA, Mojca, FORSTNERIČ, Vida, GABER, Rok, LONZARIĆ, Jan, MAJERLE, Andreja, OBLAK, Alja, SMOLE, Anže, JERALA, Roman. A bistable genetic switch based on designable DNA-binding domains. Nature communications, 2014, 1–13, 5007

5. MANČEK KEBER, Mateja, FRANK BERTONCELJ, Mojca, HAFNER BRATKOVIČ, Iva, SMOLE, Anže, ZORKO, Mateja, PIRHER, Nina, HAYER, Silvia, KRALJ IGLIČ, Veronika, ROZMAN, Blaž, ILC, Nejc, HORVAT, Simon, JERALA, Roman. Toll-like receptor 4 senses oxidative stress mediated by the oxidation of phospholipids in extracellular vesicles. Science Signaling, 2015, 1–12

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6 preglednih znanstvenih člankov review Articles

2 strokovna članka professional Articles

2 poljudna članka popular Articles

1 intervju interview

1 univerzitetni, visokošolski ali višješolski učbenik z recenzijo

reviewed University, Higher education or Higher Vocational education textbook




published Scientiic Conference Contributions

1 objavljeni povzetek strokovnega prispevka na konferenci

published professional Conference Contribution Abstract


2 patenta patents



3 vabljena predavanja na konferencah brez natisa Unpublished invited Conference Lectures

11 diplom Undergraduate theses

5 magisterijev Master's thesis

2 doktorata Doctoral Dissertations



Kemijsko inženirski razvoj konvencionalnih in obnovljivih virov

surovin za pretvorbo v raznovrstne

nadaljnje gradnike in dragocene posebne

kemikalije.

GLavnE DEJavnoSTi LaboRaToRiJa Člani programske skupine se ukvarjamo s kvantitativnim opredeljevanjem kemijskih pretvorb različnih izhodnih specij v želene produkte v homogenih in heterogenih kataliziranih ali nekataliziranih reakcijskih sistemih in s sintezo ter karakterizacijo trdnih katalizatorjev. S teoretskimi in eksperimentalnimi raziskavami opredeljujemo termodinamične stopnje teh pretvorb, določamo kinetiko reakcij, ki jo potrebujemo za napoved potrebnega reakcijskega časa za doseganja želene stopnje pretvorbe in za določevanje dimenzij naprav, v katerih procesi potekajo. Ker v praksi večina izikalnih in kemijskih pretvorb poteka v večfaznih sistemih, je poudarek na interakciji kemijske kinetike s transportnimi pojavi ter dinamiko luidov.

Znotraj teoretičnih raziskav uporabljamo tudi metode kvantne kemije in statistične termodinamike, ki omogočajo vpogled v dogajanje na katalizatorju na atomski skali. S kvantnokemijskimi metodami študiramo stabilne strukture reaktantov in intermediatov na katalizatorjih ter različne mehanizme njihovih medsebojnih pretvorb, z metodami statistične termodinamike pa iz tega izpeljemo celokupno reakcijsko kinetiko. S tem napovemo aktivnost posameznih katalizatorjev ter pojasnjujemo opažene eksperimentalne rezultate.

Chemical engineering development of

conventional and renewable resources

into various building blocks and value-

added specialty chemicals.

RESEaRCH aCTiviTiES The members of the research program group are engaged in quantitative determination of chemical transformations of various reactant species into desired products in homogeneous and heterogeneous catalysed and non-catalysed reaction systems and in synthesis and evaluations of new catalytic materials. With the help of theoretical and experimental research methods, we determine thermodynamic feasibility of these transformations and measure intrinsic reaction rates, which are needed for the prediction of reaction time required for obtaining the desired level of conversion and for dimensioning of process equipment and reactors. owing to the fact that in practice most of the physical and chemical transformations proceed in multiphase systems, the emphasis of our research is focused on the interaction of chemical kinetics with transport phenomena and luid dynamics.

Within the theoretical research, quantum chemistry and statistical thermodynamics methods are also used, which allow us to understand the atomic processes on catalysts. Stable structures of reactants and intermediates on catalysts and diferent mechanisms for their interconversion are studied with quantum chemistry, while bulk reaction kinetics then follows from statistical thermodynamics. in this manner, we predict the activity of individual catalysts and explain the experimental results.

l13Laboratory for Catalysis and Chemical Reaction Engineering

Laboratorij za katalizo in reakcijsko

inženirstvo

109

VODJA/HEADdr. Gorazd Berčič, v. d. do/until 22. 11. 2015

akademik prof. dr. Janez Levec od/from 23. 11. 2015

Osnovni poudarek raziskav je na:• študiju kinetike in mehanizmov kataliziranih

reakcij v procesih proizvodnje in čiščenja vodika ter načrtovanju kompaktnega procesorja za proizvodnjo vodika iz primarnih goriv (fosilnih in obnovljivih) za pEM gorivne celice

• preučevanju kemijske kinetike, prenosa snovi in hidrodinamike pri postopku hidrogeniranja utekočinjenega lesa in iz biomase izvirajočih komponent (vpliv temperature, tlaka, ogrevalne hitrosti, mešanja, količine in vrste katalizatorja in topila)

• študiju parnega reforminga za produkcijo vodika in sinteznega plina na katalitskih ploščicah z različno razvito morfologijo (različno število oksidacijsko/redukcijskih ciklov in ogrevalne hitrosti)

• sintezi ter strukturni in elektrokemični karakterizaciji novih anodnih katalizatorjev za metanolno gorivno celico

• strukturni in elektrokemični karakterizaciji novih katodnih katalizatorjev z nizko vsebnostjo pt za uporabo v pEM-gorivnih celicah

• sintezi ter strukturni in elektrokemični karakterizaciji nanokompozitnih protonsko prevodnih polimernih membran za visokotemperaturne pEM-gorivne celice

• načrtovanju mikroreaktorja za proizvodnjo vodika iz metanola z reformingom ali dekompozicijo v prenosnih napajalnih sistemih z gorivnimi celicami

• toplotni integraciji reformerja metanola in visokotemperaturne pEM-gorivne celice v prenosnih napajalnih sistemih z gorivnimi celicami

• študiju vpliva pogojev sušenja impregniranih monolitnih nosilnikov na porazdelitev aktivne

The emphasis of the research is focused on:• study of chemical kinetics, mass transfer

and hydrodynamics in liqueied wood and biomass-derived precursors’ hydrogenation process (efect of temperature, pressure, heating rate, mixing, type and content of the catalyst and solvent quantity)

• steam reforming for hydrogen and syngas production on catalytic plates with diferent evolved morphologies (various number of oxidation/reduction cycles and heating rate)

• study of kinetics and mechanisms of catalysed reactions in hydrogen production and cleaning processes; design of compact processor for hydrogen production from primary sources (fossil and renewable) for pEM fuel cells

• synthesis, structural and electrochemical characterisation of new anode catalysts for direct methanol fuel cells

• structural and electrochemical characterisation of new cathode catalysts with low pt content for pEM fuel cells

• synthesis, structural and electrochemical characterisation of proton conducting nanocomposite polymer membrane for pEM fuel cells

• design of microreactor for hydrogen production through methanol reforming or decomposition in manwearable charging systems with fuel cells

• development of heat-integrated system methanol reformer – high-temperature PEM fuel cell in manwearable charging systems

• study of the inluence of drying condition on the distribution of active phase within monolithic catalysts prepared with controlled wetness incipient impregnation technique

• the study of mass transport and hydrodynamic conditions on the measured


faze pri pripravi monolitnih katalizatorjev z metodo kontroliranega omakanja

• študiju vpliva masnega transporta in hidrodinamskih pogojev na izmerjeno globalno reakcijsko hitrost in položaj reakcijske cone v trifaznih katalitičnih membranskih reaktorjih

• interpretaciji eksperimentalnih meritev na podlagi matematičnega modeliranja in optimizacije parametrov

• študiju termodinamskega faznega ravnotežja, faznih prehodov in topnosti pri povišanih temperaturah in tlakih, tudi v superkritičnem območju, območju kritične točke ali blizu kritičnih pogojev za načrtovanje, optimizacijo in vodenje kemijskih in separacijskih procesov

Sklop petih večfaznih reaktorjev s strnjenim slojem katalizatorja za vrednotenje raznovrstnih katalitskih postopkov.

System of ive multiphase ixed bed catalytic reactors for assesement of various catalytic processes.

global reaction rates in three phase catalytic membrane reactors

• interpretation of experimental data through mathematical modelling and optimisation of parameters

• thermodynamic phase equilibria, phase transition and solubility study at higher temperatures and pressures up to supercritical, critical or near-critical conditions for design, optimisation and control of chemical and separation processes

111

GLAVNI DOSEŽKI V LETU 2015 v letu 2015 smo nadaljevali z raziskavami nizkotemperaturnega utekočinjanja lesa v glicerolu s homogenim katalizatorjem v obliki imidazolijevih ionskih tekočin (IL). Študirali smo vpliv vrste IL, časa reakcije, temperature in snovnega transporta. Razvili smo inovativen kinetični model solvolize komponent biomase, kjer reaktivna površina narekuje hitrost reakcije trdno–tekoče, ob upoštevanju različne depolimerizacijske reaktivnosti celuloze, hemiceluloze in lignina. Študirali smo tudi hidrodeoksigenacijo utekočinjene biomase z nanostrukturiranimi MoS2, anorganskimi fulereni z ogljikom ter komercialno dostopnimi katalizatorji NiMo/Al2O3 v sulidni obliki [COBISS.SI-ID 5537562].

nadaljevale so se aktivnosti v okviru projekta Obzorja 2020, MefCO2 (http://www.spire2030.eu/mefco2/). Glavni cilj je postavitev sinteznega obrata za proizvodnjo metanola iz ogljikovega dioksida visokih koncentracij, pridobljenega iz izpušnih plinov termoelektrarn, ki uporabljajo fosilna goriva ali pa iz emisij postopkov sežiga in uplinjanja biomase za proizvodnjo električne in toplotne energije ter s tem zmanjšati izpuste ogljikovega dioksida v okolje.

Vezava intermediata H2COOH pri hidrogenaciji CO2 v metanol na industrijskem katalizatorju Cu/ZnAl2O4 spinelnega tipa.

Binding of H2COOH intermediate during hydrogenation of CO2 to methanol on industrial spinel-type catalyst Cu/ZnAl2O4.

iMpoRTanT aCHiEvEMEnTS in 2015The research of the wood solvolysis in glycerol was continued in the presence of homogeneous imidazolium-based ionic liquid (iL) catalysts. The inluence of the IL type, reaction time, temperature and mass transfer limitations on decomposition rate was investigated. a novel kinetic model was developed, where the reactive surface area dictates the rate of solid–liquid reaction, considering diferent depolymerisation reactivity of the main three wood components. Liqueied biomass was consequently hydrodeoxygenated in the presence of synthesised nanostructured MoS2, inorganic-fullerene with carbon or commercially available sulphide-form NiMo/γ-Al2O3 catalyst [COBISS.SI-ID 5537562].

The activities continued within Horizon 2020 on the project MefCO2 (http://www.spire2030.eu/mefco2/). The main goal is to develop a methanol synthesis plant from Co2 of high concentrations, originating from thermal power stations using fossil fuels or from the emissions of gasiication systems and biomass combustion producing electric/thermal energy and to reduce the emissions of Co2 into the environment.


Leta 2015 smo začeli aktivnosti v okviru projekta Obzorja 2020, nextBioPharmDSP (http://nextbiopharmdsp.eu/), Novi razred zaključnih postopkov v biofarmacevtiki. Cilj projekta je izboljšati učinkovitosti postopkov ločevanja in čiščenja pri proizvodnji biofarmacevtskih učinkovin, saj ti dve stopnji še vedno pomenita ozko grlo v proizvodnji. namen projekta je znatno zmanjšati stroške proizvodnje in povečati dostopnost izjemno učinkovitih zdravil na trgu. Kot drugi cilj projekta pa je napraviti postopke bolj trajnostne in z manjšim okoljskim odtisom.

Začele so se dejavnosti v okviru projekta Obzorja 2020, ADREM (http://spire2030.eu/adrem/), ki združuje vodilne industrijske, univerzitetne in druge raziskovalne skupine s področja izboljševanja postopkov, inženirstva katalitskih reaktorjev ter vodenja procesov. Tematika so energijsko učinkovite pretvorbe raznovrstnih surovin, vsebujočih metan do C2+ ogljikovodikov. Glavni cilj projekta je razvoj novih in izboljšanih prilagodljivih katalitskih reaktorskih sestavov za raznoliko ter razpršeno proizvodnjo z visokimi izkoristki ter zahtevano porazdelitev produktov.

Kinetika sočasnega utekočinjanja in nadgradnje biomase.

Kinetics of simultaneous liquefaction and upgrade of biomass.

The activities commenced within the Horizon 2020 on the project nextBioPharmDSP (http://nextbiopharmdsp.eu/). The scope of the project is the optimisation of downstream processing for the production of Biopharmaceuticals, since it still represents a major bottleneck. Consequently, improvements in this area produce substantial cost reductions and expand patients’ accessibility to highly eicient drugs. another aim of this action is to lower its environmental footprint and to move to more sustainable technologies.

The activities commenced within the Horizon 2020 also on the project ADREM (http://spire2030.eu/adrem/), which unites the leading industries and university groups in process intensiication, catalytic reactor engineering and process control team up to addressing the domain of resource- and energy-eicient valorisation of variable methane feedstocks to C2+ hydrocarbons. The project is focused on the development of new and intensiied adaptable catalytic reactor systems for lexible and decentralised production during high process performance and delivery of required product distribution.

113

5 NAJVEČJIH DOSEŽKOV V ZaDnJiH 5 LETiH • projekt Obzorja 2020, Sinteza metanola

iz zajetega ogljikovega dioksida z uporabo presežne električne energije (MefCO2)

• projekt Obzorja 2020, Prilagodljivi reaktorji za surovinsko in energijsko učinkovito pretvorbo metana (aDREM)

• postavitev več novih procesnih sistemov: reaktor za sočasni reforming oziroma

RAZISKOVALCI/RESEARCHERS:dr. Andraž pavlišić (od/from 1. 12. 2015)doc. dr. Andrej pohar / assist. prof.doc. dr. Blaž Likozar / assist. prof.dr. Gorazd Berčičdr. Ljudmila Fele Žilnikdr. Matej Huš (od/from 1. 5. 2015)dr. Miha Grilcdr. Stanko Hočevardr. Venkata Desireddy (od/from 20. 5. 2015)

DOKTORSKI ŠTUDENTI/PhD STUDENTS:Brigita Hočevar (od/from 1. 10. 2015)Damjan Lašič Jurković (od/from 1. 10. 2015)Marko trampuž (od/from 1. 10. 2015)Mitja ogrizek (od/from 1. 11. 2015)neja Strah (od/from 1. 10. 2015)Rok Ceglar (do/until 30. 11. 2015)

STROKOVNI SODELAVCI IN TEHNIČNOOSEBJE/TECHNICAL STAFF:Karmina ŠpilarMatic Grom (od/from 1. 2. 2015)Saška Javornik (od/from 28. 09. 2015)Urška Kavčič

5 Top aCHiEvEMEnTS in LaST 5 YEARS • project Horizon 2020, Methanol synthesis

from captured Co2 using excess electric energy (MefCo2)

• project Horizon 2020, Adaptable reactors for Resource- and Energy-Eicient Methane valorisation (aDREM)

• set-up of few new process systems: reactor for simultaneous reforming/capturing of Co2,


zajemanje Co2, reaktor za sintezo oziroma odstranjevanje metanola, katalitski membranski reaktorji itd.

• podeljen ameriški patent (29. september 2015) US 9,147,885 B2 (izumitelji: Marjan Bele, Miran Gaberšček, Gregor Kapun, Nejc Hodnik, Stanko Hočevar; naslov: ELECTROCATALYTIC COMPOSITE(S), ASSOCIATED COMPOSITION(S), anD aSSoCiaTED pRoCESS(ES))

reactor for synthesis/removing of methanol, catalytic membrane reactors, etc.

• american patent (29 September 2015) US 9,147,885 B2 (Inventors: Marjan Bele, Miran Gaberšček, Gregor Kapun, Nejc Hodnik, Stanko Hočevar; Title: ELECTROCATALYTIC COMPOSITE(S), ASSOCIATED COMPOSITION(S), anD aSSoCiaTED pRoCESS(ES))

5 NAJBOLJŠIH ČLANKOV V ZNANSTVENIH REVIJAH V ZADNJIH 5 LETIH / THE 5 BEST ARTICLES IN SCIENTIFIC PUBLICATIONS IN THE LAST 5 YEARS1. PERKO, David, POHAR, Andrej, LEVEC, Janez. Hydrogenation of CO2 and Co in a high temperature

gradient ield between catalyst surface and opposite inert cool plate. AIChE journal, 2014, vol. 60, str. 613-622, doi: 10.1002/aic.14280. [COBISS.SI-ID 5408538]

2. GRILC, Miha, LIKOZAR, Blaž, LEVEC, Janez. Hydrodeoxygenation and hydrocracking of solvolysed lignocellulosic biomass by oxide, reduced and sulphide form of NiMo, Ni, Mo and Pd catalysts. Applied catalysis. B, Environmental, 2014, vol. 150/151, str. 275-287, doi: 10.1016/j.apcatb.2013.12.030. [COBISS.SI-ID 5395994]

3. LINEC, Mitja, BERČIČ, Gorazd, LEVEC, Janez. Evaluating the operating parameters of membrane contactors using a recycle type continuous low membrane reactor. Journal of membrane science, 2014, vol. 458, str. 209-216, doi: 10.1016/j.memsci.2014.02.008. [COBISS.SI-ID 5424154]

4. LOTRIČ, Andrej, SEKAVČNIK, Mihael, HOČEVAR, Stanko. Efectiveness of heat-integrated methanol steam reformer and polymer electrolyte membrane fuel cell stack systems for portable applications. Journal of power sources, 2014, vol. 270, str. 166-182, doi: 10.1016/j.jpowsour.2014.07.072. [COBISS.SI-ID 13635611]

5. OBRADOVIĆ, Ana, LIKOZAR, Blaž, LEVEC, Janez. Steam methane reforming over Ni-based pellet-type and Pt/Ni/Al2O3 structured plate-type catalyst: intrinsic kinetics study. Industrial & engineering chemistry research, 2013, vol. 52, str. 13597-13606, doi: 10.1021/ie401551m. [COBISS.SI-ID 5299482]

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2 pregledna znanstvena člankqa review Articles

22 poljudnih člankov popular Articles




1 patent patent


3 končna poročila o rezultatih raziskav Final research reports

1 elaborat, predštudija, študija treatise, preliminary Study, Study






l14Laboratory of biomolecular Structure

Laboratorij za strukturo biomolekul

Pri naših raziskavah razvijamo in uporabljamo širok nabor računskih, eksperimentalnih in teoretičnih metod za preučevanje povezav med osnovnimi izikalnimi silami in biomolekularnimi procesi, kot so zvitje peptidov in proteinov, hidrofobni efekt, tvorba kompleksov in vezava ligandov, interkcija proteinov z membranami, reakcijska kinetika, itd. Pri tem uporabljamo visoko zmogljive računalniške gruče, vibracijsko in NMR spektroskopijo ter nevtronsko sipanje, kar nam omogoča natančen vpogled v strukturo, dinamiko in molekularno funkcijo biomolekul ter njihovih kompleksov.

GLavnE DEJavnoSTi LaboRaToRiJa • zvitje proteinov• različna stanja proteinov (amiloidna

vlakna, denaturirani proteini, intrinzično nestrukturirani proteini)

• nekovalentne interakcije (vodikova vez, elektrostatika, solvatacija)

• hidrofobni efekt• interakcije ligand-receptor • določanje tridimenzionalnih struktur in

dinamike biomolekul • razvoj metod za izvajanje in analizo klasičnih

in ab-initio simulacij molekularne dinamike pri reševanju problemov molekularne bioizike

• razvoj teoretičnih modelov za opis degradacijske kinetike v tankih plasteh

In our research we develop and use

a broad range of computational, experimental and theoretical methods

focusing on the relationship between

fundamental physical forces and biomolecular processes including peptide

and protein folding, hydrophobic effect, complex formation and ligand binding, protein-membrane interaction, reaction kinetics, etc. We apply high-performance computers, vibrational spectroscopy, NMR, and neutron scattering, which allow us to explore the structure, dynamics, and molecular functions of biomolecules and their complexes.

TopiC aREaS • protein folding• various protein states (amyloid ibrils,

denaturated proteins, intrinsically unstructured proteins)

• non-covalent interactions (hydrogen bonding, electrostatics, solvation)

• hydrophobic efect • ligand-receptor interactions• determination of the three-dimensional

structure and dynamics of bio-molecules • methods development for the implementation

and analysis of classical and ab-initio molecular dynamics simulations used to elucidate problems of molecular biophysics

• the development of theoretical models for the description of degradation kinetics in thin ilms

117

VODJA/HEADdr. Franc avbelj

GLAVNI DOSEŽKI V LETU 2015Fizikalni izvor hidrofobnosti: Povečana jakost vodikovih vezi molekul vode v bližini hidrofobnih topljencev Hidrofobni materiali odbijajo vodo.

Za zmanjšanje stika zato voda na hidrofobni površini tvori kapljice. Ta pojav je znan že iz antičnih časov, vendar pa je njegov izikalni izvor še vedno nepojasnjen. Za študij hidrofobnosti na najbolj osnovni ravni smo uporabili majhne, popolnoma hidrofobne topljence (alkani, žlahtni plini) v vodi. Klasična razlaga hidrofobnosti je, da se v bližini teh topil oblikujejo mikroskopske ledene gore (icebergs), vendar pa eksperimentalnih dokazov za njihov obstoj do zdaj ni bilo. Pokazali smo, da v bližini hidrofobnih topljencev takšne ledene gore dejansko obstajajo kot posledica ojačanih vodikovih vezi med molekulami vode. pokazali smo tudi, da je izikalni izvor hidrofobnosti v elektrostatskem senčenju, kar je popolnoma nova razlaga hidrofobnosti molekul.

N-terminalni peptidi treh človeških izooblik mitohondrijskega anionskega kanala imajo različne preference za tvorbo α-vijačnice

Pokazali smo, da se peptidni fragmenti med seboj razlikujejo v intrinzični preferenci do tvorbe α-vijačnice, kar je vzrok za selektivnost napetostne regulacije permeabilnosti in razlog za izbrane interakcije s funkcijsko povezanimi proteini.

Vpogled v intramolekularne interakcije novega sintetičnega analoga hormona LHRH, skopljenega z modiiciranim β-ciklodestrinom

S kombinacijo metod jedrske magnetne resonance in molekularnega modeliranja smo

iMpoRTanT aCHiEvEMEnTS in 2015 The origin of hydrophobicity: Enhanced water hydrogen bond strength near hydrophobic solutes

Hydrophobic materials repel water so that the latter forms droplets to minimize the contact. This property has been known for centuries; however, its physical origin is unclear. Here we used small, purely hydrophobic solutes (alkanes, noble gases) in water as models by which we study hydrophobicity at the most fundamental level. The classical explanation of hydrophobicity is that ‘icebergs’ are formed near such solutes; however, there is no experimental proof of their existence. We show that such ‘icebergs’ are indeed formed near hydrophobic solutes due to enhanced water hydrogen bonding. a new explanation of the physical origin of hydrophobicity, based on electrostatic screening, is proposed.

The N-terminal peptides of the three human

isoforms of the mitochondrial voltage-dependent anion channel have diferent helical propensities

We have characterised the conformational equilibriums for three peptides. Signiicant diferences have been found in their intrinsic helical propensity. our results suggest the diferent chemo-physical properties of the n-terminal domains are correlated with channel permeability and speciic interactions with target proteins.

Insight into the intramolecular interactions of a novel synthetic hormone LHRH analogue coupled with modiied β-cyclodextrin


odkrili hidrofobne intramolekularne interakcije med aromatskimi stranskimi verigami novega LHRH-analoga in notranjostjo pripetega ciklodekstrina, ki so bistvene za učinkovitejšo dostavo hormona v telo. naše ugotovitve so pomembne za nadaljnji razvoj analogov hormona LHRH, ki uvaja nove perspektive za zdravljenje hormonsko odvisnega raka in neplodnosti.

Modeliranje nastanka NOx pri solnih talinah

v okviru projekta s podjetjem alstom-power smo z uporabo simulacij ab initio molekularne dinamike talin nitratnih soli izvedli teoretične študije sproščanja škodljivih plinov NOx.

Napovedovanje življenjske dobe premazov za sončne kolektorje

v sklopu EU-projekta nECSo in projekta s podjetjem brightSource industries israel smo razvili učinkovite teoretične modele za napovedovanje življenjske dobe premazov, ki se uporabljajo pri sončnih kolektorjih.

The existence of hydrophobic intramolecular interactions between aromatic side chains of LHRH analogue with the interior core of coupled cyclodextrin, which could lead to improved drug delivery, were revealed by the application of nMR and molecular modelling methods. The results are important for the further development of the hormone LHRH analogues, which introduces new perspectives in the treatment of hormone dependent cancer and fertility.

Modelling NOx evolution in molten salts

Within an research project with alstom-power Company, we used ab-initio molecular dynamics simulations to perform theoretical studies of nox evolution and degradation processes in molten nitrate salts.

Lifetime assessment of solar panel coatings

We have developed eicient models for the life-time assessment of solar-panel coatings within the framework of the EU project nECSo and the project with the company brightSource industries israel.

Atomistični model površine solne taline v stiku s kisikom.

Atomistic model of molten salt surface element in contact with oxygen.

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5 NAJVEČJIH DOSEŽKOV V ZaDnJiH 5 LETiH Z vibracijsko spektroskopijo in simulacijami molekulske dinamike ab initio smo pokazali, da v bližini majhnih hidrofobnih topljencev (alkani, žlahtni plini) v vodi nastajajo mikroskopske ledene gore kot posledica okrepljenih vodikovih vezi, kar smo pojasnili z elektrostatskim senčenjem.

Odkrili smo, da je senčenje elektrostatskih interakcij med atomi glavne verige s solvatacijo glavni vzrok tudi za nastanek lokalnih struktur v denaturiranih polipeptidih, kot so konformacijske preference, učinek najbližjega soseda, β-struktur.

Top 5 aCHiEvEMEnTS in THE LAST 5 YEARS We have used vibrational spectroscopy and ab-initio molecular dynamics simulations to show that microscopic ‘icebergs’, stabilized by enhanced water hydrogen bonding, exist near small hydrophobic solutes (alkanes, noble gases) in water, which is explained by electrostatic screening.

We have discovered that the screening of electrostatic interactions between main-chain atoms with solvation is also the main reason for the formation of the following local structures in unfolded poly-peptides: conformational preferences, nearest-neighbour efect, and transient β-strands.

RAZISKOVALCI/RESEARCHERS:dr. Darko Kocjandoc. dr. Franci Merzel / assist prof.prof. dr. Jože Grdadolnik / assoc. prof.prof. dr. Simona Golič Grdadolnik / assoc. prof.

DOKTORSKI ŠTUDENTI/PhD STUDENTS:Kaja purebertina Gregorič

STROKOVNI SODELAVCI IN TEHNIČNO OSEBJE/TECHNICAL STAFF:urban novak


Z uporabo spektroskopskih metod smo določili strukture dipeptidov 19 osnovnih aminokislin v vodni raztopini, kar je pomembno za razvoj novih bolj natančnih proteinskih potencialnih polj.

Pokazali smo, da je hidrofobna hidratacija povezana s povečanjem večdelčnih korelacij med molekulami vode okoli topljenca, pri čemer se te pojavijo kot kompenzacija za zmanjšanje luktuacij elektrostatskega polja.

Prvi smo na atomski ravni uspeli določiti vezavne interakcije inhibitorja s protiglivnim delovanjem, ki ima drugačen strukturni skelet, kot ga imajo azoli, in ugotovili ključne interakcije za selektivno delovanje te nove vrste inhibitorjev na glivni encim CYP51, ki je glavna tarča za zdravljenje glivnih okužb.

Using spectroscopic methods we have determined the dipeptide structures of 19 basic amino acids in aqueous solutions, which are now used as benchmarks for developing new protein force ields.

We have shown that the hydrophobic hydration is associated by pronounced many-body correlations between water molecules that emerge as a nonlocal compensation of reduced luctuations of local electrostatic ields in the presence of an apolar solute.

The binding interactions of an inhibitor with antifungal activity and diferent structure scafold from azoles were determined at the atomic level for the irst time and the key binding interactions of this novel type of inhibitors responsible for their selective inhibition of fungal CYP51 enzyme, the main drug target for the treatment of human infections with fungi, over the human ortholog were revealed.

(levo) Izseki iz prenesenega NOESY-spektra z NOE-korelacijskimi signali, ki kažejo prostorsko bližino med posameznih segmenti obeh diastereomer novega inhibitorja v prisotnosti humanega CYP51. (desno) Energijsko najugodnejša lega novega inhibitorja v aktivnem mestu CYP51, ki je v skladu z izmerjenimi NOE-signali. Interakcije halogeniranega fenilnega obroča z neohranjenima aminokislinskima ostankoma Ile379 in Met381 (Ser378 in Phe380 v glivnem CYP51) so ključne za selektivno vezavo.

(left) Expanded regions of a transferred NOESY spectrum with the NOE connectivities indicating the spatial proximity of molecular segments of both diastereomers of novel inhibitor in the presence of human CYP51. (right) The energetically most favourable binding pose of new inhibitor in the CYP51 active site, which is consistent with the measured NOE connectivities. The interactions of the halogenated phenyl ring with unconserved residues Ile379 and Met381 (Ser378 and Phe380 in fungal CYP51) are crucial for selective binding.

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5 NAJBOLJŠIH ČLANKOV V ZNANSTVENIH REVIJAH V ZADNJIH 5 LETIH / THE 5 BEST ARTICLES IN SCIENTIFIC PUBLICATIONS IN THE LAST 5 YEARS1. GRDADOLNIK, Jože, MOHAČEK-GROŠEV, Vlasta, BALDWIN, Robert Lesh, AVBELJ, Franc.

populations of the three major backbone conformations in 19 amino acid dipeptides. Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 2011, vol. 108, no. 5, str. 1794–1798

2. GODEC, Aljaž, MERZEL, Franci. Physical origin underlying the entropy loss upon hydrophobic hydration. Journal of the American Chemical Society, ISSN 0002-7863, 2012, vol. 134, issue 42, str. 17574–17581

3. GODEC, Aljaž, SMITH, Jeremy C., MERZEL, Franci. Soft collective luctuations governing hydrophobic association. Physical review letters, ISSN 0031-9007. [Print ed.], Sep. 2013, vol. 111, iss. 12, str. 127801-1 - 127801-5

4. ZELENKO, Urška, HODOŠČEK, Milan, ROZMAN, Damjana, GOLIČ GRDADOLNIK, Simona. Structural insight into the Unique binding properties of pyridylethanol(phenylethyl)amine Inhibitor in Human CYP51. Journal of chemical information and modeling, ISSN 1549-9596. [Print ed.], Dec. 2014, vol. 54, iss. 12, str. 3384–3395

5. SIMČIČ, Mihael, PUREBER, Kaja, KRISTAN, Katja, URLEB, Uroš, KOCJAN, Darko, GOLIČ GRDADOLNIK, Simona. A novel 2-oxoindolinylidene inhibitor of bacterial MurD ligase : enzyme kinetics, protein-inhibitor binding by NMR and a molecular dynamics study. European Journal of Medicinal Chemistry, ISSN 0223-5234. [Print ed.], Aug. 2014, vol. 83, str. 92–101


4 izvirni znanstveni članki original Scientiic Articles


1 objavljeni povzetek znanstvenega prispevka na konferenci (vabljeno predavanje)

published Scientiic Conference Contribution Abstract (invited Lecture)

4 objavljeni povzetki znanstvenih prispevkov na konferencah






l15Slovenian nMR Centre

(nMR) nacionalni center za nMR

spektroskopijo visoke ločljivosti

NMR spektroskopija – ključna metoda v vedah o življenju in materialih

GLavnE DEJavnoSTi LaboRaToRiJa • študij struktur oligomernih fragmentov

nukleinskih kislin ter konformacijskih sprememb gradnikov DnK ob interakciji s kovinskimi ioni

• študij struktur in dinamike proteinov, zvijanja proteinov in molekularnih interakcij peptidov

• študij interakcij med ligandi in receptorji• študij struktur in dinamike aktivnih učinkovin v

povezavi z njihovim biološkim učinkom• raziskave struktur in dinamike organskih

molekul, detekcije in karakterizacije reaktivnih intermediatov pri reakcijah organskih in organokovinskih spojin

• razvoj novih sintetskih metodologij na osnovi asimetrične katalize

• uporaba lastnih metodologij za pripravo industrijsko relevantnih molekul

• študij konformacijskih lastnosti anionskih receptorjev in transporterjev

• študij strukturnih lastnosti naravnih produktov• študij struktur in konformacijskih ravnotežij

metabolitov v raztopini in v trdnem stanju• določanje neželenih stranskih in razgradnih

produktov v zdravilih• karakterizacija kemijskih struktur poroznih

materialov na fosfatni osnovi in strukturnih sprememb v procesu hidrotermalne sinteze zeolitov

• karakterizacija materialov za shranjevanje toplotne in električne energije

• študij struktur in čistosti polimernih materialov, vsebnosti stranskih produktov olimerizacije, mehanizmov polimerizacije,

NMR spectroscopy – a key method in life sciences and materials

TopiC aREaS • studies of the structure of oligomeric nucleic

acids fragments and conformational changes of building blocks of Dna upon interaction with metal ions

• protein structure and dynamics, protein folding and molecular interactions of peptides,

• ligand-receptor interactions• the structure and dynamics of active

(pharmaceutical) molecules in relation to their biological roles

• the structure and dynamics of organic molecules, the detection and characterization of reactive intermediates in reactions of organic and organometallic compounds

• the development of new synthetic organic methodologies based on asymmetric catalysis

• applications of our proprietary methodologies for the preparation of industrially relevant molecules

• conformational preferences of anion receptors and transporters

• natural products• structure and conformational equilibria of

metabolites in solution and in solid state • the determination of side products and

degradation products in pharmaceuticals• the structural characterization of phosphate

based porous materials and structural changes in the process of hydrothermal synthesis of zeolites

• characterization of heat and electricity storage materials

• the structure and purity of polymers byproducts of polymerization, mechanisms

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VODJA/HEADprof. dr. Janez plavec

lastnosti polimerov z načrtovano makromolekularno strukturo

• določanje kakovosti in geografskega porekla slovenskih vin

GLAVNI DOSEŽKI V LETU 2015 Sprememba smeri zaporedja iz 5’→3’ v 3’→5’ vpliva na zvijanje in polimorfno naravo z gvanini bogatega oligonukleotida iz genoma človeškega papilomavirusa tip 52. Sintetični analog tvori G-kvadruplekse z manjšo termično stabilnostjo in ainiteto do kationov kot oligonukleotid z biološko pomembnim zaporedjem. Človeški papilomavirusi so škodljivi človeški patogeni, ki okužijo sluznice in kožo, pri čemer lahko dolgotrajna okužba z določenimi tipi virusov vodi v rakavo obolenje. najbolj znana je povezava med HPV in rakom materničnega vratu, zaradi katerega vsako leto zboli pol

of polymerization and properties of polymers with designed macromolecular structure

• determination of the authenticity, quality and origin of Slovenian wines

iMpoRTanT aCHiEvEMEnTS in 2015We have investigated the efect of sequence inversion from 5’→3’ to 3’→5’ on the folding of G-rich oligonucleotide found in the genome of the human papillomavirus (HPV) type 52, employing techniques of NMR, CD and UV spectroscopy. Human papillomaviruses are devastating human pathogens that infect the skin and mucose membranes. Long-lasting infection with Hpv can lead to the occurrence of various cancers. The connection between Hpv and cervical cancer is particularly well-studied, with incidence of half a million cases of cervical


miljona žensk. V okviru preučevanja zvijanja z gvanini bogatih zaporedij iz genomov Hpv v G-kvadruplekse smo skušali odgovoriti na vprašanje, kako spremenjena smer zaporedja vpliva na zvijanje oligonukleotidov. Rezultati te študije so bili objavljeni v reviji angew. Chem. Int. Ed. (2015, 54(40), 11716–11719. doi: 10.1002/anie.201505348).

Povečano število heksanukleotidnih ponovitev G4C2 v prvem intronu gena c9orf72 je najpogostejši genetski vzrok za nastanek družinske amiotrofne lateralne skleroze (ALS) in frontotemporalne demence (FTD). visoka vsebnost gvaninov in citozinov v obeh verigah omogoča nastanek nekanoninčnih struktur DNA, ki bi lahko vplivale na razvoj in potek ALS in FTD. Z uporabo nMR in komplementarnih spektroskopsih metod smo nedavno pokazali, da smerna, z gvanini bogata veriga d(G4C2)n v odvisnosti od števila ponovitev tvori različne vrste G-kvadrupleksov. V najnovejši raziskavi pa smo pokazali, da protismerne, s citozini bogate ponovitve d(G4C2)n tvorijo protonirane lasnice in strukture imenovane i-motivi. Tovrstne strukture se ohranijo tudi ob dodatku komplementarne verige in pod biološko relevantnimi pogoji. Rezultati študije so objavljeni v reviji Scientiic reports (2015, article number: 17944. doi: 10.1038/srep17944).

cancer annually. in the context of our research on the folding of G-rich oligonucleotides from HPV genomes, we have initiated a study to explore the impact of sequence inversion on the folding of G-rich oligonucleotides. The results are published in the journal angew. Chem. int. Ed. (2015, 54(40), 11716-11719. doi: 10.1002/anie.201505348).

The G4C2 hexanucleotide repeat expansion (HRE), located in the irst intron of the c9orf72 gene, is a common genetic feature in patients sufering from amyotrophic lateral sclerosis (aLS) and frontotemporal lobar degeneration (FTD). High GC content of both strands in HRE enables the formation of several non B-DNA structures potentially afecting ALS and FTD development. Utilizing nMR and complementary spectroscopic methods, we have recently shown that diferent types of G-quadruplexes form on the G-rich d(G4C2)n sense strand, depending on the length of the oligonucleotides. In the current study, it was shown that the C-rich d(G4C2)n anti-sense repeats form i-motifs and protonated hairpins that persist even in the presence of a complementary strand and under conditions approaching biological relevance. The results are published in the journal Scientiic reports (2015, article number: 17944. doi: 10.1038/srep17944).

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V mehanizmu, ki vodi v razvoj ALS in FTD naj bi imele pomembno vlogo nenavadne sekundarne strukture, ki jih tvori pomnožena ponovitev GGGGCC, kot so DNA in RNA G-kvadrupleksi ter R-zanke. nova G-kvadrupleksna struktura predstavlja prvo strukturo oligonukleotida, povezanega z ALS in FTD, določeno z visoko ločljivostjo. Rezultati NMR-študije so bili objavljeni v reviji Nucleic Acids Res. (2015, 43(17), 8590-8600. doi: 10.1093/nar/gkv815).

5 NAJVEČJIH DOSEŽKOV V ZaDnJiH 5 LETiH 1. Reverzibilno pH-stikalo med dvema G-kvadrupleksoma iz človeškega telomernega zaporedja

Telomerni konci sesalcev vsebujejo heksanukleotidne ponovite TTAGGG, ki imajo pomembno vlogo v procesih staranja in pri razvoju rakastih obolenj. oligonukleotidi s temi Dna-zaporedji se lahko zvijejo v raznovrstne G-kvadruplekse glede na prisotnost različnih kationov, heterocikličnih ligandov, pogojev v okoliški raztopini in speciiko oligonukleotidnega zaporedja. pomembna potencialna vloga G-kvadrupleksov z antiparalelnim tipom topologije v obliki košare nas je spodbudila k študiji oligonukleotida d[TAGGG(TTAGGG)2TTaGG] (htel1-G23). NMR-študija je pokazala, da ta oligonukeotid v prisotnosti KCl tvori dve različni G-kvadrupleksni

The formation of unusual secondary structures within expanded GGGGCC repeat, including Dna and Rna G-quadruplexes and R-loops was proposed to drive aLS and FTD pathogenesis. The novel G-quadruplex structure represents the irst high-resolution structure of an oligonucleotide related to aLS and FTD. The results are published in Nucleic Acids Res. (2015, 43(17), 8590-8600. doi: 10.1093/nar/gkv815).

Top 5 aCHiEvEMEnTS in THE LAST 5 YEARS

1. Reversible pH Switch of Two-Quartet G-Quadruplexes Formed by Human Telomere

G-rich sequences found in the human genome include the hexanucleotide repeat TTaGGG in telomeric ends. Human telomere G-rich sequences have been shown to fold into diverse topologies in the presence of various cations, heterocyclic ligands, solution environments, and lanking sequences. A major role is suggested for G-quadruplexes with antiparallel basket-type topology. This observation stimulated our study by NMR, CD and UV spectroscopy, which focused on oligonucleotide d[TAGGG(TTAGGG)2TTaGG] (designated as htel1-G23), a truncated version of the human telomere sequence forming hybrid-1 G-quadruplex. htel1-G23 in the presence of KCl forms two distinct two G-quartet


strukturi, ki vsebujeta po dva G-kvarteta. Populaciji obeh oblik določa pH-raztopine. (De)protonacija A20 je ključnega pomena za strukturno pretvorbo htel1-G23. Reverzibilnost procesa ponuja možnosti za njegovo uporabo kot konformacijskih stikal znotraj celic, ki nadzirajo interakcije s speciičnimi ligandi in proteini. Rezultati te študije so bili objavljeni v angew. Chem. Int. Ed. 2016, 55(6), 1993-1997. doi:10.1002/anie.201507569.

2. Vpliv smeri DNA-zaporedja na zvijanje v G-kvadruplekse

Z gvanini bogata zaporedja so visoko zastopana v biološko ključnih regijah DNA. Velik in še vedno naraščajoč repertoar možnih G-kvadrupleksnih struktur, ki se razlikujejo v usmerjenosti njihovih Dna-verig in vrste zank, ki jih povezujejo, je zelo otežil napoved G-kvadrupleksne topologije. Študija vpliva usmerjenosti zaporedja kot dejavnika, ki je neločljivo povezan z zvijanjem z gvanini bogatih oligonukleotidov, je prinesla neverjetna spoznanja. Intuitivno bi pričakovali, da bo sprememba v smeri zaporedja od 5’→3’ na 3’→5’ povzročila dramatične spremembe v topologiji in/ali številu tvorjenih struktur. Temperature taljenja G-kvadrupleksov, ki jih tvorijo oligonukleotidi z zaporedji v smeri 5’→3’, so višje od njihovih 3’→5’-analogov. nMR-eksperimenti so pokazali, da ima sam obrat zaporedja z gvanini bogatega segmenta Dna zelo velik vpliv na polimorfno naravo tvorjenih G-kvadrupleksov in s tem na njihove morebitne iziološke vloge. Rezultati te študije so bili objavljeni v Angew. Chem. Int. Ed. 2015, 54(40), 11716-11719. doi:10.1002/anie:201505348.

3. Štiriverižno zvitje DNA s tandemskimi ponovitvami alternirajočih traktov GGG in GCG

Določili smo strukturo DNK-oligonukleotida s tandemskim zaporedjem GGGAGCG, ki se nahaja v regulatorni regiji gena PLEKHG3, ki je povezan z avtizmom. oligonukleotidno zaporedje se ne zvije v G-kvadrupleks, čeprav je bogato z gvaninskimi ostanki. namesto G-kvartetov je struktura stabilizirana s štirimi G-C baznimi pari v Watson-Crickovi geometriji, štirimi G–A baznimi pari v N7-N1 amino karbonil in šestimi G–G baznimi pari v N1-karbonil simetrični geometriji. Bazni pari G–A in G-C se nahajajo v osrednjem delu strukture. na vsaki strani strukture sta dve zanki, ki sta povezani s

antiparallel basket-type G-quadruplexes. The topology of the KDH+ form exhibits unique structural features including orientations of loops and capping base pairs and a base triple that efectively stack on a two-quartet core. its topology is distinctive from any reported human telomere G-quadruplexes with a unique protonated T18·A20+·G5 base triple. Speciic stacking interactions amongst two G-quartets, lanking base triples and base pairs in TD and KDH+ forms are relected in 10 K higher thermal stability of KDH+. populations of TD and KDH+ forms are controlled by pH. The (de)protonation of a20 is the key for the pH driven structural transformation of htel1-G23. Reversibility ofers possibilities for its utilization as a conformational switch within diferent compartments of a living cell enabling speciic ligand and protein interactions. The results of this study were published in angew. Chem. Int. Ed., 2016, 55(6), 1993-1997. doi:10.1002/anie.201507569.

2. The Efect of DNA Sequence Directionality on G-Quadruplex Folding

G-rich segments are highly populated in biologicaly crucial DNA regions. A large, still growing repertoire of possible G-quadruplex topologies difering in the orientation of their Dna strands and the types of connecting loops that a G-rich oligonucleotide can adopt has made the prediction of G-quadruplex topology very challenging. We have initiated a study to explore sequence directionality as a factor that is inherently connected to the folding of G-rich oligonucleotides. intuitively we could expect that reversing the sequence direction from a 5’-3’ to 3’-5’ would cause dramatic changes in topology and/or the number of formed structures. The melting temperatures of G-quadruplexes adopted by oligonucleotides with sequences in the 5’-3’ direction are higher than those of their 3’-5’ counterparts. an nMR study has demonstrated that a sequence reversal of the G-rich Dna segment exerts a substantial impact on the polymorphic nature of the resulting G-quadruplexes and thus their potential physiological roles. The results of this study were published in angew. Chem. int. Ed. 2015, 54(40), 11716-11719. doi:10.1002/anie:201505348.

3. A tetrahelical DNA fold adopted by tandem repeats of alternating GGG and GCG tracts

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RAZISKOVALCI/RESEARCHERS:dr. Andrea Kišićdr. Baifan Wangdr. Barbara Mohardr. Damjan Makucdr. eva čehdr. Gregor ilcdr. Marina Juribašić Kulcsardr. Marko trajkovski (delno/partly)dr. Martina Lenarčič Živkovićdr. Mirko Cevecdr. peter podbevšek (delno/partly)dr. petra Galerdr. primož Šketdr. Slavko Rast

DOKTORSKI ŠTUDENTI/PhD STUDENTS:Andrej emanuel CotmanAnita KotarGašper poklukarJasna BrčićMaja Marušičurška SlapšakVojč Kocman

STROKOVNI SODELAVCI IN TEHNIČNOOSEBJE/TECHNICAL STAFF:Blaž Zupančičeva JeretinMiha Friedrichpetra Jaksetičuroš Javornik

tremi G–G baznimi pari. Dva adeninska ostanka, ki nista stabilizirana z vodikovimi vezmi, se orientirata proti notranjosti strukture in sta tesno zapakirana s tremi G–G baznimi pari in dvema G–A. Ker struktura ni stabilizirana z G-kvarteti, se zvije v končno strukturo že v prisotnosti ionov Li+. isto zvitje smo opazili v prisotnosti ionov na+, K+ in NH4

+. Rezultati te študije so bili objavljeni v Nat. Commun. 2014, 5:5831. doi:10.1038/ncomms6831.

We have determined a structure of a Dna oligonucleotide containing GGGaGCG repeats found in the regulatory region of the pLEKHG3 gene, which is connected to autism. Even though the oligonucleotide is rich in guanine residues, it does not fold into a G-quadruplex. Instead of G-quartets, the fold is stabilized by four G-C base pairs in Watson-Crick geometry, four G–A base pairs in N7-N1 amino carbonyl and six G–G base pairs in N1-carbonyl


4. Nova pot za zvijanje G-kvadrupleksov DNA

Z uporabo NMR, nativne gelske elektroforeze, TDS, CD-spektroskopije in DSC-kalorimetrije smo okarakterizirali nov intermediat pri zvijanju 1,5 ponovitve telomernega zaporedja oxytricha nova (oxy-1.5) G-kvadrupleksa v vodni raztopini. NMR-poskusi so pokazali, da intermediat i-oxy-1.5 obstaja v dveh simetričnih bimolekularnih oblikah, v katerih so vse gvaninske baze vključene v simetrične GG N1-karbonil bazne pare. Kinetična analiza strukturnih prehodov, induciranih s kalijevimi ioni je pokazala, da poteka zvijanje Oxy-1.5 G-kvadrupleksa iz i-oxy-1.5 veliko hitreje in z manj intermediati kot zvijanje iz enojnih verig. Ta študija ponuja dokaze, da se z gvanini bogata zaporedja Dna lahko predorganizirajo v strukture, ki so nagnjene k zvitju v G-kvadrupleks ob interakciji s kationi, kot so kalijevi ioni. Rezultati te študije so bili objavljeni v Angew. Chem. Int. Ed. 2014, 53(19), 4881-4884. doi:10.1002/anie.201400531.

5. Določitev edinstvenih prostorskih struktur izmenjujočih monomernih in dimernih G-kvadrupleksov iz introna gena N-myc

Z uporabo večdimenzionalne NMR-spektroskopije smo pokazali, da z gvanini bogat DNK oligonukleotid, ki izvira iz gena N-myc, tvori G-kvadruplekse v prisotnosti kalijevih, amonijevih in natrijevih ionov. Enomolekularni G-kvadrupleks, ki se tvori v prisotnosti kalijevih ionov ima tri G-kvartete in tri leksibilne propelerske zanke. Prostorska struktura s tremi zankami, pri čemer je vsaka zanka sestavljena iz le enega nukleotida, predstavlja manjkajoč strukturni motiv med do zdaj znanimi paralelnimi G-kvadrupleksi. Strukturne lastnosti G-kvadrupleksa in njegova obstojnost tudi pri visokih temperaturah kažejo, da bi tvorba G-kvadrupleksa znotraj prvega introna v genu N-myc lahko imela speciično biološko vlogo. pri povišanih koncentracijah kalijevih ionov in DnK-oligonukleotida se v raztopini spremeni razmerje zvrsti, in sicer se zmanjša delež enomolekularnega in poveča delež dvomolekularnega G-kvadrupleksa. V dvomolekularnem G-kvadrupleksu je šest G-kvartetov naloženih eden na drugega, vse verige pa so orientirane v isto smer. vsaka izmed štirih propelerskih zank je sestavljena iz le enega nukleotida. posebnost dimernega G-kvadrupleksa je njen osrednji del, kjer sta

symmetric geometry. The G–A and G-C base pairs form a cavity in the centre of the structure. On each side of the structure, two edgewise loops are stabilized by three G–G base pairs in N1-carbonyl symmetric geometry. Additionally, two adenine residues not bound by H-bonds are orientated within the structure and are tightly packed with three G–G base pairs and two G–A base pairs. Because the structure is not stabilized by G-quartets, it folds into the inal structure in the presence of Li+ cations alone. The fold was retained in the presence of Li+, na+, K+ and nH4

+ ions. The results of this study were published in Nat. Commun. 2014, 5:5831. doi:10.1038/ncomms6831.

4. A new pathway of DNA G-quadruplex formation

a new folding intermediate of oxytricha nova telomeric oxy-1.5 G-quadruplex was characterized in an aqueous solution using NMR spectroscopy, native gel electrophoresis, thermal diferential spectra, CD spectroscopy, and diferential scanning calorimetry. NMR experiments have revealed that intermediate i-oxy-1.5 exists in two symmetrical bimolecular forms in which all guanine bases are involved in GG n1-carbonyl symmetric base pairs. Kinetic analysis of potassium ion induced structural transitions shows that the folding of oxy-1.5 G-quadruplex from i-oxy-1.5 is much faster and proceeds through fewer intermediates than folding from single strands. This study provides evidence that G-rich Dna sequences can self-assemble into speciic preorganized Dna structures that are predisposed to fold into a G-quadruplex when interacting with cations such as potassium ions. The results of this study were published in Angew. Chem. Int. Ed. 2014, 53(19), 4881-4884. doi:10.1002/anie.201400531.

5. Unique structural features of interconverting monomeric and dimeric G-quadruplexes adopted by a sequence from the intron of the N-myc gene

a multidimensional heteronuclear nMR study has demonstrated that a guanine-rich Dna oligonucleotide originating from the n-myc gene folds into G-quadruplex structures in the presence of potassium, amonium and sodium ions. a monomeric G-quadruplex formed in a potassium ion containing solution exhibits three G-quartets and lexible propeller-type loops. The 3D structure with three single nucleotide loops

129

tretji in četrti G-kvartet povezana z dvema adeninskima preostankoma obrnjenima stran od strukture na način, ki omogoča zaporedno nalaganje šestih G-kvartetov. Rezultati študije so bili objavljeni v J. Am. Chem. Soc. 2012, 134(9), 4132-4141. doi:10.1021/ja208483v.

represents a missing element in structures of parallel G-quadruplexes. The structural features together with the high temperature stability suggest a speciic biological role of G-quadruplex formation within the intron of the n-myc gene. an increase in potassium ion and oligonucleotide concentrations resulted in the transformation of the monomeric G-quadruplex into a dimeric form. The dimeric G-quadruplex exhibits six stacked G-quartets, parallel strand orientations and propeller-type loops. a link between the third and the fourth G-quartets consists of two adenine residues that are lipped to facilitate the consecutive stacking of six G-quartets. The results of this study were published in J. Am. Chem. Soc. 2012, 134(9), 4132-4141. doi:10.1021/ja208483v.

5 NAJBOLJŠIH ČLANKOV V ZNANSTVENIH REVIJAH V ZADNJIH 5 LETIH / THE 5 BEST ARTICLES IN SCIENTIFIC PUBLICATIONS IN THE LAST 5 YEARS1. GALER, Petra, WANG, Baifan, ŠKET, Primož, PLAVEC, Janez. Reversible pH Switch of Two-Quartet

G-Quadruplexes Formed by Human Telomere. Angew. Chem. Int. Ed. 2016, 55(6), 1993-1997. http://onlinelibrary.wiley.com/doi/10.1002/anie.201507569/full, doi: 10.1002/anie.201507569. [COBISS.SI-ID 5864474]

2. MARUŠIČ, Maja, PLAVEC, Janez. The efect of DNA sequence directionality on G-quadruplex folding. Angewandte Chemie, ISSN 1433-7851. [Print ed.], Sep. 2015, vol. 54, iss. 40, str. 11716–11719. http://onlinelibrary.wiley.com/doi/10.1002/anie.201505348/epdf, doi: 10.1002/anie.201505348. [COBISS.SI-ID 5780506]

3. ČERU, Slavko, ŠKET, Primož, PRISLAN, Iztok, LAH, Jurij, PLAVEC, Janez. A new pathway of DNA G-quadruplex formation. Angewandte Chemie, ISSN 1433-7851. [Print ed.], 2014, vol. 53, issue 19, str. 4881–4884, ilustr. http://onlinelibrary.wiley.com/doi/10.1002/anie.201400531/pdf, doi: 10.1002/anie.201400531. [COBISS.SI-ID 1701423]

4. KOCMAN, Vojč, PLAVEC, Janez. A tetrahelical DNA fold adopted by tandem repeats of alternating GGG and GCG tracts. Nature communications, ISSN 2041-1723, Dec. 2014, vol. 5, str. 1–11, 5831, ilustr. http://www.nature.com/ncomms/2014/141215/ncomms6831/pdf/ncomms6831.pdf, doi: 10.1038/ncomms6831. [COBISS.SI-ID 5625626]

5. TRAJKOVSKI, Marko, WEBBA DA SILVA, Mateus, PLAVEC, Janez. Unique structural features of interconverting monomeric and dimeric G-quadruplexes adopted by a sequence from the intron of the N-myc gene. Journal of the American Chemical Society, ISSN 0002-7863, 2012, vol. 134, iss. 9, str. 4132–4141. http://pubs.acs.org/doi/abs/10.1021/ja208483v. [COBISS.SI-ID 4920602]




1 strokovni članek professional Article

1 poljudni članek popular Article









1 patent patent

6 predavanj na tujih univerzah invited Lectures at Foreign Universities

2 prispevka na konferencah brez natisa Unpublished Conference Contributions

2 vabljeni predavanji na konferencah brez natisa Unpublished invited Conference Lectures


1 diploma Undergraduate thesis



131

Boro-nitridni sodobni keramični materialBoron nitride advanced ceramic material


l16Center for validation Technologies and analytics

(CvTa) Center za validacijske tehnologije

in analitiko

Edina stalnica je nenehno spreminjanje. – Heraklit

Misija CVTA: standard dobre

proizvodne prakse (kemijske analize, razvoj in raziskave, validacije in kvaliikacije analiznih postopkov) Vizija CVTA: postati zunanji partner

evropskim farmacevtskim podjetjem

Vrednote CVTA: usmerjenost k stranki, kvaliteta, odzivnost in zanesljivost

GLavnE DEJavnoSTi LaboRaToRiJa • optimizacija in razvoj analitskih metod• validacija, kvaliikacija in prenos analitskih

metod• kvalitativne in kvantitativne cGMp-analize

izdelkov z validiranimi analitskimi postopki v cGMP-okolju in izdajanje certiikatov ustreznosti

• testi raztapljanja• študije pospešene stabilnosti• analizne tehnike: UV-VIS, luorescentna

spektrofotometrija, TLC, HPLC, UHPLC, IC, GC-FID/MS, ICP/MS, ICP/OES, He-piknometrija, KF, mokra kemija (izguba pri sušenju, suha snov, gostota, sulfatni pepel, vsebnost SiO2)

the only CONSTANT is a constant CHALLANGE, Heraclitus, Andrenšek

CVTA’s Mission: cGMP (chemical

analytical testing, R&D, validations & qualiications of analytical procedures)CVTA’s Vision: to become an

outsourcing partner for European pharmaceutical companies

CVTA’s Values: orientation to the

customer, quality, responsibility and reliability

TopiC aREaS • analytical research and development of

analytical procedures• validation, qualiication and transfer of

analytical procedures• cGMp release analytics• qualitative and quantitative analytical testing

of commercial products/goods with validated analytical procedures in a cGMp environment and issuing certiicates of analysis and compliance.

• force degradation studies• dissolution testing• analytical techniques: UV-VIS, Fluorescent

spectrophotometry, TLC, HPLC, UHPLC, IC, GC–FID/MS, ICP/MS, ICP/OES, He-picnometry, KF, wet chemistry (loss on drying, dry residue, density, sulphate ash, SiO2 assay)

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VODJA/HEADdr. Samo andrenšek

GLAVNI DOSEŽKI V LETU 2015 CVTA je v letu 2015 s soinanciranjem EU (Evropski sklad za regionalni razvoj) uspel tektonski premik z obnovo prostorov celotnega vzhodnega krila v drugem nadstropju stare stavbe Ki. To krilo je prej uporabljala FKKT za vaje in je bilo od gradnje Ki pa do danes brez vidnejših investicij v infrastrukturo. Z obnovo smo omogočili širitev oddelka z okoli 140 na okoli 450 m2. poleg tega je CvTa v letu 2015 z lastnimi sredstvi končal tudi gradnjo sodobnega ognjevarnega GMP-arhiva (s 450 tekočimi metri polic) za potrebe oddelka in naročnikov v prostorih preglovega raziskovalnega centra. vrednost celotne investicije v letu 2015 je bila skoraj 1,9 milijona evrov.

iMpoRTanT aCHiEvEMEnTS in 2015

In the year 2015, with the European fund for regional development, CVTA succeeded in performing a “tectonic shift” with the total reconstruction of the whole premises of the east wing on the second loor of the old (national institute of Chemistry) building. These premises had been unused since the faculty for chemistry and chemical technology (University of Ljubljana) moved to a new location. With the renovation we have enabled the expansion of CvTa premises from about 140 to about 450 m2. In addition, with its own resources, CVTA also completed the construction of a modern GMp ireproof archive (450 meters of shelfs) in the

Začetek obnove.Restoration started.

Obnova končana.Restoration inished.


S to investicijo smo poleg popolnoma novih prostorov in laboratorijev pridobili tudi novo opremo, ki omogoča vzdrževanje ustreznih klimatskih pogojev v laboratorijih in pisarnah, novo laboratorijsko in pisarniško pohištvo, 10 digestorijev, omare z odsesovanjem, opremo za delo s substancami občutljivimi na svetlobo, prostore za sprejem, shranjevanje in obdelavo vzorcev, tehtalni prostor s komoro za delo z nevarnimi kemikalijami, pralnico steklenega laboratorijskega inventarja, prostor za skladiščenje kemikalij, prehodni arhiv z javljalnikom požara in plinskim gašenjem, tri pisarne in študijsko sobo ter laboratorije za plinsko kromatograijo, tekočinsko kromatograijo, tenkoplastno kromatograijo in laboratorij za teste raztapljanja, ognjevaren prostor s plinskim gašenjem za računalniško mrežo in serverje za zagotavljanje integritete podatkov CvTa ter prostor za arhiviranje papirne dokumentacije. poleg opreme smo pridobili nekaj laboratorijskih instrumentov, in sicer HpLC- in GC-MS-kromatograf ter dve napravi za teste proilov raztapljanja z avtomatskim vzorčevalnikom.

investicija pomeni izboljšanje kakovosti dela in delovnega okolja, varnosti zaposlenih in potencial za širitev dejavnosti ter uvajanje novih tržno zanimivih analitskih platform/tehnik.poleg tega je CvTa sprostil v uporabo 140 m2 prostorov, ki jih je zasedal prej, drugim laboratorijem.

premises of the pregl research centre for the needs of the department and our customers. The value of the total investment in 2015 amounted to almost 1.9 million euros.

With this investment, in addition to brand new premises and laboratories, we also acquired new equipment for appropriate climatic conditions in laboratories and oices. Next to premises, we obtained new laboratory and oice furniture, ten digestories, cabinets with suction systems, accessories for working with photosensitive substances, laboratories for processing and storing samples and chemical standards, a weighing room with a laminar low chamber for working with biohazardous and cytostatic chemicals, glass inventory washing room, a room for storing chemicals and waste chemicals, transitive ireproof archive with ire detector and automatic gas extinguisher, three oices and study room, laboratories for liquid chromatography, gas chromatography, thin layer chromatography, a laboratory for dissolution testing and a ire proof room for computer network servers. in addition to new equipment, CVTA gained some new instruments: a new HPLC and new GC-MS chromatograph, two pieces of instruments for dissolution testing with an autosampler.

The investment enabled other laboratories to use released 140 m2 of old premises, higher quality and safety of work and the working environment for the employees, better data integrity and the potential for the expansion of activities and introducing new analytical platforms.

Odprtje novih prostorov.

The opening of the new premises.

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RAZISKOVALCI/RESEARCHERS:dr. Alenka Golc Wondradr. Franc Švegldr. Maja Gričar

STROKOVNI SODELAVCI INTEHNIČNO OSEBJE/TECHNICALSTAFF:Ana AndrićJan Štos

Barbara Lečnik SpaićDarija lorberKatarina JankovičKatja rožmanc Babniklara KobalMaja ogrinMateja MatjažSimona lojevec Hartl

5 NAJVEČJIH DOSEŽKOV V ZaDnJiH 5 LETiH2011 – cetriikat JAZMP 2014 – certiikat JAZMP 2015 – registracija analitskega laboratorija pri FDa

2015 – 1,8 milijona evrov vredna obnova stare stavbe in selitev v nove laboratorije

Top 5 aCHiEvEMEnTS in THE LAST 5 YEARS 2011 – JAZMP certiicate 2014 – JAZMP certiicate2015 – GDUFA self-identiication of CVTA as analytical testing laboratory at FDa

2015 – 1.8 million Euros investment for the restoration of an old building and the move of CvTa to the new laboratories.


5 NAJBOLJŠIH ČLANKOV V ZNANSTVENIH REVIJAH V ZADNJIH 5 LETIH / THE 5 BEST ARTICLES IN SCIENTIFIC PUBLICATIONS IN THE LAST 5 YEARS1. JERMAN, Tina, GOLC-WONDRA, Alenka, VRHOVŠEK, Urška, MOZETIČ VODOPIVEC, Branka, Phenolic proiling of olives and their olive oil process-derived matrices using UPLC-DAD-ESI-QTOF-HRMS analysis. Journal of Agricultural and Food Chemistry, 2015, vol. 63, iss. 17, str. 3859–3872. [COBISS.Si-iD 3803899]

2. JERMAN, Tina, GOLC-WONDRA, Alenka, VRHOVŠEK, Urška, SIVILOTTI, Paolo, MOZETIČ VODOPIVEC, Branka. Olive fruit phenols transfer, transformation, and partition trail during laboratory-scale olive oil processing. Journal of Agricultural and Food Chemistry, 2015, vol. 63, no. 18, str. 4570–4579. [COBISS.SI-ID 3878395]


2 izvirna znanstvena članka original Scientiic Article

1 intervju interview

1 objavljeni povzetek znanstvenega prispevka na konferenci

published Scientiic Conference Contribution Abstract

137

Negorljiva polimerna pena ki se uporablja v letalskih sedežihFlame retardant polymer foam used in aircraft seats


l17Laboratory for Molecular Modeling

Laboratorij za molekularno modeliranje

Večskalno modeliranje in simulacija mehke snovi

GLavnE DEJavnoSTi LaboRaToRiJa • razvoj metod in simulacije večjih molekularnih

sistemov s prilagodljivo ločljivostjo • odprte simulacije molekulske dinamike,

ki omogočajo izvajanje ravnovesnih velekanoničnih in neravnovesnih simulacij molekulske dinamike

• sklapljanje atomistične in kontinuumske hidrodinamike za opis tekočin

• simulacije tekočinskih tokov skozi nanoobjekte in mimo njih

• razvoj statistično-mehanskega opisa luktuacij časovno povprečenih dinamičnih opazljivk zunaj ravnovesja

• analiza dinamičnih in statističnih lastnosti reaktivnih trajektorij v majhnih sistemih in na grobih potencialnih ploskvah

• razvoj eksaktnih analitičnih metod za domensko razklopitev Fokker-planckovih in Schrödingerjevih operatorjev in uporaba pri analizi Wienerjevih funkcionalov

• študij strukture in funkcije proteinov in proteinskih interakcij ter razvoj spletnega strežnika ProBiS

• raziskave novih zaviralcev encimov na protibakterijskem in protirakavem terapevtskem področju

• sodelovanje z Lekom pri projektu in silico proiliranje bioloških zdravil

Multiscale Modelling and Simulation of

Soft Matter

TopiC aREaS • the development of methods and simulations

of large molecular systems with adaptive resolution

• open molecular dynamic simulations enabling equilibrium grand canonical and nonequilibrium molecular dynamic simulations

• the coupling of atomistic and continuum descriptions of liquid hydrodynamics

• the simulation of solvent low through and by nanoobjects

• the development of statistical-mechanical descriptions of time-average dynamic observables out of equilibrium

• analysis of the dynamic and statistical properties of reactive trajectories in small systems and on rugged potential energy landscapes

• the development of exact domain-decoupling methods for Fokker-Planck and Schrödinger-type operators and their applications in the analysis of Wiener functionals

• study of the structure and function of proteins and protein interactions and the development of the probiS web server

• the discovery and development of novel enzyme inhibitors in antibacterial and anticancer therapeutic areas

• collaboration with Lek d.d on the project “in silico proiling of biological drugs”

139

VODJA/HEADprof. dr. Tomaž Šolmajer

GLAVNI DOSEŽKI V LETU 2015 • Izvedli smo simulacijo neskončne verige DNA

v solni raztopini NaCl, kjer v bližini molekule DNA topilo predstavimo na atomistični skali, daleč stran, kjer tako visoka resolucija ni potrebna, pa uporabimo bolj grobozrnati molekularni opis.

• Razvili smo metodologijo za izvajanje odprtih simulacij molekulske dinamike, kjer sistem izmenjuje maso in energijo z okolico. Naša metoda omogoča izvajanje neravnovesnih simulacij molekulske dinamike brez spreminjanja enačb gibanja – ves vpliv na molekularni sistem poteka prek zunanjih robov simulacijske škatle kot v eksperimentalnih situacijah.

• Natančnost molekularne signalizacije v bioloških celicah in modernih diagnostičnih napravah je omejena s tako imenovanim preštevalnim šumom, ki je posledica termične difuzije signalnih molekul. Motivirani z dejstvom, da se molekule mRNA ter signalizacijski vezikli prehodno vežejo na molekularne motorje in se tako aktivno transportirajo znotraj celice, z analitičnimi izračuni pokažemo, da naključna aktivna dostava signalnih delcev znotraj tipične difuzijske razdalje do receptorja generično zmanjša korelacijski čas šuma. Upoštevamo širok nabor velikosti signalnih delcev od mRna do veziklov ter velikosti celic od prokariotskih do evkariotskih in pokažemo, da so teoretični pogoji za pojav aktivnega fokusiranja, tj. hitrejše in bolj natančne signalizacije, kompatibilni z opažanji v živih celicah. omenjeni rezultati poglabljajo naše

iMpoRTanT aCHiEvEMEnTS in 2015 • We performed adaptive resolution simulation

of a Dna molecule in a naCl salt solution in which the solvent close to the Dna molecule is represented on an atomic scale while a coarse grain description is used at distances where high resolution is not needed.

• We have developed an open boundary molecular dynamics approach in which the mass and energy of the system are exchanged with the environment. our method enables nonequilibrium molecular dynamic simulations without the modiication of the equation of motion – the inluence across the boundary of the simulation box is obtained as in the experimental situation

• The accuracy of molecular signalling in biological cells and novel diagnostic devices is ultimately limited by the counting noise loor imposed by thermal difusion. Motivated by the fact that messenger Rna and vesicle-engulfed signalling molecules transiently bind to molecular motors and are actively transported in biological cells, we show by means of analytical results that the random active delivery of signalling particles to within a typical difusion distance of the receptor generically reduces the correlation time of the counting noise. Considering a variety of signalling particle sizes from mRna to vesicles and cell sizes from prokaryotic to eukaryotic cells, we show that the conditions for active focusing—faster and more precise signalling—are indeed compatible with observations


razumevanje celične signalizacije in delovanja modernih diagnostičnih naprav.

• Razvili smo spletni strežnik ProBiS-CHARMMing na http://probis.cmm.ki.si in http://probis.nih.gov (J. Chem. Inf. Model., 2015, 55, 2308-2314) v sodelovanju z dr. bernardom R. brooksom z national institutes of Health, ki omogoča napoved ligandov, sposobnih vezave na proteinske strukture, optimizacijo njihove strukture ter izračun vezavne energije. Razvili smo program LiSiCa za virtualno rešetanje na osnovi liganda (J. Chem. Inf. Model., 2015, 55, 1521-1528) in z njim odkrili ter eksperimentalno potrdili nove inhibitorje butirilholinesteraze – proteinske tarče za razvoj zdravil za Alzheimerjevo bolezen. Objavili smo tudi pregledni članek (J. Cheminform., 2015, 7:48), v katerem smo opisali nekaj najaktualnejših metod molekularnega modeliranja za razvoj zdravil.

• Za racionalno načrtovanje novih zaviralcev Dna-giraze b in Dna-topoizomeraze iia kot

in living cells. our results improve the understanding of molecular cellular signalling and novel diagnostic devices.

• We developed the probiS-CHaRMMing web server available at http://probis.cmm.ki.si and http://probis.nih.gov (J. Chem. Inf. Model., 2015, 55, 2308-2314), in collaboration with dr. bernard R. brooks from the national institutes of Health, which allows the prediction of ligands capable of binding to the protein structure, their structure optimization, and interaction energy calculation. We developed the program LiSiCa for ligand-based virtual screening (J. Chem. Inf. Model., 2015, 55, 1521-1528), and with it discovered and experimentally conirmed new inhibitors of butyrylcholinesterase – a protein target for the development of anti-alzheimer drugs. We also published a review article (J. Cheminform., 2015, 7:48), in which we described the latest and most promising molecular modelling methods with an impact on drug discovery.

Spletni strežnik ProBiS-CHARMMing. Levo: bakterijski protein InhA (zelenomoder) z napovedanimi ligandi (rdeče, modre in zelene palčke) v vezavnem mestu (oranžne palčke). Izračunana interakcijska energija liganda triklosana z InhA je v oknu Minimization (levo zgoraj). Desno: seznam vseh napovedanih ligandov za protein InhA.

ProBiS-CHARMMing web server. Left: bacterial protein InhA (cyan) with predicted ligands (red, blue and green stick models) in the binding site (orange sticks). The calculated interaction energy of the triclosan ligand with InhA is in the “Minimization” window (top left). Right: list of all the predicted ligands for protein InhA.

141

potencialnih protimikrobnih in protirakavih učinkovin smo uporabili strukturno podprto metodologijo. S tem pristopom smo odkrili nov razred 4-amino-6-(fenilamino) triazinskih zaviralcev Dna-topoizomeraze iia in nove aTp-kompetitivne zaviralce Dna-giraze b iz razreda 4,5-dibromopirolamidov, indolamidov in 4,5,6,7-tetrahidrobenzo[1,2-d]tiazolov.

• The rational drug discovery of novel enzyme inhibitors of Dna gyrase b and Dna topoisomerase iia as potential antimicrobial and anticancer agents, respectively, was performed using a structure-based design approach. This methodology has led us to a new class of 4-amino-6-(phenylamino) triazine inhibitors of Dna topoisomerase iia and novel inhibitors of Dna gyrase b from the class of 4,5-dibromopyrrolamides, indolamides and 4,5,6,7-tetrahydrobenzo[1,2-d]thiazoles as ATP competitive Dna gyrase b inhibitors.

RAZISKOVALCI/RESEARCHERS:dr. Aljaž Godecdoc. dr. Janez Konc / assist. prof.prof. dr. Matej praprotnik / assoc. prof.dr. Matjaž Brvardr. Milan Hodoščekdr. Staš Bevcdoc. dr. urban Bren / assist. prof.

DOKTORSKI ŠTUDENTI/PhD STUDENTS:Aleksandar popadićJulija ZavadlavJurij SablićSamo lešnik

STROKOVNI SODELAVCI IN TEHNIČNO OSEBJE/TECHNICAL STAFF:Mitja ogrizek (do/until 31. 10. 2015)


5 NAJVEČJIH DOSEŽKOV V ZaDnJiH 5 LETiH 1. izvedli smo prve simulacije biomolekularnih sistemov AdResS, kot so atomistični protein v vodi MaRTini in molekule Dna v solni raztopini. Naš večskalni model je kompatibilen s široko uporabljanim grobozrnatim poljem sil MaRTini. Zato bo naš pristop znatno razširil doseg biomolekularnih simulacij.

2. Z uporabo simulacij Monte Carlo smo pojasnili prestrukturiranje molekul vode v solvatacijskem ovoju pri porastu polarnosti molekule.

3. Z razvojem formalizma za kvantiikacijo večdelčnih korelacij ter njegovo uporabo pri analizi luktuacij znotraj solvatacijskega sloja idealnih hidrofobnih molekul smo pojasnili izikalno ozadje hidrofobnega učinka. Pokazali smo, da je padec entropije posledica porasta

5 Top 5 aCHiEvEMEnTS in THE LAST 5 YEARS

1. We have conducted the irst ever AdResS simulations of biomolecular systems, e.g., an atomistic protein in MaRTini water and a Dna molecule in salt solution. our multiscale model is compatible with the widely used MaRTini force ield and will therefore signiicantly enhance the scope of biomolecular simulations

2. On the basis of Monte Carlo simulations, we explain the structural reorganization of water within the solvation shell on increasing the solute polarity.

3. Developing a theoretical formalism enabling the quantiication of many-body correlations and applying it to the analysis of luctuations within the solvation shell of ideal hydrophobic molecules, we explain the physical origin of the

Izvedli smo večskalno simulacijo molekule DNA v solni raztopini s pomočjo metode AdResS, ki dovoljuje molekulam topila spreminjanje njihove ločljivosti iz atomistične v grobozrnato in nazaj (J. Zavadlav, R. Podgornik, M. Praprotnik, J. Chem. Theory Comput. 2015, 11, 5035–5044).

We present a multiscale simulation of a DNA molecule in a salt solution, employing the adaptive resolution simulation approach that allows the solvent molecules, i.e. water and ions, to change their resolution from atomistic to coarse-grained and vice versa adaptively on-the-ly (J. Zavadlav, R. Podgornik, M. Praprotnik, J. Chem. Theory Comput. 2015, 11, 5035-5044).

143

večdelčnih korelacij pri izmenjavi vodikovih vezi v solvatacijski vodi.

4. Razvoj spletnega strežnika ProBiS in ProBiS-ligands (http://probis.cmm.ki.si) za napovedovanje proteinskih vezavnih mest in ligandov proteinov na osnovi ugotovljenih podobnosti vezavnih mest.

5. S strukturno podprtim načrtovanjem novih protimikrobnih in protirakavih učinkovin smo odkrili več novih razredov ATP-kompetitivnih zaviralcev Dna-giraze b in Dna-topoizomeraze iia.

hydrophobic efect. We show that entropy loss is due to emerging many-body correlations in the exchange of hydrogen bonds in solvation water.

4. We developed ProBiS and ProBiS-ligands: (http://probis.cmm.ki.si) a web server for predicting protein binding sites and ligands of proteins by examining the similarity of protein binding sites.

5. a structure-based design approach was used for rational drug discovery of novel potential antimicrobial and anticancer agents. Several classes of novel aTp competitive inhibitors of Dna gyrase b and Dna topoisomerase iia were discovered.

5 NAJBOLJŠIH ČLANKOV V ZNANSTVENIH REVIJAH V ZADNJIH 5 LETIH / THE 5 BEST ARTICLES IN SCIENTIFIC PUBLICATIONS IN THE LAST 5 YEARS1. A. Popadić, J. H. Walther, P. Koumoutsakos, M. Praprotnik Continuum simulations of water low in carbon nanotube membranes New J. Phys. 2014, 16, 082001. Selected for the NJP Highlights of 2014

2. A. Godec, J. C. Smith, F, Merzel, Increase of both Order and Disorder in the First Hydration Shell with Increasing Solute Polarity, Phys. Rev. Lett. 2011, 107, 267801

3. A. Godec, F. Merzel, Physical Origin Underlying the Entropy Loss upon Hydrophobic Hydration, J. Am. Chem. Soc. 2012, 134, 17574

4. J. Konc, D. Janežič. ProBiS-ligands: a web server for prediction of ligands by examination of protein binding sites. Nucleic Acids Res., 2014, 42, W215-W220

5. M. Brvar, A. Perdih, M. Renko, G. Anderluh, D. Turk, T. Solmajer. Structure based discovery of substituted 4,5’-bithiazoles as novel DNA gyrase inhibitors. J Med Chem. 2012; 55, 6413-26

Strukturno podprto načrtovanje novih zaviralcev DNA-giraze B (M. Brvar et al. J. Med.Chem. 2012, 55, 6413–26).

The structure-based discovery of novel DNA gyrase B inhibitors (M. Brvar et al. J. Med. Chem. 2012, 55, 6413-26





1 kratki znanstveni prispevek Short Scientiic Article

1 predgovor, spremna beseda preface, Afterword

8 drugih učnih gradiv other educational Materials


1 objavljeni povzetek znanstvenega prispevka na konferenci (vabljeno predavanje)

published Scientiic Conference Contribution Abstract (invited Lecture)



5 prispevkov na konferencah brez natisa Unpublished Conference Contributions

3 diplome Undergraduate theses



1 uredništvo revije Journal editorships

145



Bibliograija / Bibliography

L 01Laboratorij za računalniške bioznanostiin bioinformatikoLaboratory for Biocomputingand Bioinformatics

V celoti objavljeni članki (znanstveni) / Full Text Articles

1. POGORELČNIK, Barbara, JANEŽIČ, Matej, SOSIČ, Izidor, GOBEC, Stanislav, ŠOLMAJER,

Tomaž, PERDIH, Andrej, “4,6- substituted-1,3,5-triazin-2(1H)-ones as monocyclic catalytic inhibitors of human DNA topoisomerase IIα targeting the ATP binding site”, Bioorganic & Medicinal Chemistry, 2015, vol. 23, iss. 15, str. 4218-4229. [COBISS.SI-ID 3886961]

2. AL-ASRI, Jamil, FAZEKAS, Erika, LEHOCZKI, Gábor, PERDIH, Andrej, GÖRICK, Cornelia,

MELZIG, Matthias F., GYÉMÁNT, Gyöngyi, WOLBER, Gerhard, MORTIER, Jérémie, “From carbohydrates to drug-like fragments: rational development of novel α-amylase inhibitors”, Bioorganic & Medicinal Chemistry, 2015, vol. 23, iss. 20, str. 6725-6732. [COBISS.SI-ID 5763354]

3. KLOPČIČ, Ivana, POBERŽNIK, Matic, MAVRI, Janez, SOLLNER DOLENC, Marija, “A quantum

chemical study of the reactivity of acetaminophen (paracetamol) toxic metabolite n-acetyl-p-benzoquinone imine with deoxyguanosine and glutathione”, Chemico-Biological Interactions, 2015, vol. 242, str. 407-414. [COBISS.SI-ID 3977585]

4. BOLDYREVA, Elena V., ARKHIPOV, Sergey G., DREBUSHCHAK, Tatiana N., DREBUSHCHAK,

Valeri A., LOSEV, Evgeniy A., MATVIENKO, Alexander A., MINKOV, Vasily S., RYCHKOV, D. A., SERYOTKIN, Yurii V., STARE, Jernej, ZAKHAROV, Boris A, “Isoenergetic polymorphism: the puzzle of tolazamide as a case study”, Chemistry, 2015, vol. 21, iss. 43, str. 15395-15404. [COBISS.SI-ID 5775642]

5. POGORELČNIK, Barbara, BRVAR, Matjaž, ŽEGURA, Bojana, FILIPIČ, Metka, ŠOLMAJER,

Tomaž, PERDIH, Andrej, “Discovery of mono- and disubstituted 1H-pyrazolo[3,4]pyrimidines and 9H-purines as catalytic inhibitors of human Dna topoisomerase IIα”, ChemMedChem, 2015, vol. 10, iss. 2, str. 345-359. [COBISS.SI-ID 5618714]

6. PLOŠNIK, Alja, VRAČKO, Marjan, MAVRI, Janez, “Computational study of binding ainity to

nuclear receptors for some cosmetic ingredients”, Chemosphere, 2015, vol. 135, str. 325-334. [COBISS.Si-iD 5693466]

7. PERDIH, Andrej, HRAST, Martina, PUREBER, Kaja, BARRETEAU, Hélène, GOLIČ

GRDADOLNIK, Simona, KOCJAN, Darko, GOBEC, Stanislav, ŠOLMAJER, Tomaž, WOLBER, Gerhard, “Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC-MurF): experimental and computational characterization”, Journal of Computer-Aided Molecular Design, 2015, vol. 29, iss. 6, str. 541-560. [COBISS.SI-ID 5677082]

8. MARTINČIČ, Rok, MRAVLJAK, Janez, ŠVAJGER, Urban, PERDIH, Andrej, ANDERLUH, Marko,

NOVIČ, Marjana, “In silico discovery of novel potent antioxidants on the basis of pulvinic acid and coumarine derivatives and their experimental evaluation”, PloS one, 2015, vol. 10, no. 10, str. 1-27. [COBISS.SI-ID 3958129]

9. POGORELČNIK, Barbara, JANEŽIČ, Matej, PERDIH, Andrej, “Zaviralci DNA topoizomeraze

IIα - pomembne tarče protirakavih učinkovin” (“Inhibitors of DNA topoisomerase IIα - an important target of anticancer therapy”), Farmacevtski vestnik, 2015, letn. 66, št. 4, str. 326-333. [COBISS.SI-ID 5768474]

10. MOLČANOV, Krešimir, STARE, Jernej, KOJIĆ-PRODIĆ, Biserka, LECOMTE, Claude,

DAHAOUI, Slimane, JELSCH, Christian, WENGER, Emmanuel, ŠANTIĆ, Ana, ZARYCHTA, Bartosz. “A polar/∏ model of interactions explains face-to-face stacked quinoid rings: a case study of the crystal of potassium hydrogen chloranilate dihydrate”, CrystEngComm, 2015, vol. 17, iss. 45, str. 8645-8656. [COBISS.SI-ID 5887770]

147

Doktorati, magisteriji, diplome / Ph.D., M.Sc. and B.Sc. Theses

11. POGORELČNIK, Barbara, Strukturno podprto načrtovanje novih zaviralcev človeške

DNA topoizomeraze IIα (Structure-based design of novel human DNA topoisomerase IIα), doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 279351040]

Uredništva / Editorships

12. Acta Chimica Slovenica, MAVRI, Janez (član uredniškega odbora 2005-), Ljubljana,

Slovensko kemijsko društvo (Slovenian Chemical Society), 1993-, ISSN 1318-0207. [COBISS.SI-ID 14086149]

Mentorstva / Mentorship

13. POGORELČNIK, Barbara, ŠOLMAJER, Tomaž (mentor), PERDIH, Andrej (somentor),

Strukturno podprto načrtovanje novih zaviralcev človeške DNA topoizomeraze IIα (Structure-based design of novel human DNA topoisomerase IIα), doktorska disertacija, Ljubljana, 2015. [COBISS.Si-iD 279351040]

L 03Laboratorij za kemometrijoLaboratory of Chemometrics


1. RANDIĆ, Milan, “On the history of the connectivity index: from the connectivity index

to the exact solution of the protein alignment problem”, SAR and QSAR in Environmental Research, 2015, vol. 26, iss. 7/9, str. 523-555. [COBISS.SI-ID 5849114]

2. VRAČKO, Marjan, BOBST, Sol, “Prediction of mutagenicity and carcinogenicity using in

silico modelling: a case study of polychlorinated biphenyls”, SAR and QSAR in Environmental Research, 2015, vol. 26, iss. 7/9, str. 667-682. [COBISS.SI-ID 5840666]

3. MARTINČIČ, Rok, KUZMANOVSKI, Igor, WAGNER, Alain, NOVIČ, Marjana,

“Development of models for prediction of the antioxidant activity of derivatives of natural compounds”, Analytica Chimica Acta, 2015, vol. 868, str. 23-35. [COBISS.SI-ID 5662490]

4. FJODOROVA, Natalja Stanislavovna, NOVIČ, Marjana, “Searching for optimal setting

conditions in technological processes using parametric estimation models and neural network mapping approach: a tutorial”, Analytica Chimica Acta, 2015, vol. 891, str. 90-100. [COBISS.SI-ID 5795610]

5. BARIGYE, Stephen J., MARRERO-PONCE, Yovani, ZUPAN, Jure, PÉREZ-GIMÉNEZ,

Facundo, FREITAS, Matheus P., “Structural and physicochemical interpretation of GT-STaF information theory-based indices”, Bulletin of the Chemical Society of Japan, 2015, vol. 88, no. 1, str. 97-109. [COBISS.SI-ID 5650714]

6. FOLGUERA, Laura, ZUPAN, Jure, CICERONE, Daniel, MAGALLANES, Jorge F., “Self-organizing

maps for imputation of missing data in incomplete data matrices”, Chemometrics and Intelligent Laboratory Systems, 2015, vol. 143, str. 146-151. [COBISS.SI-ID 5674778]

7. VRAČKO, Marjan, ZUPAN, Jure, “A non-standard view on artiicial neural networks”,

Chemometrics and Intelligent Laboratory Systems, 2015, vol. 149, pt. B, str. 140-152. [COBISS.SI-ID 5828634]

8. PLOŠNIK, Alja, ZUPAN, Jure, VRAČKO, Marjan, “Evaluation of toxic endpoints for a set of

cosmetic ingredients with CAESAR models”, Chemosphere, 2015, vol. 120, str. 492-499. [COBISS.Si-iD 5564698]

9. PLOŠNIK, Alja, VRAČKO, Marjan, MAVRI, Janez, “Computational study of binding ainity to

nuclear receptors for some cosmetic ingredients”,


Chemosphere, 2015, vol. 135, str. 325-334. [COBISS.Si-iD 5693466]

10. TUŠAR, Marjan, RAMLJAK, Iztok, AVSENIK, Lidija, “Validation of results of asphalt

compactability determined by impact compactor according to En 12697-10 and suggested new solutions for better predictions”, Construction & Building Materials, 2015, vol. 91, str. 243-250. [COBISS.SI-ID 5699098]

11. RANDIĆ, Milan, NOVIČ, Marjana, PLAVŠIĆ, Dejan, “Ring closure matrix”, Current

Organic Chemistry, 2015, vol. 19, iss. 3, str. 274-281. [COBISS.SI-ID 5849626]

12. TUŠAR, Marjan, RAVNIKAR TURK, Mojca, “Ubrzani test opterećenja pomoću

simulatora teških vozila”, Građevinar, 2015, vol. 67, br. 7, str. 647-654. [COBISS.SI-ID 5752090]

13. DJANKOVA, Tamara Jurjevna, FJODOROVA, Natalja Stanislavovna, BASKOVA, Olga,

OSTANEN, Anna, “Prognozirovanie kolorističeskih svojstv v processah otdelki vysokopročnyh termostojkih materialov iz aramidnyh volokon”, Himičeskie volokna, 2015, 4, str. 112-116. [COBISS.Si-iD 5827098]

14. ČANDEK-POTOKAR, Marjeta, PREVOLNIK POVŠE, Maja, ŠKRLEP, Martin, FONT-I-

FURNOLS, Maria, NOVIČ, Marjana, “An attempt to predict conformation and fatness in bulls by means of artiicial neural networks using weight, age and breed composition information”, Italian Journal of Animal Science, 2015, vol. 14, str. 45-52. [COBISS.SI-ID 4637800]

15. ZUPAN, Jure, “Chemical data, ways and means, past and future”, Journal of

Chemometrics, 2015, vol. 29, iss. 1, str. 1-8. [COBISS.Si-iD 5506586]

16. RANDIĆ, Milan, PISANSKI, Tomaž, “Protein alignment: Exact versus approximate. An

illustration”, Journal of Computational Chemistry, 2015, vol. 36, iss. 14, str. 1069-1074. [COBISS.SI-ID 5849370]

17. BORIŠEK, Jure, VIZOVIŠEK, Matej, SOSNOWSKI, Piotr, TURK, Boris, TURK,

Dušan, MOHAR, Barbara, NOVIČ, Marjana, “Development of n-(functionalized benzoyl)-homocycloleucyl-glycinonitriles as potent cathepsin K inhibitors”, Journal of Medicinal Chemistry, 2015, vol. 58, iss. 17, str. 6928-6937. [COBISS.SI-ID 5755162]

18. ROY CHOUDHURY, Amrita, SIKORSKA, Emilia, BOOM, Johannes van den, BAYER,

Peter, POPENDA, Łukasz, SZUTKOWSKI, Kosma, JURGA, Stefan, BONOMI, Massimiliano, ŠALI, Andrej, ZHUKOV, Igor, PASSAMONTI, Sabina, NOVIČ, Marjana, “Structural model of the

bilitranslocase transmembrane domain supported by NMR and FRET data”, PloS one, 2015, vol. 10, iss. 8, str. 1-16, e0135455. [COBISS.SI-ID 5752346]

19. MARTINČIČ, Rok, MRAVLJAK, Janez, ŠVAJGER, Urban, PERDIH, Andrej,

ANDERLUH, Marko, NOVIČ, Marjana, “In silico discovery of novel potent antioxidants on the basis of pulvinic acid and coumarine derivatives and their experimental evaluation”, PloS one, 2015, vol. 10, no. 10, str. 1-27, e0140602. [COBISS.SI-ID 3958129]

20. ROY CHOUDHURY, Amrita, NOVIČ, Marjana, “PredβTM: a novel β-transmembrane

region prediction algorithm”, PloS one, 2015, vol. 10, iss. 12, str. 1-13, e0145564. [COBISS.SI-ID 5840154]

21. MINOVSKI, Nikola, NOVIČ, Marjana, ŠOLMAJER, Tomaž, “The impact of

Mycobacterium tuberculosis gyrb point mutations on 6-luoroquinolones resistance proile: in silico mutagenesis and structure-based assessment”, RSC Advances, 2015, vol. 5, iss. 21, str. 16162-16172. [COBISS.SI-ID 5634074]

22. FJODOROVA, Natalja Stanislavovna, NOVIČ, Marjana, DIANKOVA, Tamara,

BASKOVA, Olga, “New approach for optimising the impregnations of individual batches of aramid fabrics (Nov pristop pri optimizaciji različnih serij aramidnih tkanin)”, Tekstilec, 2015, vol. 58, no. 3, str. 168-176. [COBISS.SI-ID 5795866]

23. BASAK, Subhash C., VRAČKO, Marjan, BHATTACHARJEE, Apurba K., “Big data and

new drug discovery: tackling „big data“ for virtual screening of large compound databases”, Current Computer-aided Drug Design, 2015, vol. 11, no. 3, str. 1-5. [COBISS.SI-ID 5819162]

V celoti objavljeni članki (strokovni) / Full Text Articles

24. TUŠAR, Marjan, BRENCE, Miran, “Uporaba odpadnega livarskega peska v sestavi

asfaltnih zmesi”, Mineral, 2015, letn. 7, št. 38, str. 26-28. [COBISS.SI-ID 37865221]

25. TUŠAR, Marjan, ŠLIBAR, Miha, IPAVEC, Aleksander, RAVNIKAR TURK,

Mojca, “Priprava vzorcev asfaltov z vrtljivim zgoščevalnikom”, Mineral, 2015, letn. 8, št. 42, str. 26-27. [COBISS.SI-ID 5836058]

V celoti objavljeni prispevki s konferenc / Full Text Conference Contributions

26. FJODOROVA, Natalja Stanislavovna, NOVIČ, Marjana, “Double check of optimization

results using neural network and statistical

149

methods”, V: New Developments in Pure and Applied Mathematics, Proceedings of the International Conference on Mathematical Methods, Mathematical Models and Simulation in Science and Engineering (MMSSE 2015), Proceedings of the International Conference on Pure Mathematics - Applied Mathematics (PM-AM 2015), Wienna, Austria, March 15-17, 2015, Mathematics and computers in science and engineering series, Wienna, 2015, str. 237-243. [COBISS.SI-ID 5759514]

27. ZAVRTANIK, Nataša, LJUBIČ, Aleksander, TUŠAR, Marjan, “Povezava

triosnega cikličnega testa in preizkusa nastajanja kolesnic”, V: 12. slovenski kongres o cestah in prometu (12th Slovenian Road and Transport Congress), Portorož, 22. - 23. april 2015, Referati (Proceedings), Ljubljana, DRC, Družba za raziskave v cestni in prometni stroki Slovenije, 2015, 9 str. [COBISS.SI-ID 1202270]

28. UMEK, Robert, PAVŠIČ, Primož, TUŠAR, Marjan, “Ali asfaltne plasti predstavljajo

požarno tveganje?” V: 12. slovenski kongres o cestah in prometu (12th Slovenian Road and Transport Congress), Portorož, 22. - 23. april 2015, Referati (Proceedings), Ljubljana, DRC, Družba za raziskave v cestni in prometni stroki Slovenije, 2015, str. 1-7. [COBISS.SI-ID 5700122]

29. HRIBAR, Dejan, TUŠAR, Marjan, “analiza rezultatov preskusov pri nizkih

temperaturah na asfaltnih zmeseh”, V: 12. slovenski kongres o cestah in prometu (12th Slovenian Road and Transport Congress), Portorož, 22. - 23. april 2015, Referati (Proceedings), Ljubljana, DRC, Družba za raziskave v cestni in prometni stroki Slovenije, 2015, str. 1-7. [COBISS.SI-ID 5700378]

30. BOHINC, Dušanka, IPAVEC, Aleksander, RAVNIKAR TURK, Mojca, TUŠAR, Marjan.

“Slovenske izkušnje pri določevanju parametrov duktilnosti s polimeri modiiciranih bitumnov”, V: 12. slovenski kongres o cestah in prometu (12th Slovenian Road and Transport Congress), Portorož, 22. - 23. april 2015, Referati (Proceedings), Ljubljana, DRC, Družba za raziskave v cestni in prometni stroki Slovenije, 2015, str. 1-9. [COBISS.SI-ID 5700634]

Monograije, sestavki in druga zaključena dela / Monographs, Contributions and Other Finished Works

31. SAÇAN TÜRKER, Melek, NOVIČ, Marjana, ERTÜRK, Doga, MINOVSKI, Nikola, “Marine

algal toxicity models with Dunaliella tertiolecta: in vivo and in silico”, V: BASAK, Subhash C. (ur.), Advances in Mathematical Chemistry and Applications, vol. 2, Bentham Science Publishers, 2015, str. 148-178. [COBISS.SI-ID 5742874]

32. DJANKOVA, Tamara Jurjevna, FJODOROVA, Natalja Stanislavovna, BASKOVA, Olga,

OSTANEN, Anna, “Prognozirovanie kolorističeskih svojstv v processah otdelki aramidn‘ih voloknist‘ih materialov”, V: Fiziko-himija polimerov: sintez, svojstva i primenenie, sbornik naučn‘ih trudov, Vipusk 21, Tver, Tverskoj gosudarstvenij universitet, 2015, str. 288-293. [COBISS.SI-ID 5820954]

33. MINOVSKI, Nikola, NOVIČ, Marjana, “integrated in silico methods for the design

and optimization of novel drug candidates: a case study on luoroquinolones - Mycobacterium tuberculosis DNA gyrase inhibitors”, V: ROY, Kunal (ur.), Quantitative Structure-activity Relationships in Drug Design, Predictive Toxicology, and Risk assessment, Advances in chemical and materials engineering book series, Harsley, Medical information Science Reference (an imprint of iGi Global), 2015, str. 269-317. [COBISS.SI-ID 5658138]

34. ZUPAN, Jure, LAJOVIC, Andrej, “Pomenska mreža slovenskih samostalnikov in

glagolov”, V: SMOLEJ, Mojca (ur.), Slovnica in slovar - aktualni jezikovni opis, Obdobja, Simpozij (Symposium, 34), 1. Natis, Ljubljana, Znanstvena založba Filozofske fakultete, 2015. [COBISS.SI-iD5834266]


35. BORIŠEK, Jure, Načrtovanje zaviralcev katepsina K in avtolizina s pomočjo pristopov

kemometrije in strukturno podprtega načrtovanja (Design of inhibitors of cathepsin K and autolysin with application of chemometrics and structure-based drug design), doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 282440704]

36. MARTINČIČ, Rok, Napovedovanje antioksidativne aktivnosti in

transmembranskega transporta derivatov pulvinske kisline in kumarina (Prediction of antioxidant activity and cell membrane transport of pulvinic acid and coumarine derivatives), doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 281987840]


37. Acta Chimica Slovenica, Zupan, Jure (član uredniškega odbora 1995-), Novič, Marjana

(gostujoči urednik 2009-), Ljubljana, Slovensko kemijsko društvo (Slovenian Chemical Society), 1993-, ISSN 1318-0207. [COBISS.SI-ID 14086149]

38. Analytical Letters, Zupan, Jure (član uredniškega odbora 2002-), New York,

M. Dekker, 1967-, ISSN 0003-2719. [COBISS.SI-ID 24943360]


39. Ars Mathematica Contemporanea, Randić, Milan (član uredniškega sveta 2008-

), Ljubljana, Društvo matematikov, izikov in astronomov, 2008-, ISSN 1855-3966. [COBISS.SI-ID 239049984]

40. Computational and Structural Biotechnology Journal, Fjodorova, Natalja Stanislavovna

(član uredniškega odbora 2012-), Göteborg, Chalmers University of Technology, 2011-, ISSN 2001-0370. [COBISS.SI-ID 5068826]

41. Computational Chemistry, Fjodorova, Natalja Stanislavovna (član uredniškega odbora

2013-), Irvine (CA), Scientiic Research, 2013-. [COBISS.SI-ID 5395482]

42. Current Computer-aided Drug Design, Novič, Marjana (član uredniškega odbora 2010-),

Vračko, Marjan (član uredniškega odbora 2012-), Hilversum, Bentham Science Publishers, 2005-, ISSN 1573-4099. [COBISS.SI-ID 3181082]

43. Journal of Chemistry, (Online), Novič, Marjana (član uredniškega odbora 2012-),

Cairo, Hindawi Publishing Corporation, 2012-, ISSN 2090-9071. [COBISS.SI-ID 5026842]

44. Journal of Chemistry (Print), Novič, Marjana (član uredniškega odbora 2012-), Cairo,

Hindawi Publishing Corporation, 2012-, ISSN 2090-9063. [COBISS.SI-ID 4976666]

45. Journal of Nanotoxicology and Nanomedicine, Fjodorova, Natalja

Stanislavovna (član uredniškega odbora 2015-), Harshey, IGI Global, 2016-. [COBISS.SI-ID 5796122]


46. MARTINČIČ, Rok, Novič, Marjana (mentorica), Napovedovanje antioksidativne

aktivnosti in transmembranskega transporta derivatov pulvinske kisline in kumarina (Prediction of antioxidant activity and cell membrane transport of pulvinic acid and coumarine derivatives), doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 281987840]

47. BORIŠEK, Jure, Novič, Marjana (mentorica), Načrtovanje zaviralcev katepsina K in

avtolizina s pomočjo pristopov kemometrije in strukturno podprtega načrtovanja (Design of inhibitors of cathepsin K and autolysin with application of chemometrics and structure-based drug design), doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 282440704]

48. ZAVRTANIK, Nataša, Tušar, Marjan (somentor), Modeliranje obnašanja asfaltnih

zmesi pri višjih temperaturah (Modeling of asphalt mixture behaviour at high temperatures), doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 7096929]

L 04Laboratorij za analizno kemijo Laboratory for Analytical Chemistry


1. PANIGHELLO, Serena, ELTEREN, Johannes Teun van, ORSEGA, Emilio Francesco,

MORETTO, Ligia Maria, “Laser ablation-ICP-MS depth proiling to study ancient glass surface degradation”, Analytical and Bioanalytical Chemistry, 2015, vol. 407, iss. 12, str. 3377-3391. [COBISS.SI-ID 37877253]

2. VAN MALDEREN, Stijn J. M., ELTEREN, Johannes Teun van, VANHAECKE, Frank,

“Submicrometer imaging by laser ablation-inductively coupled plasma mass spectrometry via signal and image deconvolution approaches”, Analytical Chemistry, 2015, vol. 87, iss. 12, str. 6125-6132. [COBISS.SI-ID 5695258]

3. LEŠNIK, Urška, LUKEŽIČ, Tadeja, PODGORŠEK, Ajda, HORVAT, Jaka, POLAK,

Tomaž, ŠALA, Martin, JENKO, Branko, HARMROLFS, Kirsten, OCAMPO-SOSA, Alain, MARTÍNEZ, Luis Martínez, HERRON, Paul R., FUJS, Štefan, KOSEC, Gregor, HUNTER, Iain S., MÜLLER, Rolf, PETKOVIĆ, Hrvoje, “Construction of a new class of tetracycline lead structures with potent antibacterial activity through biosynthetic engineering”, Angewandte Chemie, 2015, vol. 54, str. 3937-3940. [COBISS.SI-ID 4486520]

4. TOMŠIČ, Brigita, JOVANOVSKI, Vasko, OREL, Boris, MIHELČIČ, Mohor, KOVAČ,

Janez, FRANCETIČ, Vojmir, SIMONČIČ, Barbara, “bacteriostatic photocatalytic properties of cotton modiied with TiO2 and Tio2/aminopropyltriethoxysilane”, Cellulose, 2015, vol. 22, no. 5, str. 3441-3463. [COBISS.SI-ID 3153520]

5. MCCALLA, Eric, BUDIČ, Bojan, DOMINKO, Robert, et al., “Novel complex stacking of

fully-ordered transition metal layers in Li4FeSbo6 materials”, Chemistry of Materials, 2015, vol. 27, iss. 5, str. 1699-1708. [COBISS.SI-ID 37872133]

6. AMISSE, Robin, SOUGRATI, Moulay Tahar, STIEVANO, Lorenzo, DAVOISNE, C., DRAŽIĆ,

Goran, BUDIČ, Bojan, DOMINKO, Robert, MASQUELIER, Christian, “Singular structural and electrochemical properties in highly defective LiFepo4 powders”, Chemistry of Materials, 2015, vol. 27, iss. 12, str. 4261-4273. [COBISS.SI-ID 5728026]

7. DAL BORGO, Sebastiano, SOPHA, Hanna Ingrid, SMARZEWSKA, Sylwia, HOČEVAR,

151

Samo B., ŠVANCARA, Ivan, METELKA, Radovan, “Macroporous bismuth ilm screen-printed carbon electrode for simultaneous determination of ni(ii) and Co(II)”, Electroanalysis, 2015, vol. 27, iss. 1, str. 209-216. [COBISS.SI-ID 5613850]

8. MENART, Eva, JOVANOVSKI, Vasko, HOČEVAR, Samo B., “Silver particle-decorated carbon

paste electrode based on ionic liquid for improved determination of nitrite”, Electrochemistry Communications, 2015, vol. 52, str. 45-48. [COBISS.Si-iD 5639706]

9. JOVANOVSKI, Vasko, HRASTNIK, Nana Ivana, HOČEVAR, Samo B., “Copper ilm electrode

for anodic stripping voltammetric determination of trace mercury and lead”, Electrochemistry Communications, 2015, vol. 57, str. 1-4. [COBISS.Si-iD 5692186]

10. DAL BORGO, Sebastiano, JOVANOVSKI, Vasko, PIHLAR, Boris, HOČEVAR, Samo

B., “Operation of bismuth ilm electrode in more acidic medium”, Electrochimica Acta, 2015, vol. 155, str. 196-200. [COBISS.SI-ID 5639450]

11. MAROLT, Gregor, ŠALA, Martin, PIHLAR, Boris, “Voltammetric investigation of

iron(III) interactions with phytate”, Electrochimica Acta, 2015, vol. 176, no. 1, str. 1116-1125. [COBISS.Si-iD 1536395203]

12. ROMIH, Tea, HOČEVAR, Samo B., JEMEC, Anita, DROBNE, Damjana, “Bismuth ilm

electrode for anodic stripping voltammetric measurement of silver nanoparticle dissolution”, Electrochimica Acta, 2015, vol. 188, str. 393-397. [COBISS.SI-ID 3694415]

13. KROFLIČ, Ana, GRILC, Miha, GRGIĆ, Irena, “Unraveling pathways of guaiacol nitration

in atmospheric waters: nitrite, a source of reactive nitronium ion in the atmosphere”, Environmental Science & Technology, 2015, vol. 49, iss. 15, str. 9150-9158. [COBISS.SI-ID 37960197]

14. WALKER, Julian, BUDIČ, Bojan, BRYANT, Peter, KURUSINGAL, Valsala, SORRELL,

Charles C., BENČAN, Andreja, ROJAC, Tadej, VALANOOR, Nagarajan, “Robust polarization and strain behavior of sm-modiied BiFeO3 piezoelectric ceramics”, IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control, 2015, vol. 62, no. 1, str. 83-87. [COBISS.SI-ID 28289319]

15. VAN MALDEREN, Stijn J. M., ELTEREN, Johannes Teun van, VANHAECKE, Frank,

“Development of a fast laser ablation-inductively coupled plasma-mass spectrometry cell for sub-µm scanning of layered materials”, Journal of Analytical Atomic Spectrometry, 2015, vol. 30, iss. 1, str. 119-125. [COBISS.SI-ID 5631258]

16. ČEPIN, Marjeta, JOVANOVSKI, Vasko, PODLOGAR, Matejka, CRNJAK OREL,

Zorica, “Amino- and ionic liquid-functionalised nanocrystalline Zno via silane anchoring - an antimicrobial synergy”, Journal of Materials Chemistry. B, Materials for Biology and Medicine, 2015, vol. 3, iss. 6, str. 1059-1067. [COBISS.SI-ID 5610778]

17. JAZBEC, Katja, ŠALA, Martin, MOZETIČ, Miran, VESEL, Alenka, GORJANC, Marija,

“Functionalization of cellulose ibres with oxygen plasma and Zno nanoparticles for achieving Uv protective properties”, Journal of Nanomaterials, 2015, vol. 2015, article ID 346739, 9 str. [COBISS.Si-iD 3104112]

18. HODNIK, Nejc, JOVANOVIČ, Primož, PAVLIŠIČ, Andraž, JOZINOVIĆ, Barbara,

ZORKO, Milena, BELE, Marjan, ŠELIH, Vid Simon, ŠALA, Martin, HOČEVAR, Samo B., GABERŠČEK, Miran, “New insights into corrosion of ruthenium and ruthenium oxide nanoparticles in acidic media”, The Journal of Physical Chemistry. C, Nanomaterials and Interfaces, 2015, vol. 119, iss. 18, str. 10140-10147. [COBISS.SI-ID 5687322]

19. BAKARIČ, Tina, BUDIČ, Bojan, MALIČ, Barbara, KUŠČER, Danjela, “The inluence

of pH dependent ion leaching on the processing of lead-zirconate-titanate ceramics”, Journal of the European Ceramic Society, 2015, vol. 35, no. 8, str. 2295-2302. [COBISS.SI-ID 28466471]

20. NOVAK, Metka, LAH, Ljerka, ŠALA, Martin, STOJAN, Jure, BOHLMANN, Joerg,

KOMEL, Radovan, “Oleic acid metabolism via a conserved cytochrome p450 system-mediated ω-hydroxylation in the bark beetle-associated fungus Grosmannia clavigera”, PloS one, 2015, vol. 10, iss. 3, e0120119. [COBISS.SI-ID 31899353]

21. ŠALA, Martin, KOČAR, Drago, LUKEŽIČ, Tadeja, KOSEC, Gregor, HODOŠČEK, Milan,

PETKOVIĆ, Hrvoje, “Rapid identiication of atypical tetracyclines using tandem mass spectrometric fragmentation patterns”, Rapid Communications in Mass Spectrometry, 2015, vol. 29, no. 17, str. 1556-1562. [COBISS.SI-ID 4542072]

22. KROFLIČ, Ana, GRILC, Miha, GRGIĆ, Irena, “Does toxicity of aromatic pollutants

increase under remote atmospheric conditions?” Scientiic Reports, 2015, vol. 5, str. 1-5. [COBISS.SI-ID 37870853]

23. NOZIÈRE, Barbara, KALBERER, Markus, CLAEYS, Magda, ALLAN, James, D´ANNA,

Barbara, DECESARI, Stefano, FINESSI, Emanuela, GLASIUS, Marianne, GRGIĆ, Irena, HAMILTON, Jacqueline F., HOFFMANN, Thorsten, IINUMA, Yoshiteru, JAOUI, Mohammed, KAHNT, Ariane, KAMPF, Christopher J., KOURTCHEV, Ivan, MAENHAUT, Willy, MARSDEN, Nicholas,


SAARIKOSKI, Sanna, SCHNELLE-KREIS, Jürgen, SURRATT, Jason D., SZIDAT, Sönke, SZMIGIELSKI, Rafal, WISTHALER, Armin, “The molecular identiication of organic compounds in the atmosphere: state of the art and challenges”, Chemical Reviews, 2015, vol. 115, iss. 10, str. 3919-3983. [COBISS.SI-ID 5644058]


24. KROFLIČ, Ana, Izotermna titracijska kalorimetrija (ITC), Ljubljana, Fakulteta za

farmacijo, 2015. [COBISS.SI-ID 5715738]


25. American Journal of Biomedical Sciences, OGOREVC, Božidar (član uredniškega

odbora 2010-), Sarasota (Fla.), New World Publishing International, 2009-, ISSN 1937-9080. [COBISS.SI-ID 4383002]

26. Journal of Analytical Atomic Spectrometry. ELTEREN, Johannes van Teun (član

uredniškega odbora 2015-), London, The Royal Society of Chemistry, ISSN 0267-9477. [COBISS.Si-iD 25705216]

L 05Laboratorij za okoljske vedein inženirstvoLaboratory for Environmental Sciencesand Engineering


1. COTMAN, Magda, PINTAR, Albin, “Proiciency testing of wastewater sampling: what did we

learn?” Accreditation and Quality Assurance, 2015, vol. 20, iss. 5, str. 387-394. [COBISS.SI-ID 5772314]

2. ZABILSKY, Maxim, DJINOVIĆ, Petar, TCHERNYCHOVA, Elena, TKACHENKO,

Olga P., KUSTOV, Leonid M., PINTAR, Albin, “nanoshaped Cuo/Ceo2 materials: efect of the exposed ceria surfaces on catalytic activity in n2o decomposition reaction”, ACS Catalysis, 2015, vol. 5, iss. 9, str. 5357-5365. [COBISS.SI-ID 5747482]

3. KAPLAN, Renata, ERJAVEC, Boštjan, PINTAR, Albin, “Enhanced photocatalytic activity of

single-phase, nanocomposite and physically mixed Tio2 polymorphs”, Applied Catalysis. A, General, 2015, vol. 489, str. 51-60. [COBISS.SI-ID 5573914]

4. AW, Moom Sinn, ZORKO, Milena, DJINOVIĆ, Petar, PINTAR, Albin, “Insights into durable

NiCo catalysts on β-SiC/CeZrO2 and γ-Al2o3/CeZro2 advanced supports prepared from facile methods for CH4-Co2 dry reforming”, Applied Catalysis. B, Environmental, 2015, vol. 164, str. 100-112. [COBISS.SI-ID 37574917]

5. ZABILSKY, Maxim, DJINOVIĆ, Petar, ERJAVEC, Boštjan, DRAŽIĆ, Goran, PINTAR, Albin, “Small

Cuo clusters on Ceo2 nanospheres as active species for catalytic n2O decomposition”, Applied Catalysis. B, Environmental, 2015, vol. 163, str. 113-122. [COBISS.SI-ID 5531930]

6. DJINOVIĆ, Petar, OSOJNIK ČRNIVEC, Ilja Gasan, PINTAR, Albin, “Biogas to syngas

conversion without carbonaceous deposits via the dry reforming reaction using transition metal catalysts”, Catalysis Today, 2015, vol. 253, str. 155-162. [COBISS.SI-ID 37867525]

7. PLAHUTA, Maja, TIŠLER, Tatjana, PINTAR, Albin, TOMAN, Mihael Jožef, “Adverse efects

of bisphenol a on water louse (Asellus aquaticus)”, Ecotoxicology and Environmental Safety, 2015, vol. 117, str. 81-88. [COBISS.SI-ID 3409999]

8. ARBAĞ, Hüseyin, YAŞYERLI, Sena, YAŞYERLI, Nail, DOĞU, Gülşen, DOĞU, Timur, OSOJNIK

ČRNIVEC, Ilja Gasan, PINTAR, Albin, “Coke minimization during conversion of biogas to syngas by bimetallic tungsten-nickel incorporated mesoporous alumina synthesized by the one-pot route”, Industrial & Engineering Chemistry Research, 2015, vol. 54, iss. 8, str. 2290-2301. [COBISS.SI-ID 5664794]

9. AW, Moom Sinn, ZORKO, Milena, OSOJNIK ČRNIVEC, Ilja Gasan, PINTAR, Albin, “Progress

in the synthesis of catalyst supports: synergistic efects of nanocomposites for attaining long-term stable activity in CH4-Co2 dry reforming”, Industrial & Engineering Chemistry Research, 2015, vol. 54, iss. 15, str. 3775-3787. [COBISS.SI-ID 5676314]

10. MUSTU, Hande, YAŞYERLI, Sena, YAŞYERLI, Nail, DOĞU, Gülşen, DOĞU, Timur,

DJINOVIĆ, Petar, PINTAR, Albin, “Efect of synthesis route of mesoporous zirconia based ni catalysts on coke minimization in conversion of biogas to synthesis gas”, International Journal of Hydrogen Energy, 2015, vol. 40, iss. 8, str. 3217-3228. [COBISS.SI-ID 5643034]

11. RAMANKUTTY, Sunil Athalathil, ERJAVEC, Boštjan, KAPLAN, Renata, STÜBER, Frank,

BENGOA, Christophe, FONT, Josep, SANROMÀ,

153

Agustí Fortuny, PINTAR, Albin, LLANGOSTERA, Azael Fabregat, “TiO2-sludge carbon enhanced catalytic oxidative reaction in environmental wastewaters applications”, Journal of Hazardous Materials, 2015, vol. 300, str. 406-414. [COBISS.Si-iD 5730586]

12. OSOJNIK ČRNIVEC, Ilja Gasan, DJINOVIĆ, Petar, ERJAVEC, Boštjan, PINTAR, Albin,

“Low-temperature catalytic decarboxylation of formic and acetic acid over a Ru/Tio2 catalyst: prospects for continuous production of energy-rich gaseous mixtures”, RSC Advances, 2015, vol. 5, iss. 67, str. 54085-54089. [COBISS.SI-ID 5714970]

13. JEMEC, Anita, DJINOVIĆ, Petar, OSOJNIK ČRNIVEC, Ilja Gasan, PINTAR, Albin, “The

hazard assessment of nanostructured Ceo2-based mixed oxides on the zebraish Danio rerio under environmentally relevant UV-A exposure”, Science of the Total Environment, 2015, vol. 506/507, str. 272-278. [COBISS.SI-ID 5610010]

14. DJINOVIĆ, Petar, TOMŠE, Tomaž, GRDADOLNIK, Jelka, BOŽIČ, Špela, ERJAVEC,

Boštjan, ZABILSKY, Maxim, PINTAR, Albin, “Natural aluminosilicates for catalytic depolymerization of polyethylene to produce liquid fuel-grade hydrocarbons and low oleins”, Catalysis Today, vol. 258, pt. 2, str. 648-659. [COBISS.SI-ID 5651226]

15. ERJAVEC, Boštjan, KAPLAN, Renata, PINTAR, Albin, “Efects of heat and peroxide

treatment on photocatalytic activity of titanate nanotubes”, Catalysis Today, vol. 241, Pt. A, str. 15-24. [COBISS.SI-ID 5480986]

16. TIŠLER, Tatjana, ERJAVEC, Boštjan, KAPLAN, Renata, SENILA, Marin, PINTAR, Albin,

“Unexpected toxicity to aquatic organisms of some aqueous bisphenol a samples treated by advanced oxidation processes”, Water Science and Technology, 2015, vol. 72, no. 1, str. 29-37. [COBISS.Si-iD 5698842]


17. PINTAR, Albin, KAPLAN, Renata, ERJAVEC, Boštjan, DRAŽIĆ, Goran, GRDADOLNIK,

Jože, “Novel anatase/rutile/brookite TiO2 nanocomposite with superior mineralization potential for photocatalytic degradation of water pollutants”, V: Book of Proceedings, Athens, 2015, 3 str. [COBISS.SI-ID 5809178]

18. DRAŠINAC, Nina, ERJAVEC, Boštjan, PINTAR, Albin, “Peroxo-gold modiied titanium

nanotubes for efective removal of methyl orange with CWPO under ambient conditions”, V: Book of Proceedings, Athens, 2015, 3 str. [COBISS.SI-ID 5808666]

19. ERJAVEC, Boštjan, HUDOKLIN, Petra, PERC, Katja, TIŠLER, Tatjana, SOLLNER DOLENC,

Marija, PINTAR, Albin, “Photocatalytic removal of toxicity and estrogenicity of water dissolved bisphenols (bisphenol A, F and AF) in BR and CSTR”, V: Book of Proceedings, Athens, 2015, 3 str. [COBISS.SI-ID 5808922]

20. PINTAR, Albin, OSOJNIK ČRNIVEC, Ilja Gasan, DJINOVIĆ, Petar, ERJAVEC, Boštjan,

“production of energy-rich gases via catalytic decarboxylation of formic and acetic acid in a trickle-bed reactor over Ru/Tio2”, V: Book of Proceedings, Athens, 2015, 3 str. [COBISS.SI-ID 5808410]

21. TIŠLER, Tatjana, ERJAVEC, Boštjan, PLAHUTA, Maja, PINTAR, Albin, “Visible light

photolytic/photocatalytic disinfection of water samples using Cu-deposited titanate nanotube-based catalysts”, V: Book of Proceedings, Athens, 2015, 3 str. [COBISS.SI-ID 5808154]

22. ZABILSKY, Maxim, DJINOVIĆ, Petar, ERJAVEC, Boštjan, PINTAR, Albin,

“Remarkable enhancement in degradation of n2o emissions by using nanosized Cu/Ceo2 solids”, V: European Meeting on Chemical Industry and Environment, Tarragona, Spain, 10-12 June 2015, BENGOA, Christophe (ur.), Conference Proceedings, Tarragona, 2015, str. 31-32. [COBISS.SI-ID 5710106]

23. DJINOVIĆ, Petar, OSOJNIK ČRNIVEC, Ilja Gasan, ERJAVEC, Boštjan, PINTAR, Albin,

“Ceo2-Zro2 supported niCo bimetallic catalyst for CH4-Co2 reforming without carbonaceous deposits, V: European Meeting on Chemical Industry and Environment, Tarragona, Spain, 10-12 June 2015, BENGOA, Christophe (ur.), Conference Proceedings, Tarragona, 2015, str. 379-380. [COBISS.SI-ID 5713434]

24. DJINOVIĆ, Petar, TOMŠE, Tomaž, GRDADOLNIK, Jelka, BOŽIČ, Špela, ERJAVEC,

Boštjan, ZABILSKY, Maxim, PINTAR, Albin, “Natural aluminosilicates for catalytic depolymerization of polyethylene”, V: European Meeting on Chemical Industry and Environment, Tarragona, Spain, 10-12 June 2015, BENGOA, Christophe (ur.), Conference Proceedings, Tarragona, 2015, str. 395-396. [COBISS.SI-ID 5713690]

25. ERJAVEC, Boštjan, HUDOKLIN, Petra, PERC, Katja, TIŠLER, Tatjana, SOLLNER DOLENC,

Marija, PINTAR, Albin, “Photocatalytic removal of bisphenols (A, F and AF) in BR and CSTR, V: European Meeting on Chemical industry and Environment”, Tarragona, Spain, 10-12 June 2015, BENGOA, Christophe (ur.), Conference Proceedings, Tarragona, 2015, str. 545-546. [COBISS.SI-ID 5713946]


26. MALEV, Olga, SAUERBORN KLOBUČAR, Roberta, TIŠLER, Tatjana, DROBNE,

Damjana, TREBŠE, Polonca, “Application of cost-efective biological tools for assessing of chemical poisoning”, V: CAMESANO, Terri A. (ur.), Nanotechnology to Aid Chemical and Biological Defense, NATO science for peace and security series. A, Chemistry and biology, Amsterdam, Springer, 2015, str. 77-93. [COBISS.SI-ID 4959083]

27. OSOJNIK ČRNIVEC, Ilja Gasan, DJINOVIĆ, Petar, ERJAVEC, Boštjan, PINTAR, Albin,

“novel transitional metal catalyst for synthesis gas production from CH4/Co2-rich gas mixtures”, V: Nitrogen+Syngas 2015, 23-26 February 2015, Istanbul, Turkey, Promoting and Developing Best Practice and Innovation in the Global Nitrogen Industry, technical preprints, London, CRU, 2015, str. 47-53. [COBISS.SI-ID 5668378]


28. DJINOVIĆ, Petar, SCHÜTZ, Ferdi, “Energy carriers made from hydrogen”, V:

Electrochemical Energy Storage for Renewable Sources and Grid Balancing, MOSELEY, Patrick T. (ur.), Amsterdam, Elsevier, 2015, str. 183-199. [COBISS.SI-ID 5599514]


29. KAPLAN, Renata, Sinteza in uporaba katalizatorjev na osnovi titanatnih nanocevk

za čiščenje modelnih in realnih odpadnih vod, doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 1536312259]

Patenti in patentne prijave / Patents and Patent Applications

30. OSOJNIK ČRNIVEC, Ilja Gasan, DJINOVIĆ, Petar, PINTAR, Albin, ERJAVEC, Boštjan,

Catalyst and the process for converting gas mixtures of methane and carbon dioxide into syngas, patentna prijava, EP2926904 (A1), 2015-10-07, München, World Intellectual Property Organization, International Bureau, 2015. [COBISS.SI-ID 5473306]


31. Catalysis Today, PINTAR, Albin (gostujoči urednik 2015), Amsterdam, Oxford, New

York, Tokyo, Elsevier, ISSN 0920-5861. [COBISS.Si-iD 15324421]

32. Recent Patents on Chemical Engineering, PINTAR, Albin (član uredniškega odbora

2008-), Sharjah, U. A. E., Bentham Science, 2008-. [COBISS.SI-ID 3875098]

33. RSC Advances, PINTAR, Albin (član uredniškega odbora 2015-), Cambridge,

RSC Publishing, 2011-, ISSN 2046-2069. [COBISS.Si-iD 2513252]

34. ČERNE, Katarina (urednik, recenzent), KUŽNER, Jernej (urednik, recenzent),

PERHARIČ, Lucija (urednik, recenzent), SOLLNER DOLENC, Marija (urednik, recenzent), TIŠLER, Tatjana (urednik, recenzent), Kemijski povzročitelji hormonskih motenj od molekule do človeka (Endocrine disrupting chemicals - from molecule to man. Ljubljana), Slovensko toksikološko društvo, 2015, ISBN 978-961-91445-1-0. [COBISS.SI-ID 279272192]

35. BESSON, Michèle (urednik), PINTAR, Albin (urednik), VERNOUX, Philippe (urednik),

Symposium „Catalysis for pollution treatment“ of the 11th edition of the Europacat Congress in Catalysis (EUROPACAT XI), Lyon, France, September 1-6, 2013, Catalysis Today, Vol. 241, Pt. A, (Mar. 2015), Amsterdam, Elsevier, 2015. [COBISS.SI-ID 5606682]

Intervjuji in mediji / Interviews and Media

36. DJINOVIĆ, Petar (intervjuvanec), OSOJNIK ČRNIVEC, Ilja Gasan (intervjuvanec),

Od biogoriv do laserjev, znanstveni utrinki tedna, sodelovanje v oddaji Faktor X na Valu 202, 1. 8. 2015. [COBISS.SI-ID 5743642]


37. KAPLAN, Renata, PINTAR, Albin (mentor), LEVEC, Janez (somentor), Sinteza in

uporaba katalizatorjev na osnovi titanatnih nanocevk za čiščenje modelnih in realnih odpadnih vod, doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 1536312259]

38. BELŠAK, Nataša, PINTAR, Albin (somentor), Razgradnja lignoceluloznega materiala trdnih

organskih odpadkov z glivo Pleurotus ostreatus pred procesom anaerobne fermentacije v trdnem stanju, doktorska disertacija, Maribor, 2015. [COBISS.SI-ID 19250710]

39. GERŽELJ, Urška, TIŠLER, Tatjana (somentorica), Določanje kronične

strupenosti bisfenolov A, F in AF na algah in rakih (Estimating the cronical toxicity of bisphenols A, F and AF on algae and crustaceans), magistrsko delo, Ljubljana, 2015. [COBISS.SI-ID 3944561]

155

40. KREL, Alja, TIŠLER, Tatjana (somentorica), Strupenost bisfenolov A, F in AF za ribe

zebrice (Danio rerio), vodne bolhe (Daphnia magna) in bakterije Vibrio ischeri (Toxicity of bisphenols A, F and AF on zebraish (Danio rerio), water leas (Daphnia magna) and bacteria Vibrio ischeri), magistrsko delo, Ljubljana, 2015. [COBISS.SI-ID 3944049]

41. PUSTIŠEK, Suzana, PINTAR, Albin (somentor), Sinteza katalizatorjev CeO2-ZrO2

za reakcijo suhega reforminga metana, diplomsko delo, Ljubljana, 2015. [COBISS.SI-ID 1536626371]

42. PETELIN, Špela, PINTAR, Albin (somentor), Učinkovitost odstranjevanja strupenosti in

estrogenosti iz modelnih in realnih vodnih vzorcev s procesom katalitske ozonacije, diplomsko delo, Ljubljana, 2015. [COBISS.SI-ID 1536188099]

L 06 Laboratorij za prehrambeno kemijo Laboratory for Food Chemistry


1. BARTL, Pavel, ALBREHT, Alen, SKRT, Mihaela, TREMLOVA, Bohuslava, OŠTÁDALOVÁ,

Martina, ŠMEJKAL, Karel, VOVK, Irena, POKLAR ULRIH, Nataša, “Anthocyanins in purple and blue wheat grains and in resulting bread: quantity, composition, and thermal stability”, International Journal of Food Sciences and Nutrition, 2015, vol. 66, iss. 5, str. 514-519. [COBISS.SI-ID 4541560]

2. NAUMOSKA, Katerina, VOVK, Irena, “analysis of triterpenoids and phytosterols

in vegetables by thin-layer chromatography coupled to tandem mass spectrometry”, Journal of Chromatography A, 2015, vol. 1381, str. 229-238. [COBISS.SI-ID 5635354]

3. KRIŽMAN, Mitja, PUŠAR, Alenka, “Comprehensive thin layer chromatography

x gas chromatography using headspace sampling modulation: a case study on fatty acid composition analysis”, Journal of Chromatography. A, 2015, vol. 1405, str. 149-155. [COBISS.SI-ID 5728538]

4. GUZELMERIC, Etil, VOVK, Irena, YESILADA, Erdem, “Development and validation of

an HpTLC method for apigenin 7-o-glucoside in chamomile lowers and its application for ingerprint discrimination of chamomile-like materials”, Journal of Pharmaceutical and

Biomedical Analysis, 2015, vol. 107, str. 108-118. [COBISS.SI-ID 5627162]

5. VOVK, Irena, GERČAR, Nadja, SIMONOVSKA, Breda, SOK, Mihael, “Chromatographic

determination of total cholesterol in human lung healthy and cancer tissues of the same patient”, JPC - Journal of Planar Chromatography - Modern TLC, 2015, vol. 28, no. 2, str. 152-156. [COBISS.SI-ID 37867013]


6. VOVK, Irena, GLAVNIK, Vesna, “Analysis of dietary supplements”, V: POOLE, Colin F.

(ur.), Instrumental Thin-layer Chromatography, Amsterdam, Elsevier, 2015, str. 589-635. [COBISS.Si-iD 5567002]

7. ALBREHT, Alen, VOVK, Irena, “TLC-MS analysis using solvent elution of compounds from

chromatographic media”, V: KOWALSKA, Teresa (ur.), SAJEWICZ, Mieczysław (ur.), SHERMA, Joseph (ur.), Planar chromatography - mass spectrometry, (Chromatographic science series, vol. 110), Boca Raton: CRC, Tayor & Francis Group, cop. 2015, str. 123-140. [COBISS.SI-ID 5850138]

8. VOVK, Irena, ALBREHT, Alen, “TLC-MS analysis of carotenoids, triterpenoids, and lavanols

in plant extracts and dietary supplements”, V: KOWALSKA, Teresa (ur.), SAJEWICZ, Mieczysław (ur.), SHERMA, Joseph (ur.), Planar chromatography - mass spectrometry, (Chromatographic science series, vol. 110), Boca Raton: CRC, Tayor & Francis Group, cop. 2015, str. 305-325. [COBISS.SI-ID 5850394]


9. NAUMOSKA, Katerina, Chromatographic and mass spectrometric methods for

characterization of triterpenoids and phytosterols in vegetables, doctoral dissertation, Ljubljana, 2015. [COBISS.SI-ID 281789952]

10. BRULC, Lučka, Zeaksantin, β-kriptoksantin in ostali ksantoili v jajčnih rumenjakih

(Zeaxanthin, β-cryptoxanthin and other xanthophylls in egg yolk), doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 4552312]

Patenti in patentne prijave/Patents and Patent Applications

11. TURNŠEK, Jernej, ILC, Tina, TOMŠIČ, Nejc, JERALA, Roman, AVBELJ, Monika, BENČINA,


Mojca, MORI, Jerneja, STOŠICKI, Tjaša, ŽNIDARIČ, Matej, BORDON, Jure, PETRONI, Mattia, GABER, Rok, KOPRIVNJAK, Tomaž, ANDERLUH, Gregor, VOVK, Irena, GLAVNIK, Vesna, Improved synthesis of biosynthetic product by ordered assembly of biosynthetic enzymes guided by the nucleotide sequence motif template, patent, AT512453 (B1), 2015-05-15, Wien, Österreichisches Petentamt, 2015. [COBISS.SI-ID 5480730]


12. Acta Chimica Slovenica, VOVK, Irena (področni urednik 2011-), Ljubljana,


13. Bulletin of University of Agricultural Sciences and Veterinary Medicine Cluj-

Napoca, Food Science and Technology, VOVK, Irena (član uredniškega odbora 2013-), Cluj-Napoca, AcademicPres, 2013-, ISSN 2344-2344. [COBISS.Si-iD 5559578]

14. Chromatography Research International, VOVK, Irena (član uredniškega odbora

2011-), Cairo, Hindawi Publishing Corporation, ISSN 2090-3502. [COBISS.SI-ID 518694937]

15. 21st international Symposium on Separation Sciences, June 30 - July 3,

2015, Ljubljana, Slovenia, VOVK, Irena (urednik), GLAVNIK, Vesna (urednik), ALBREHT, Alen (urednik), Book of Abstracts, Ljubljana, National Institute of Chemistry, 2015, ISBN 978-961-6104-28-9. [COBISS.SI-ID 280195328]


16. NAUMOSKA, Katerina, VOVK, Irena (mentorica), Chromatographic and mass

spectrometric methods for characterization of triterpenoids and phytosterols in vegetables, doctoral dissertation, Ljubljana, 2015. [COBISS.SI-ID 281789952]

17. BRULC, Lučka, SIMONOVSKA, Breda (mentorica), Zeaksantin, β-kriptoksantin in

ostali ksantoili v jajčnih rumenjakih (Zeaxanthin, β-cryptoxanthin and other xanthophylls in egg yolk), doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 4552312]

18. GUZELMERIC, Etil, VOVK, Irena (somentorica), Development and validation of qualitative

and quantitative high performance thin-layer chromatographic methods for analysis of marker compounds in Matricaria recutita L. and Cynara Scolymus L. extracts, doctor of philosophy thesis, Istanbul, 2015. [COBISS.SI-ID 5788186]

19. ROGELJ, Anže, VOVK, Irena (somentorica), Antioksidanti in njihova učinkovitost v

različnih tkivih invazivnih tujerodnih dresnikov (Antioxidants and their eiciency in diferent tissues of invasive alien knotweed species), magistrsko delo, Ljubljana, 2015. [COBISS.SI-ID 3625807]

L 07Laboratorij za polimerno kemijo in teh-

nologijoLaboratory for Polymer Chemistry and Technology


1. SITAR, Simona, KEJŽAR, Anja, PAHOVNIK, David, KOGEJ, Ksenija, TUŠEK-ŽNIDARIČ,

Magda, LENASSI, Metka, ŽAGAR, Ema, “Size characterization and quantiication of exosomes by asymmetrical-low ield-low fractionation”, Analytical Chemistry, 2015, vol. 87, iss. 18, str. 9225-9233. [COBISS.SI-ID 5754138]

2. ŠEBENIK, Gorazd, HUSKIĆ, Miroslav, VENGUST, Damjan, ŽIGON, Majda,

“properties of epoxy and unsaturated polyester nanocomposites with polycation modiied montmorillonites”, Applied Clay Science, 2015, vol. 109/110, str. 143-150. [COBISS.SI-ID 5675034]

3. KOVAČIČ, Sebastijan, PREISHUBER-PFLÜGL, Florian, PAHOVNIK, David, ŽAGAR, Ema,

SLUGOVC, Christian, “Covalent incorporation of the surfactant into high internal phase emulsion templated polymeric foams”, Chemical Communications, 2015, vol. 51, iss. 36, str. 7725-7728. [COBISS.SI-ID 37876997]

4. HUSKIĆ, Miroslav, PULKO, Irena, “The synthesis and characterization of multiarm

star-shaped graft copolymers of polycaprolactone and hyperbranched polyester”, European Polymer Journal, 2015, vol. 70, str. 384-391. [COBISS.SI-ID 5742362]

5. ČUK, Nataša, KUNAVER, Matjaž, POLJANŠEK, Ida, UGOVŠEK, Aleš, ŠERNEK, Milan, MEDVED,

Sergej, “Properties of liqueied wood modiied melamine-formaldehyde (MF) resin adhesive and its application for bonding particleboards”, Journal of Adhesion Science and Technology, 2015, vol. 29, iss. 15, str. 1553-1562. [COBISS.SI-ID 2377097]

157

6. ČUK, Nataša, FABJAN, Ema, GRŽELJ, Petra, KUNAVER, Matjaž, “Water-blown

polyurethane/polyisocyanurate foams made from recycled polyethylene terephthalate and liqueied wood-based polyester polyol”, Journal of Applied Polymer Science, 2015, vol. 132, iss. 8, str. 1-7. [COBISS.SI-ID 5568026]

7. VEZOČNIK, Valerija, REBOLJ, Katja, SITAR, Simona, OTA, Katja, TUŠEK-ŽNIDARIČ, Magda,

ŠTRUS, Jasna, SEPČIĆ, Kristina, PAHOVNIK, David, MAČEK, Peter, ŽAGAR, Ema, “Size fractionation and size characterization of nanoemulsions of lipid droplets and large unilamellar lipid vesicles by asymmetric-low ield-low fractionation/multi-angle light scattering and dynamic light scattering”, Journal of Chromatography. A, 2015, vol. 1418, str. 185-191. [COBISS.SI-ID 3611727]

8. NANEH, Omar, BEDINA ZAVEC, Apolonija, PAHOVNIK, David, ŽAGAR, Ema, GILBERT,

Robert J., KRIŽAJ, Igor, ANDERLUH, Gregor, “An optimized protocol for expression and puriication of murine perforin in insect cells”, Journal of Immunological Methods, 2015, vol. 426, str. 19-28. [COBISS.SI-ID 28754215]

9. KOVAČIČ, Sebastijan, MAZAJ, Matjaž, JEŠELNIK, Marjan, PAHOVNIK, David, ŽAGAR,

Ema, SLUGOVC, Christian, ZABUKOVEC LOGAR, Nataša, “Synthesis and catalytic performance of hierarchically porous MiL-100(Fe)@polyHipE hybrid membranes”, Macromolecular Rapid Communications, 2015, vol. 36, iss. 17, str. 1605-1611. [COBISS.SI-ID 5733914]

10. ANŽLOVAR, Alojz, MARINŠEK, Marjan, CRNJAK OREL, Zorica, ŽIGON, Majda, “Basic

zinc carbonate as a precursor in the solvothermal synthesis of nano-zinc oxide”, Materials & Design, 2015, vol. 86, str. 347-353. [COBISS.SI-ID 5800730]

11. KOLLER, Martin, DIAS, Miguel Miranda de Sousa, RODRÍGUEZ-CONTRERAS,

Alejandra, KUNAVER, Matjaž, ŽAGAR, Ema, KRŽAN, Andrej, BRAUNEGG, Gerhart, “Liqueied wood as inexpensive precursor-feedstock for bio-mediated incorporation of (R)-3-hydroxyvalerate into polyhydroxyalkanoates”, Materials, 2015, vol. 8, iss. 9, str. 6543-6557. [COBISS.SI-ID 5775386]

12. BURJA, Klemen, ŠEGEDIN, Urban, SKALE, Saša, BERCE, Peter, ŠKET, Primož,

PROSEN, Polona, KUKANJA, Dolores, “Improved anticorrosion properties of polyurethane coatings based on high-solids acrylics synthesized in a high pressure reactor”, Progress in Organic Coatings, 2015, vol. 78, str. 275-286. [COBISS.SI-ID 18421782]

13. MUTAVDŽIĆ PAVLOVIĆ, Dragana, NIKŠIĆ, Korana, LIVAZOVIĆ, Sara, BRNARDIĆ, Ivan,

ANŽLOVAR, Alojz, “Preparation and application of sulfaguanidine-imprinted polymer on solid-phase extraction of pharmaceuticals from water”,

Talanta, 2015, vol. 131, no. 1, str. 99-107. [COBISS.Si-iD 37568261]


14. MAZAJ, Matjaž, KOVAČIČ, Sebastijan, ZABUKOVEC LOGAR, Nataša, “Design of

MoF heterostructures for expanding application opportunities”, V: ANTONIĆ JELIĆ, Tatjana (ur.), Proceedings of the 6th Croatian-Slovenian-Serbian Symposium on Zeolites, Šibenik, Croatia, October 1-3, 2015, Zagreb, Croatian Zeolite Association (CROZA), 2015, str. 7-10. [COBISS.SI-ID 5801754]

15. HUSKIĆ, Miroslav, PULKO, Irena, “Grafting of caprolactone on hyperbranched

polyester”, V: PULKO, Irena (ur.), Biopolymer materials and engineering, 15-17 April 2015, Slovenj Gradec, Slovenia, Slovenj Gradec, Polymer Technology College, 2015, str. 43-46. [COBISS.SI-ID 5683482]

16. KRŽAN, Andrej, “Mesto in potencial bioplastike”, V: Okolje in odpadki, odpadki

- surovina prihodnosti, zbornik 6. strokovne konference, Portorož, 23. april 2015, Maribor, Forum Media, 2015, str. 22-25. [COBISS.SI-ID 5691674]


17. KUNAVER, Matjaž, KOS, Tomaž, ANŽLOVAR, Alojz, ŽAGAR, Ema, HUSKIĆ, Miroslav,

Preparation of nanocrstalline cellulose, patent SI24656 (A), 2015-09-30, Hague, European Patent Oice, 2015. [COBISS.SI-ID 5668890]

18. LEGIŠA, Matic, DRAGAN, Marko, ANDREJC, Darjan, DOLINAR, Klemen, MOŽIR,

alenka, Modiicirana 6-fosfofrukto-1-kinaza, ki rekombinantnim celicam kvasovke Saccharomyces cerevisiae omogoča fermentativno uporabo pentoznih sladkorjev, patentna prijava P-2015023, 2015-03-25, Ljubljana, Urad RS za intelektualno lastnino, 2015. [COBISS.SI-ID 37878533]

19. ŽAGAR, Ema, TURNŠEK, Jasmina, PAHOVNIK, David, GABERC-POREKAR,

Vladka, JEVŠEVAR, Simona, MENART, Viktor, PEG-based dendron and process for producing the same, patentna prijava EP15190800.1, 2015-10-21, München, World Intellectual Property Organization, International Bureau, 2015. [COBISS.Si-iD 5813018]


20. Acta Chimica Slovenica, Žigon, Majda (član uredniškega odbora 2001-), Ljubljana,

Slovensko kemijsko društvo (Slovenian Chemical


Society), 1993-, ISSN 1318-0207. [COBISS.SI-ID 14086149]

21. IJPAC- International Journal of Polymer Analysis and Characterization, Žigon, Majda

(član uredniškega sveta 2006-2015), Lausanne, Gordon and Breach, 1995-, ISSN 1023-666X. [COBISS.SI-ID 655386]

22. JCT Research, Kunaver, Matjaž (član uredniškega odbora 2007-), Blue Bell, PA,

Federation of Societies for Coatings Technology, cop. 2004-, ISSN 1547-0091. [COBISS.SI-ID 1148041]

23. Materiali in tehnologije, Žigon, Majda (področni urednik 2000-2011, član

uredniškega sveta 2005-, član uredniškega odbora 2007-2011), Žagar, Ema (urednik 2012-), Ljubljana, Inštitut za kovinske materiale in tehnologije, 2000-, ISSN 1580-2949. [COBISS.SI-ID 106193664]

24. Pigment & Resin Technology, Kunaver, Matjaž (član uredniškega odbora 2003-), London,

Sawell Publications, ISSN 0369-9420. [COBISS.SI-ID 6575621]

25. Polimeri, Žigon, Majda (član uredniškega sveta 2013-), Zagreb, Društvo za plastiku i

gumu (Society of plastics and rubber engineers), 1980-, ISSN 0351-1871. [COBISS.SI-ID 4041986]

26. Surface Coatings International, Part B, Coatings Transactions, Kunaver, Matjaž (član

uredniškega odbora 2001-), Wembley, SURFEX Limited, 2001-2006, ISSN 1476-4865. [COBISS.SI-ID 23326213]

27. Technologica Acta, Kunaver, Matjaž (član uredniškega odbora 2015-), Tuzla,

Tehnološki fakultet, 2004-, ISSN 1840-0426. [COBISS.SI-ID 14754838]

28. PULKO, Irena (urednik), ŽIGON, Majda (urednik), Biopolymer materials and

engineering, Proceedings of the Conference Biopolymer Materials and Engineering, 15-17 April 2015, Slovenj Gradec, Slovenia, Slovenj Gradec, Polymer Technology College, 2015, ISBN 978-961-6792-09-7. [COBISS.SI-ID 279943680]

29. Seminar on Microplastics Issues, Piran, May 4-6 2015, KRŽAN, Andrej (urednik),

HORVAT, Petra (urednik), Micro 2015, Book of abstracts, Ljubljana, DeFishGear, 2015. [COBISS.Si-iD 13975835]

30. LATELLA, Aurelio (urednik), HORVAT, Petra (urednik), Proceedings of In the Wake of

Plastics, International Conference, Venice, October 13-15, 2015, Venezia, Università CaʼFoscari Venezia, 2015. [COBISS.SI-ID 7334497]


31. ČUČEK, Anja (diskutant), KRŽAN, Andrej (intervjuvanec), KOVAČ VIRŠEK, Manca

(intervjuvanec), ROBIČ, Uroš (intervjuvanec), FRANCÉ, Janja (intervjuvanec), HORVAT, Petra, LIČER, Matjaž (intervjuvanec), ALEKSIČ, Lucija (intervjuvanec), ČELEŠNIK, Božidar (intervjuvanec), MARGON, Vid (intervjuvanec), MAROLT, Damijana (intervjuvanec), IVANUŠ, Nataša (drugo), Mikroplastika v našem morju, Ugriznimo v znanost, 21. maj 2015, RTV 4, Ljubljana, RTV 4, 21. maj 2015. [COBISS.SI-ID 7331425]

32. KUNAVER, Matjaž (intervjuvanec), Nanoceluloza kot izziv in razvojni potencial,

oddaja Pogled v znanost, Radio Slovenija, tretji program (ARS), 14. 9. 2015. [COBISS.SI-ID 5768730]

33. ŽIGON, Majda (intervjuvanec), Podobe znanja, oddaja na Radiu Slovenija, tretji

program (ARS), 2. 1. 2015. [COBISS.SI-ID 5627930]


34. SLAPNIK, Janez, Huskić, Miroslav (somentor), Izboljšanje lastnosti polimlečne

kisline z dodatkom nanogline in celuloze, diplomsko delo, Slovenj Gradec, 2015. [COBISS.SI-ID 1024055896]

35. HLEBANJA, Gal, Huskić, Miroslav (somentor), Izdelava in tribološke lastnosti

polimernih kompozitov z dodatki graita in polidimetilsiloksana, diplomsko delo, Ljubljana, 2015. [COBISS.SI-ID 13910043]

36. NASTAV, Jožko, Kunaver, Matjaž (somentor), Lepljenje lesa z mešanicami

iz poliestra na osnovi utekočinjenega lesa in MUF lepila z visokofrekvenčnim segrevanjem (Wood bonding using high frequency heated mixtures based on polyester from liqueied wood and melamine urea formaldehyde adhesives), diplomski projekt, Ljubljana, 2015. [COBISS.SI-ID 2407305]

159

L 09

Laboratorij za anorgansko kemijo in teh-

nologijoLaboratory for Inorganic Chemistry and Technology


1. KRAJNC, Andraž, KOS, Tomaž, ZABUKOVEC LOGAR, Nataša, MALI, Gregor, “A simple

nMR-based method for studying the spatial distribution of linkers within mixed-linker metal-organic frameworks”, Angewandte Chemie, International Edition, 2015, vol. 54, iss. 36, str. 10535-10538. [COBISS.SI-ID 5735962]

2. BIRSA ČELIČ, Tadeja, GRILC, Miha, LIKOZAR, Blaž, NOVAK TUŠAR, Nataša, “In situ

generation of ni nanoparticles from metal-organic framework precursors and their use for biomass hydrodeoxygenation”, ChemSusChem, 2015, vol. 8, iss. 10, str. 1703-1710. [COBISS.SI-ID 5667866]

3. MARGETA, Karmen, CERJAN-STEFANOVIĆ, Šteica, KAUČIČ, Venčeslav, ZABUKOVEC

LOGAR, Nataša, “The potential of clinoptilolite-rich tufs from Croatia and Serbia for the reduction of toxic concentrations of cations and anions in aqueous solutions”, Applied Clay Science, 2015, vol. 116/117, str. 111-119. [COBISS.SI-ID 5756442]

4. DREV, Sandra, KOMELJ, Matej, MAZAJ, Matjaž, DANEU, Nina, REČNIK, Aleksander,

“Structural investigation of (130) twins and rutile precipitates in chrysoberyl crystals from Rio das Pratinhas in Bahia (Brazil)”, The American Mineralogist, 2015, vol. 100, no. 4, str. 861-871. [COBISS.SI-ID 28468775]

5. SADEGHPOUR, A., RAPPOLT, Michael, NTOUNTANIOTIS, Dimitrios,

CHATZIGEORGIOUG, Petros, VIRAS, Kyriakos, MEGARIOTIS, Grigorios, PAPADOPOULOS, M., SIAPI, Eleni, MALI, Gregor, MAVROMOUSTAKOS, Thomas Michael, “Comparative study of interactions of aliskiren and aT1 receptor antagonists with lipid bilayers”, Biochimica et Biophysica Acta, Biomembranes, 2015, vol. 1848, iss. 4, str. 984-994. [COBISS.SI-ID 5618202]

6. VIŽINTIN, Alen, LOZINŠEK, Matic, KUMAR CHELLAPPAN, Rajesh, FOIX, Dominique,

KRAJNC, Andraž, MALI, Gregor, DRAŽIĆ, Goran, GENORIO, Boštjan, DEDRYVÈRE, Rémi, DOMINKO, Robert, “Fluorinated reduced graphene oxide as an

interlayer in Li-S batteries”, Chemistry of Materials, 2015, vol. 27, no. 20, str. 7070-7081. [COBISS.SI-ID 29021479]

7. MAZAJ, Matjaž, ZABUKOVEC LOGAR, Nataša, “phase formation study of Ca-terephthalate

MOF-type materials”, Crystal Growth & Design, 2015, vol. 15, iss. 2, str. 617-624. [COBISS.SI-ID 5636890]

8. ÖZTÜRK, Zafer, HOFMANN, Jan P., LUTZ, Martin, MAZAJ, Matjaž, ZABUKOVEC LOGAR,

Nataša, WECKHUYSEN, Bert M, “Controlled synthesis of phase-pure zeolitic imidazolate framework Co-ZIF-9”, European Journal of Inorganic Chemistry, 2015, vol. 2015, iss. 9, str. 1625-1630. [COBISS.SI-ID 37864709]

9. MALI, Gregor, TREBOSC, Julien, MARTINEAU, Charlotte, MAZAJ, Matjaž, “Structural study

of Mg-based metal-organic frameworks by X-ray difraction, 1H, 13C and 25Mg solid-state nMR spectroscopy, and irst-principles calculations”, The Journal of Physical Chemistry. C, Nanomaterials and interfaces, 2015, vol. 119, iss. 14, str. 7831-7841. [COBISS.SI-ID 37867269]

10. DOMINKO, Robert, UBRANI M., Manu Patel, LAPORNIK, Vida, VIŽINTIN, Alen,

KOŽELJ, Matjaž, NOVAK TUŠAR, Nataša, ARČON, Iztok, STIEVANO, Lorenzo, AQUILANTI, Giuliana, “Analytical detection of polysulides in the presence of adsorption additives by operando X-ray absorption spectroscopy”, The Journal of Physical Chemistry. C, Nanomaterials and Interfaces, 2015, vol. 119, iss. 33, str. 19001-19010. [COBISS.Si-iD 5753370]

11. EL-ROZ, Mohamad, BAZIN, Philippe, BIRSA ČELIČ, Tadeja, ZABUKOVEC LOGAR,

Nataša, THIBAULT-STARZYK, Frederic, “Pore occupancy changes water/ethanol separation in a metal-organic framework-quantitative map of coadsorption by IR”, The Journal of Physical Chemistry. C, Nanomaterials and Interfaces, 2015, vol. 119, iss. 39, str. 22570-22576. [COBISS.SI-ID 5760026]

12. LAPORNIK, Vida, NOVAK TUŠAR, Nataša, RISTIĆ, Alenka, KUMAR CHELLAPPAN,

Rajesh, FOIX, Dominique, DEDRYVÈRE, Rémi, GABERŠČEK, Miran, DOMINKO, Robert, “Manganese modiied zeolite silicalite-1 as polysulphide sorbent in lithium sulphur batteries”, Journal of Power Sources, 2015, vol. 274, str. 1239-1248. [COBISS.SI-ID 5591322]

13. PALČIĆ, Ana, PUŠKARIĆ, Andreas, MAZAJ, Matjaž, ŽUNKOVIČ, Emanuela, ZABUKOVEC

LOGAR, Nataša, BRONIĆ, Josip, “Structural and degradation studies of a biocompatible Zn-L-tartrate metal-organic framework”, Journal of Solid State Chemistry, 2015, vol. 225, str. 59-64. [COBISS.Si-iD 5617690]


14. ŽUNKOVIČ, Emanuela, MAZAJ, Matjaž, MALI, Gregor, RANGUS, Mojca, DEVIC, Thomas,

SERRE, Christian, ZABUKOVEC LOGAR, Nataša, “Structural study of ni- or Mg-based complexes incorporated within Uio-66-nH2 framework and their impact on hydrogen sorption properties”, Journal of Solid State Chemistry, 2015, vol. 225, str. 209-215. [COBISS.SI-ID 5636634]

15. KOVAČIČ, Sebastijan, MAZAJ, Matjaž, JEŠELNIK, Marjan, PAHOVNIK, David,

ŽAGAR, Ema, SLUGOVC, Christian, ZABUKOVEC LOGAR, Nataša, “Synthesis and catalytic performance of hierarchically porous MiL-100(Fe)@polyHIPE hybrid membranes”, Macromolecular Rapid Communications, 2015, vol. 36, iss. 17, str. 1605-1611. [COBISS.SI-ID 5733914]

16. FAKIN, Tomaž, RISTIĆ, Alenka, MAVRODINOVA, Veselina, ZABUKOVEC

LOGAR, Nataša, “Highly crystalline binder-free ZSM-5 granules preparation”, Microporous and Mesoporous Materials, 2015, vol. 213, str. 108-117. [COBISS.SI-ID 5686554]


17. MAZAJ, Matjaž, KOVAČIČ, Sebastijan, ZABUKOVEC LOGAR, Nataša, “Design of

MoF heterostructures for expanding application opportunities”, V: ANTONIĆ JELIĆ, Tatjana (ur.), Proceedings of the 6th Croatian-Slovenian-Serbian Symposium on Zeolites, Šibenik, Croatia, October 1-3, 2015, Zagreb, Croatian Zeolite Association (CROZA), 2015, str. 7-10. [COBISS.SI-ID 5801754]

18. RANGUS, Mojca, MAZAJ, Matjaž, NOVAK TUŠAR, Nataša, ZABUKOVEC LOGAR,

Nataša, “X-ray absorption spectroscopy of porous materials”, V: ANTONIĆ JELIĆ, Tatjana (ur.), Proceedings of the 6th Croatian-Slovenian-Serbian Symposium on Zeolites, Šibenik, Croatia, October 1-3, 2015, Zagreb, Croatian Zeolite Association (CROZA), 2015, str. 37-40. [COBISS.SI-ID 5802266]

19. GSCHWANDER, Stefan, HAUSSMANN, Thomas, HAGELSTEIN, Georg, SOLE, Aran,

CABEZA, Luisa F., DIARCE, Gonzalo, HOHENAUER, Wolfgang, LAGER, Daniel, RISTIĆ, Alenka, RATHGEBER, Christoph, HENNEMANN, Peter, MEHLING, Harald, PEÑALOSA, Conchita, LAZARO, Ana, “Standardization of PCM characterization via DSC”, V: The 13th International Conference on Energy Storage, May 19-21, 2015, Beijing, China, Greenstock, 2015, str. 1-8. [COBISS.SI-ID 5818394]

20. KRAJNC, Andraž, KOS, Tomaž, ZABUKOVEC LOGAR, Nataša, MALI, Gregor, “The

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L 10Laboratorij za kemijo materialovLaboratory for Materials Chemistry


1. ZABILSKY, Maxim, DJINOVIĆ, Petar, TCHERNYCHOVA, Elena, TKACHENKO, Olga P.,

KUSTOV, Leonid M., PINTAR, Albin, “Nanoshaped Cuo/Ceo2 materials: efect of the exposed ceria surfaces on catalytic activity in n2o decomposition reaction”, ACS Catalysis, 2015, vol. 5, iss. 9, str. 5357-5365. [COBISS.SI-ID 5747482]

2. NAPAST, Viktor, MOŠKON, Jože, HOMŠAK, Marko, PETEK, Aljana, GABERŠČEK, Miran,

“preparation and electrochemical characterization of aluminium liquid battery cells with two diferent electrolytes (naCl-baCl2-alF3-naF and LiF-alF3-baF2)”, Acta Chimica Slovenica, 2015, vol. 62, no. 4, str. 796-804. [COBISS.SI-ID 19298838]

3. WALKER, Julian, BRYANT, Peter, KURUSINGAL, Valsala, SORRELL, Charles

C., KUŠČER, Danjela, DRAŽIĆ, Goran, BENČAN, Andreja, VALANOOR, Nagarajan, ROJAC, Tadej, “Synthesis-phase-composition relationship and high electric-ield-induced electromechanical behavior of samarium-modiied BiFeO3 ceramics”, Acta Materialia, 2015, str. 149-159. [COBISS.SI-ID 28038439]

4. KRIVEC, Matic, POHAR, Andrej, LIKOZAR, Blaž, DRAŽIĆ, Goran, “Hydrodynamics,

mass transfer, and photocatalytic phenol selective oxidation reaction kinetics in a ixed TiO2 microreactor”, AIChE Journal, 2015, vol. 61, iss. 2, str. 572-581. [COBISS.SI-ID 5567258]

5. AW, Moom Sinn, ZORKO, Milena, DJINOVIĆ, Petar, PINTAR, Albin, “Insights into durable

NiCo catalysts on β-SiC/CeZrO2 and γ-Al2o3/CeZro2 advanced supports prepared from facile methods for CH4-Co2 dry reforming”, Applied Catalysis. B, Environmental, 2014, vol. 164, str. 100-112. [COBISS.SI-ID 37574917]

6. ZABILSKY, Maxim, DJINOVIĆ, Petar, ERJAVEC, Boštjan, DRAŽIĆ, Goran, PINTAR, Albin,

“Small Cuo clusters on Ceo2 nanospheres as active species for catalytic n2O decomposition”, Applied Catalysis. B, Environmental, 2015, vol. 163, str. 113-122. [COBISS.SI-ID 5531930]

7. VASILJEVIĆ, Jelena, JERMAN, Ivan, JAKŠA, Gregor, ALONGI, Jenny, MALUCELLI, Giulio,

ZORKO, Milena, TOMŠIČ, Brigita, SIMONČIČ, Barbara, “Functionalization of cellulose ibres


with DOPO-polysilsesquioxane lame retardant nanocoating”, Cellulose, 2015, vol. 22, no. 3, str. 1893-1910. [COBISS.SI-ID 3109744]

8. TOMŠIČ, Brigita, JOVANOVSKI, Vasko, OREL, Boris, MIHELČIČ, Mohor, KOVAČ,

Janez, FRANCETIČ, Vojmir, SIMONČIČ, Barbara, “bacteriostatic photocatalytic properties of cotton modiied with TiO2 and Tio2/aminopropyltriethoxysilane”, Cellulose, 2015, vol. 22, no. 5, str. 3441-3463. [COBISS.SI-ID 3153520]

9. ZORKO, Milena, VASILJEVIĆ, Jelena, TOMŠIČ, Brigita, SIMONČIČ, Barbara, GABERŠČEK,

Miran, JERMAN, Ivan, “Cotton iber hot spot in situ growth of Stöber particles”, Cellulose, 2015, vol. 22, iss. 6, str. 3597-3607. [COBISS.SI-ID 5767706]

10. MCCALLA, Eric, BUDIČ, Bojan, DOMINKO, Robert, et al., “Novel complex stacking of

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11. AMISSE, Robin, SOUGRATI, Moulay Tahar, STIEVANO, Lorenzo, DAVOISNE, C.,

DRAŽIĆ, Goran, BUDIČ, Bojan, DOMINKO, Robert, MASQUELIER, Christian, “Singular structural and electrochemical properties in highly defective LiFepo4 powders”, Chemistry of Materials, 2015, vol. 27, iss. 12, str. 4261-4273. [COBISS.SI-ID 5728026]

12. VIŽINTIN, Alen, LOZINŠEK, Matic, KUMAR CHELLAPPAN, Rajesh, FOIX, Dominique,

KRAJNC, Andraž, MALI, Gregor, DRAŽIĆ, Goran, GENORIO, Boštjan, DEDRYVÈRE, Rémi, DOMINKO, Robert, “Fluorinated reduced graphene oxide as an interlayer in Li-S batteries”, Chemistry of Materials, 2015, vol. 27, no. 20, str. 7070-7081. [COBISS.SI-ID 29021479]

13. SCHIPPER, Florian, VIŽINTIN, Alen, REN, Jiawen, DOMINKO, Robert, FELLINGER,

Tim-Patrick, “Biomass-derived heteroatom-doped carbon aerogels from a salt melt sol-gel synthesis and their performance in Li-S batteries”, ChemSusChem, 2015, vol. 8, iss. 18, str. 3077-3083. [COBISS.SI-ID 5771802]

14. BITENC, Jan, PIRNAT, Klemen, BANČIČ, Tanja, GABERŠČEK, Miran, GENORIO,

Boštjan, RANDON-VITANOVA, Anna, DOMINKO, Robert. “anthraquinone-based polymer as cathode in rechargeable magnesium batteries”, ChemSusChem, 2015, vol. 8, iss. 24, str. 4128-4132. [COBISS.SI-ID 5832474]

15. HAJZERI, Metka, BAŠNEC, Kristina, BELE, Marjan, KLANJŠEK GUNDE, Marta,

“Inluence of developer on structural, optical and thermal properties of a benzoluoran-based thermochromic composite”, Dyes and Pigments, 2015, vol. 113, str. 754-762. [COBISS.SI-ID 5594394]

16. JOVANOVIČ, Primož, PAVLIŠIČ, Andraž, BELE, Marjan, HODNIK, Nejc, GABERŠČEK,

Miran, “Evaluation of oxygen reduction activity of non-ideal Pt based catalyst thin ilms”, ECS Transactions, vol. 68, iss. 3, str. 141-152. [COBISS.Si-iD 5827866]

17. MOŠKON, Jože, PIVKO, Maja, DOMINKO, Robert, GABERŠČEK, Miran, “Accurate

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18. MALOVRH REBEC, Katja, KLANJŠEK GUNDE, Marta, KNEZ, Friderik, “Integralni

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19. AW, Moom Sinn, ZORKO, Milena, OSOJNIK ČRNIVEC, Ilja Gasan, PINTAR, Albin,

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20. WENCKA, Magdalena, SCHWERIN, Judith, KLANJŠEK, Martin, KRNEL, Mitja, VRTNIK,

Stanislav, KOŽELJ, Primož, JELEN, Andreja, KAPUN, Gregor, JAGLIČIĆ, Zvonko, SHARAFUTDINOV, Irek, CHORKENDORFF, Ib, GILLE, Peter, DOLINŠEK, Janez, “Physical properties of the GaPd2 intermetallic catalyst in bulk and nanoparticle morphology”, Intermetallics, 2015, vol. 67, str. 35-46. [COBISS.SI-ID 28757799]

21. MALOVRH REBEC, Katja, KLANJŠEK GUNDE, Marta, BIZJAK, Grega, KOBAV, Matej

Bernard, “White LED compared with other light sources: age-dependent photobiological efects and parameters for evaluation”, International Journal of Occupational Safety and Ergonomics, 2015, vol. 21, iss. 3, str. 391-398. [COBISS.SI-ID 5828122],

22. ŠARIĆ, Ankica, ŠTEFANIĆ, Goran, DRAŽIĆ, Goran, GOTIĆ, Marijan, “Solvothermal

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23. TAVARES, Ana P. M., SILVA, Cláudia G., DRAŽIĆ, Goran, SILVA, Adrián M.

T., LOUREIRO, José M., FARIA, Joaquim Luís, “Laccase immobilization over multi-walled carbon nanotubes: kinetic, thermodynamic and stability studies”, Journal of Colloid and Interface Science, vol. 454, str. 52-60. [COBISS.SI-ID 28593447]

24. HORVAT, Maša, VIDMAR, Tjaša, MAČEK, Marijan, KLANJŠEK GUNDE, Marta,

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25. ISTENIČ, Katja, BALANČ, Bojana D., DJORDJEVIĆ, Verica, BELE, Marjan,

NEDOVIĆ, Viktor, BUGARSKI, Branko M., POKLAR ULRIH, Nataša, “Encapsulation of resveratrol into Ca-alginate submicron particles”, Journal of Food Engineering, 2015, vol. 167, str. 196-203. [COBISS.Si-iD 4530296]

26. BROWNRIGG, Alexander W., MOUNTJOY, Gavin, CHADWICK, Alan V., ALFREDSSON,

Maria, BRAS, Wim, BILLAUD, Juliette, ARMSTRONG, A. Robert, BRUCE, Peter G., DOMINKO, Robert, KELDER, Erik M, “In situ Fe K-edge X-ray absorption spectroscopy study during cycling of Li2FeSio4 and Li2.2Fe0.9Sio4 Li ion battery materials”, Journal of Materials Chemistry. A, Materials for Energy and Sustainability, 2015, vol. 3, iss. 14, str. 7314-7322. [COBISS.SI-ID 37874949]

27. ČEPIN, Marjeta, JOVANOVSKI, Vasko, PODLOGAR, Matejka, CRNJAK OREL,

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28. URŠIČ, Hana, BENČAN, Andreja, DRAŽIĆ, Goran, ESTEVES, Giovanni, JONES, Jacob

L., USHER, Tedi-Marie, ROJAC, Tadej, DRNOVŠEK, Silvo, DELUCA, Marco, JOUIN, Jenny, BOBNAR, Vid, TREFALT, Gregor, HOLC, Janez, MALIČ, Barbara, “Unusual structural-disorder stability of mechanochemically derived-pb(Sc0.5nb0.5)o3.”, Journal of Materials Chemistry. C, Materials for Optical and Electronic Devices, 2015, vol. 3, no. 39, str. 10309-10315. [COBISS.SI-ID 28843815]

29. PARAMO, Jorge Antonio, STRZHEMECHNY, Yuri M., ENDO, Tamio, CRNJAK

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30. MEDIĆ, Mina M., BRIK, Mikhail G., DRAŽIĆ, Goran, ANTIĆ, Željka M., LOJPUR, Vesna

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31. HODNIK, Nejc, JOVANOVIČ, Primož, PAVLIŠIČ, Andraž, JOZINOVIĆ, Barbara,

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ŠALA, Martin, HOČEVAR, Samo B., GABERŠČEK, Miran, “New insights into corrosion of ruthenium and ruthenium oxide nanoparticles in acidic media”, The Journal of Physical Chemistry. C, Nanomaterials and Interfaces, 2015, vol. 119, iss. 18, str. 10140-10147. [COBISS.SI-ID 5687322]

32. DOMINKO, Robert, UBRANI M., Manu Patel, LAPORNIK, Vida, VIŽINTIN, Alen,

KOŽELJ, Matjaž, NOVAK TUŠAR, Nataša, ARČON, Iztok, STIEVANO, Lorenzo, AQUILANTI, Giuliana, “Analytical detection of polysulides in the presence of adsorption additives by operando X-ray absorption spectroscopy”, The Journal of Physical Chemistry. C, Nanomaterials and Interfaces, 2015, vol. 119, iss. 33, str. 19001-19010. [COBISS.Si-iD 5753370]

33. VELIŠČEK, Žiga, SLEMENIK PERŠE, Lidija, DOMINKO, Robert, KELDER, Erik M.,

GABERŠČEK, Miran, “Preparation, characterisation and optimisation of lithium battery anodes consisting of silicon synthesised using Laser assisted Chemical Vapour Pyrolysis”, Journal of Power Sources, 2015, vol. 273, str. 380-388. [COBISS.SI-ID 5600026]

34. LAPORNIK, Vida, NOVAK TUŠAR, Nataša, RISTIĆ, Alenka, KUMAR CHELLAPPAN,

Rajesh, FOIX, Dominique, DEDRYVÈRE, Rémi, GABERŠČEK, Miran, DOMINKO, Robert, “Manganese modiied zeolite silicalite-1 as polysulphide sorbent in lithium sulphur batteries”, Journal of Power Sources, 2015, vol. 274, str. 1239-1248. [COBISS.SI-ID 5591322]

35. ROGELJ, Nina, KLANJŠEK GUNDE, Marta, “Modelling relectance factor for special

efect pigment coatings”, Journal of Print and Media Technology Research, 2015, vol. 4, no. 4, str. 247-256. [COBISS.SI-ID 5848346]

36. UKMAR GODEC, Tina, KAPUN, Gregor, ZASLANSKY, Paul, FAIVRE, Damien, “The

giant keyhole limpet radular teeth: a naturally-grown harvest machine”, Journal of Structural Biology, 2015, vol. 192, iss. 3, str. 392-402. [COBISS.Si-iD 5817882]

37. MCCALLA, Eric, SOUGRATI, Moulay Tahar, ROUSSE, Gwenaelle, JAMSTORP BERG, Erik,

ABAKUMOV, Artem M., RECHAM, Nadir, RAMESHA, Kannadka, SATHIYA, Mariyappan, DOMINKO, Robert, VAN TENDELOO, Gustaaf, NOVÁK, Petr, TARASCON, Jean-Marie, “Understanding the roles of anionic redox and oxygen release during electrochemical cycling of lithium-rich layered Li4FeSbo6”, Journal of the American Chemical Society, 2015, vol. 137, iss. 14, str. 4804-4814. [COBISS.SI-ID 5685274]

38. KUPEC, Alja, URŠIČ, Hana, FRUNZĂ, Raluca-Camelia, TCHERNYCHOVA, Elena, MALIČ,

Barbara, “Microstructure-dependent leakage-


current properties of solution-derived (K0.5na0.5)nbo3 thin ilms”, Journal of the European Ceramic Society, 2015, vol. 35, no. 13, str. 3507-3511. [COBISS.SI-ID 28709927]

39. SCHINDLER, Peter, LOGAR, Manca, PROVINE, J., PRINZ, Friedrich B., “Enhanced

step coverage of Tio2 deposited on high aspect ratio surfaces by plasma enhanced atomic layer deposition”, Langmuir, vol. 31, issue 18, str. 5057-5062. [COBISS.SI-ID 28525095]

40. CONRADI, Marjetka, INTIHAR, Gaber, ZORKO, Milena, “Mechanical and wetting

properties of nanosilica/epoxy-coated stainless steel (Mehanske in površinske lastnosti premaza iz silicijevih nanodelcev in epoksidne smole na nerjavnem jeklu)”, Materiali in tehnologije, 2015, letn. 49, št. 4, str. 613-618. [COBISS.SI-ID 1152682]

41. ANŽLOVAR, Alojz, MARINŠEK, Marjan, CRNJAK OREL, Zorica, ŽIGON, Majda, “Basic

zinc carbonate as a precursor in the solvothermal synthesis of nano-zinc oxide”, Materials & Design, 2015, vol. 86, str. 347-353. [COBISS.SI-ID 5800730]

42. SLEMENIK PERŠE, Lidija, MIHELČIČ, Mohor, OREL, Boris, “Rheological and optical

properties of solar absorbing paints with poSS-treated pigments”, Materials Chemistry and Physics, 2015, vol. 149/150, str. 368-377. [COBISS.SI-ID 5607706]

43. PETROVIĆ, Suzana, MILOVANOVIĆ, D., SALATIĆ, Branislav, PERUŠKO,

Davor, KOVAČ, Janez, DRAŽIĆ, Goran, MITRIĆ, Miodrag, TRTICA, Milan, JELENKOVIĆ, Branislav, “Composition and structure of niau nanoparticles formed by laser ablation of ni target in au colloidal solution”, Materials Chemistry and Physics, vol. 166, 2015, str. 223-232. [COBISS.SI-ID 29031463]

44. ČEPIN, Marjeta, HRIBAR, Gorazd, CASERMAN, Simon, CRNJAK OREL, Zorica,

“Morphological impact of zinc oxide particles on the antibacterial activity and human epithelia toxicity”, Materials Science & Engineering. C, Biomimetic Materials, Sensors and Systems, 2015, vol. 52, str. 204-211. [COBISS.SI-ID 5676570]

45. BROVČ, Goran, DRAŽIĆ, Goran, KARPE, Blaž, ĐORĐEVIĆ, Igor, LOJEN, Gorazd,

KOSEC, Borut, BIZJAK, Milan, “Synthesis and characterization of hardened Cu-Fe-Ni-P alloy”, Metalurgija, 2015, vol. 54, no. 1, str. 51-54. [COBISS.Si-iD 1507167]

46. ROGELJ, Nina, PENTTINEN, Niko, KLANJŠEK GUNDE, Marta, “Evaluation of complex

gonioapparent samples using a bidirectional spectrometer”, Optics Express, 2015, vol. 23, no. 17, str. 22004-22011. [COBISS.SI-ID 5749274]

47. MOZETIČ, Miran, PRIMC, Gregor, VESEL, Alenka, ZAPLOTNIK, Rok, MODIC, Martina,

JUNKAR, Ita, RECEK, Nina, KLANJŠEK GUNDE, Marta, GUHY, Lukus, SUNKARA, Mahendra K., GORJANC, Marija, STANA-KLEINSCHEK, Karin, et al., “Application of extremely non-equilibrium plasmas in the processing of nano and biomedical materials”, Plasma Sources Science & Technology, 2015, vol. 24, no. 1, str. 015026-1-015026-12. [COBISS.SI-ID 28274471]

48. CONRADI, Marjetka, KOCIJAN, Aleksandra, ZORKO, Milena, VERPOEST, Ignaas,

“Damage resistance and anticorrosion properties of nanosilica-illed epoxy-resin composite coatings”, Progress in Organic Coatings”, 2015, vol. 80, str. 20-26. [COBISS.SI-ID 1099946]

49. MCCALLA, Eric, ABAKUMOV, Artem M., SAUBANÈRE, Matthieu, FOIX, Dominique,

BERG, Erik J., ROUSSE, Gwenaelle, DOUBLET, Marie-Liesse, GONBEAU, Danielle, NOVÁK, Petr, VAN TENDELOO, Gustaaf, DOMINKO, Robert, TARASCON, Jean-Marie, ”Visualization of O-O peroxo-like dimers in high-capacity layered oxides for Li-ion batteries”, Science, 2015, vol. 350, no. 6267, str. 1516-1521. [COBISS.SI-ID 5828378]

50. HAJZERI, Metka, SLEMENIK PERŠE, Lidija, KOŽELJ, Matjaž, OREL, Boris, ŠURCA VUK,

Angela, “Structural investigation of ormolytes for EC devices: IR spectroscopic characterization and relation between viscoelastic properties, conductivity and optical modulation”, Solar Energy Materials and Solar Cells, 2015, vol. 139, str. 51-64. [COBISS.SI-ID 5675802]

51. MIHELČIČ, Mohor, FRANCETIČ, Vojmir, KOVAČ, Janez, ŠURCA VUK, Angela, OREL,

Boris, KUNIČ, Roman, PEROS, Dimitrios, “Novel sol-gel based selective coatings: from coil absorber coating to high power coating”, Solar Energy Materials and Solar Cells, 2015, vol. 140, str. 232-248. [COBISS.SI-ID 7094113]

52. PERUŠKO, Davor, KOVAČ, Janez, PETROVIĆ, Suzana, DRAŽIĆ, Goran, MITRIĆ, Miodrag,

MILOSAVLJEVIĆ, Momir, CIGANOVIĆ, J., “Intermixing and phase transformations in al/Ti multilayer system induced by picosecond laser beam”, Thin Solid Films, 2015, str. 1-11. [COBISS.SI-ID 28670247]

53. FAIVRE, Damien, UKMAR GODEC, Tina, “From bacteria to mollusks: the principles

underlying the biomineralization of iron oxide materials”, Angewandte Chemie, 2015, vol. 54, iss. 16, str. 4728-4747. [COBISS.SI-ID 5677850]

54. TREJO, Orlando, LOGAR, Manca, et al., “Quantifying geometric strain at the

pbS QD-Tio2 anode interface and its efect on electronic structures”, Nano Letters, 2015, vol. 15, iss. 12, str. 7829-7836. [COBISS.SI-ID 29021991]

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55. PINTAR, Albin, KAPLAN, Renata, ERJAVEC, Boštjan, DRAŽIĆ, Goran, GRDADOLNIK,

Jože, “Novel anatase/rutile/brookite TiO2 nanocomposite with superior mineralization potential for photocatalytic degradation of water pollutants”, V: Book of Proceedings, Athens, 2015, str. 1-3. [COBISS.SI-ID 5809178]

56. PRESEČNIK, Mojca, REČNIK, Aleksander, DRAŽIĆ, Goran, BERNIK, Slavko,

“preliminary study of the stability of thermoelectric Ca3Co4o9-based ceramics”, V: 51th international Conference on Microelectronics, Devices and Materials and the Workshop on Terahertz and Microwave Systems, September 23 – 25, 2015, Bled, Slovenia, TRONTELJ, Janez (ur.), TOPIČ, Marko (ur.), SEŠEK, Aleksander (ur.), Conference Proceedings 2015, Ljubljana, MIDEM - Society for Microelectronics, Electronic Components and Materials, 2015, str. 215-220. [COBISS.SI-ID 28890407]

57. UBRANI M., Manu Patel, DOMINKO, Robert, “Comparative study of polysulide

encapsulation in the diferent carbons performed by analytical tools”, V: Proceedings of the 39th International Conference on Advanced Ceramics and Composites, January 25-30, 2015, Daytona Beach, Florida, Daytona Beach, The American Ceramic Society, 2015, str. 1-16. [COBISS.SI-ID 5807130]

58. GOLJA, Viviana, DRAŽIĆ, Goran, LORENZETTI, Martina, ZALAZNIK, Maša,

KALIN, Mitjan, NOVAK, Saša, et al., “Matrix degradation as a mechanism for nanoparticles release from food contact materials”, V: 7. študentska konferenca Mednarodne podiplomske šole Jožefa Stefana (7th Jožef Stefan International Postgraduate School Students‘ Conference, 20.-22. 5. 2015, Ljubljana, REŠETIČ, Andraž (ur.), et al., Zbornik, 2. del ( Proceedings, part 2), Ljubljana, Mednarodna podiplomska šola Jožefa Stefana, 2015, zv. 1, str. 198-206. [COBISS.SI-ID 28609063]


59. CARABINEIRO, S. A. C., SILVA, Adrián M. T., SILVA, Cláudia G., SEGUNDO, Ricardo

A., DRAŽIĆ, Goran, FIGUEIREDO, José Luís, FARIA, Joaquim Luís, “Titanium dioxide nanoparticle based materials for photocatalytic conversion of water pollutants”, V: MISHRA, Amit Kumar (ur.), Nanocomposites in Wastewater Treatment, Boca Raton, FL, CRC Press, Pan Stanford Publishing, 2015, str. 247-269. [COBISS.SI-ID 28593959]

60. DOMINKO, Robert, “Orthosilicate-based cathode materials for lithium-ion batteries”,

V: PRABAHARAN, S. R. S. (ur.), Nanotechnology in Advanced Electrochemical Power Sources, Singapore, Pan Stanford, cop. 2015, str. 23-50. [COBISS.SI-ID 5623322]


61. PAVLIŠIČ, Andraž, Optimizacija priprave katalizatorjev iz Pt-zlitin na ogljikovem

nosilcu za nizkotemperaturne gorivne celice, doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 281403392]

62. MIHELČIČ, Mohor, Preparation and properties of spectrally selective,

electrochromic and photocatalytic coatings from dispersions of nanoparticles (Priprava in lastnosti spektralno selektivnih, elektrokromnih in fotokatalitskih prevlek iz disperzij nanodelcev), doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 282764032]

63. ČEPIN, Marjeta, Priprava nanodelcev cinkovega oksida in njihova citotoksičnost,

doktorska disertacija, Ljubljana, 2015. [CoBiSS.Si-iD 282675456]

64. LAPORNIK, Vida, Študij nekonvencionalnih komponent za litij žveplove akumulatorje,

doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 1536311235]

65. HORVAT, Maša, Tisk in analiza pasivnih elektronskih elementov, doktorska disertacija,

Ljubljana, 2015. [COBISS.SI-ID 279444992]


66. BELE, Marjan, DOMINKO, Robert, VIDAL-ABARCA GARRIDO, Candela, PIVKO, Maja,

GABERŠČEK, Miran, Cathode materials for lithium ion accumulators based on lithiated vanadium oxide compounds, patent EP 2478579 (B1), 2015-06-03, München, World Intellectual Property Organization, International Bureau, 2015. [COBISS.Si-iD 4258074]

67. BELE, Marjan, GABERŠČEK, Miran, KAPUN, Gregor, HODNIK, Nejc, HOČEVAR,

Stanko, Electrocatalytic composite(s), associated composition(s), and associated process(es), patent US 9147885 (B2), 2015-09-29, Alexandria, United State Patent and Trademark Oice, 2015. [COBISS.SI-ID 4902938]

68. VIŽINTIN, Alen, GENORIO, Boštjan, GABERŠČEK, Miran, DOMINKO, Robert,

Kemijsko modiicirani reducirani grafenov oksid


v vlogi separatorja v žveplovih akumulatorjih, patent SI 24590 (A), 2015-06-30, Ljubljana, Urad RS za intelektualno lastnino, 2015. [COBISS.SI-ID 5420826]

69. OREL, Boris, KOŽELJ, Matjaž, JERMAN, Ivan, MIHELČIČ, Mohor, SPREIZER,

Helena, SLEMENIK PERŠE, Lidija, Multilayer color coatings with low solar absorption and high heat emission, patent AT 510371 (B1) 2015-06-15, Wien, Österreichisches Petentamt, 2015. [COBISS.SI-ID 4929050]


70. ISRN Nanotechnology (Print), Crnjak Orel, Zorica (član uredniškega odbora 2012-),

Cairo, Hindawi Publishing Corporation, ISSN 2090-6064. [COBISS.SI-ID 518574105]

71. World Journal of Engineering, Crnjak Orel, Zorica (član uredniškega odbora 2008-),

Toronto, Sun Light Publishing Canada, ISSN 1708-5284. [COBISS.SI-ID 4157466]


72. GABERŠČEK, Miran (intervjuvanec), “Nekoč morda magnezijeve baterije za vozila”, Delo,

5. nov. 2015, leto 57, št. 257, str. 14. [COBISS.SI-ID 5816090]

73. KAJFEŽ-BOGATAJ, Lučka (intervjuvanec), GABERŠČEK, Miran (intervjuvanec), SELJAK,

Iztok (intervjuvanec), NOVAK, Peter (intervjuvanec), “Klimatske spremembe med obveznostmi in priložnostmi”, Manager, april 2015, št. 2, str. 17-19. [COBISS.SI-ID 8157817]

74. DOMINKO, Robert (intervjuvanec), Baterije z višjo energijsko gostoto, sodelovanje v radijski

oddaji Pogled v znanost, ARS, 28. 12. 2015. [COBISS.Si-iD 5839130]

75. KLANJŠEK GUNDE, Marta (intervjuvanec), Kaj svetloba pomeni za človeka? oddaja

Pogled v znanost, Radio Slovenija, tretji program (ARS), 23. 3. 2015. [COBISS.SI-ID 5676058]

76. DOMINKO, Robert (intervjuvanec), VIŽINTIN, Alen (intervjuvanec), GABERŠČEK,

Miran (intervjuvanec), Slovenci uspeli pridobiti evropski projekt Helis, prispevek v oddaji Odmevi, RTV SLO 1, 11. 5. 2015. [COBISS.SI-ID 5772058]


77. ROGELJ, Nina, Klanjšek Gunde, Marta (mentorica), Goniospectrometric analysis

of optically complex samples, a study of difraction gratings, optically variable devices, and coatings

with special efect pigments, academic dissertation, Joensuu (Finska), 2015. [COBISS.SI-ID 5830170]

78. MIHELČIČ, Mohor, Orel, Boris (mentor), Preparation and properties of spectrally

selective, electrochromic and photocatalytic coatings from dispersions of nanoparticles (Priprava in lastnosti spektralno selektivnih, elektrokromnih in fotokatalitskih prevlek iz disperzij nanodelcev), doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 282764032]

79. LAPORNIK, Vida, Gaberšček, Miran (mentor), Študij nekonvencionalnih

komponent za litij žveplove akumulatorje, doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 1536311235]

80. HORVAT, Maša, Klanjšek Gunde, Marta (mentorica), Tisk in analiza pasivnih

elektronskih elementov, doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 279444992]

81. PAVLIŠIČ, Andraž, Gaberšček, Miran (mentor), Optimizacija priprave

katalizatorjev iz Pt-zlitin na ogljikovem nosilcu za nizkotemperaturne gorivne celice, doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 281403392]

82. ČEPIN, Marjeta, Crnjak Orel, Zorica (mentorica), Priprava nanodelcev cinkovega

oksida in njihova citotoksičnost, doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 282675456]

83. ŠVARA FABJAN, Erika, Gaberšček, Miran (somentor), Funkcionalizacija površine

organskih pigmentov za trajne in barvno obstojne premaze, doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 280344832]

84. PUCKO, Danijela, Dražić, Goran (mentor), New analytical methods for determination

of TiO2-based thin ilm photoactivity (Nove analizne metode za določanje fotoaktivnosti tankih ilmov na osnovi TiO2), magistrsko delo, Ljubljana, 2015. [COBISS.SI-ID 29166375]

85. GATALO, Matija, Gaberšček, Miran (mentor), Optimizacija PtCu3/C katalizatorja

in stabilizacija z zlatom, magistrsko delo, Ljubljana, 2015. [COBISS.SI-ID 1536490179]

86. ZAKŠEK, Simon, Gaberšček, Miran (mentor), Dopiranje titan oksidnih nanocevk za litij

ionske akumulatorje, diplomsko delo, Ljubljana, 2015. [COBISS.SI-ID 1536581827]

87. JOŠT, Jaka, Gaberšček, Miran (mentor), Funkcionalizacija materialov za litij-žveplove

akumulatorja, diplomsko delo, Ljubljana, 2015. [COBISS.SI-ID 1536508611]

167

L 11Laboratorij za molekularno biologijo in nanobiotehnologijoLaboratory for Molecular Biology and Na-

nobiotechnology


1. BERNE, Sabina, KOVAČIČ, Lidija, SOVA, Matej, KRAŠEVEC, Nada, GOBEC, Stanislav, KRIŽAJ,

Igor, KOMEL, Radovan, “Benzoic acid derivatives with improved antifungal activity: design, synthesis, structure-activity relationship (SAR) and CYP53 docking studies”, Bioorganic & Medicinal Chemistry, 2015, vol. 23, iss. 15, str. 4264-4276. [COBISS.SI-ID 8189049]

2. WEBER, Daniel, YAO, Shenggen, ROJKO, Nejc, ANDERLUH, Gregor, LYBRAND, Terry,

DOWNTON, Matthew, WAGNER, John, SEPAROVIC, Frances, “Characterization of the lipid-binding site of Equinatoxin ii by nMR and molecular dynamics simulation”, Biophysical Journal, 2015, vol. 108, iss. 8, str. 1987-1996. [COBISS.SI-ID 5834010]

3. METKAR, Sunil, MARCHIORETTO, Marta, ANTONINI, Valeria, LUNELLI, Lorenzo, WANG,

Baikun, GILBERT, Robert J., ANDERLUH, Gregor, ROTH, R., POOGA, Margus, PARDO, Julian, HEUSER, J. E., DALLA SERRA, Mauro, FROELICH, Christopher J., “Perforin oligomers form arcs in cellular membranes: a locus for intracellular delivery of granzymes”, Cell Death and Diferentiation, 2015, vol. 22, iss. 1, str. 74-85. [COBISS.SI-ID 5680666]

4. MAKINO, Asami, ABE, Mitsuhiro, MURATE, Motohide, INABA, Takehiko, YILMAZ, Neval,

HULLIN-MATSUDA, Francoise, KISHIMOTO, Takuma, SCHIEBER, Nicole L., TAGUCHI, Tomohiko, ARAI, Hiroyuki, ANDERLUH, Gregor, PARTON, Robert G., KOBAYASHI, Toshihide, “Visualization of the heterogeneous membrane distribution of sphingomyelin associated with cytokinesis, cell polarity, and sphingolipidosis”, The FASEB Journal, 2015, vol. 29, no. 2, str. 477-493. [COBISS.SI-ID 5680922]

5. MIKLAVIČ, Špela, KOGOVŠEK, Polona, HODNIK, Vesna, KOROŠEC, Jernej,

KLADNIK, Aleš, ANDERLUH, Gregor, GUTIÉRREZ-AGUIRRE, Ion, MAČEK, Peter, BUTALA, Matej, “The pseudomonas aeruginosa RhlR-controlled aegerolysin RahU is a low-ainity rhamnolipid-binding protein”, FEMS Microbiology Letters, 2015, vol. 362, issue 10, str. 1-8. [COBISS.SI-ID 3447631]

6. KULKARNI, Mukta Vishwanath, FLAŠKER, Ajda, LOKAR, Maruša, MRAK POLJŠAK,

Katjuša, MAZARE, Anca, ARTENJAK, Andrej, ČUČNIK, Saša, KRALJ, Slavko, VELIKONJA, Aljaž, SCHMUKI, Patrik, KRALJ-IGLIČ, Veronika, SODIN-ŠEMRL, Snežna, IGLIČ, Aleš, “Binding of plasma proteins to titanium dioxide nanotubes with diferent diameters”, International Journal of Nanomedicine, 2015, vol. 10, str. 1359-1373. [COBISS.SI-ID 28395303]

7. NANEH, Omar, BEDINA ZAVEC, Apolonija, PAHOVNIK, David, ŽAGAR, Ema, GILBERT,

Robert J., KRIŽAJ, Igor, ANDERLUH, Gregor, “An optimized protocol for expression and puriication of murine perforin in insect cells”, Journal of Immunological Methods, 2015, vol. 426, str. 19-28. [COBISS.SI-ID 28754215]

8. ČEPIN, Marjeta, HRIBAR, Gorazd, CASERMAN, Simon, CRNJAK OREL, Zorica, “Morphological

impact of zinc oxide particles on the antibacterial activity and human epithelia toxicity”, Materials Science & Engineering. C, Biomimetic Materials, Sensors and Systems, 2015, vol. 52, str. 204-211. [COBISS.SI-ID 5676570]

9. FORNELOS, Nadine, BUTALA, Matej, HODNIK, Vesna, ANDERLUH, Gregor, BAMFORD, Jaana

K., SALAS, Margarita, “Bacteriophage GIL01 gp7 interacts with host Lexa repressor to enhance Dna binding and inhibit RecA-mediated auto-cleavage”, Nucleic Acids Research, 2015, vol. 43, issue 15, str. 7315-7329. [COBISS.SI-ID 3520847]

10. CAJNKO, Miša Mojca, MARUŠIČ, Maja, KISOVEC, Matic, ROJKO, Nejc, BENČINA,

Mojca, CASERMAN, Simon, ANDERLUH, Gregor, “Listeriolysin O afects the permeability of Caco-2 monolayer in a pore-dependent and Ca2+-independent manner”, PloS one, 2015, vol. 10, iss. 6, str. 1-21, e0130471. [COBISS.SI-ID 5737242]

11. PODOBNIK, Marjetka, MARCHIORETTO, Marta, ZANETTI, Manuela, BAVDEK, Andrej,

KISOVEC, Matic, CAJNKO, Miša Mojca, LUNELLI, Lorenzo, DALLA SERRA, Mauro, ANDERLUH, Gregor, “Plasticity of lysteriolysin O pores and its regulation by pH and unique histidine”, Scientiic Reports, 2015, vol. 5, str. 1-10. [COBISS.SI-ID 5679642]

12. ROJKO, Nejc, ANDERLUH, Gregor, “How lipid membranes afect pore forming toxin

activity”, Accounts of Chemical Research, 2015, vol. 48, iss. 12, str. 3073-3079. [COBISS.SI-ID 5833754]

13. NOVAK, Maruša, KRAŠEVEC, Nada, SKOČAJ, Matej, MAČEK, Peter, ANDERLUH, Gregor,

SEPČIĆ, Kristina, “Fungal aegerolysin-like proteins: distribution, activities, and applications”, Applied Microbiology and Biotechnology, 2015, vol. 99, iss. 2, str. 601-610. [COBISS.SI-ID 3264591]


14. MATANGE, Nishad, PODOBNIK, Marjetka, VISWESWARIAH, Sandhya S.,

“Metallophosphoesterases: structural idelity with functional promiscuity”, Biochemical Journal, 2015, vol. 467, str. 201-216. [COBISS.SI-ID 5678874]

15. YÁÑEZ-MÓ, María, SILJANDER, Pia R.-M., ANDREU, Zoraida, BEDINA ZAVEC,

Apolonija, BORRÀS, Francesc E., BUZAS, Edit I., BUZAS, Krisztina, CASAL, Enriqueta, CAPPELLO, Francesco, CARVALHO, Joana, KRALJ-IGLIČ, Veronika, MANČEK KEBER, Mateja, ŠTUKELJ, Roman, et al., “Biological properties of extracellular vesicles and their physiological functions”, Journal of Extracellular Vesicles, vol. 4, str. 27066. [COBISS.Si-iD 4864619]


16. CEGNAR, Mateja, PODOBNIK, Barbara, CASERMAN, Simon, HOMAR, Miha,

KERČ, Janez, Erythropoietin compositions for oral administration, patentna prijava WO2015/032973 (A1), 2015-03-12. München, World Intellectual Property Organization, International Bureau, 2015. [COBISS.SI-ID 5693978]

17. CEGNAR, Mateja, PODOBNIK, Barbara, GABERC-POREKAR, Vladka, NOVAK

ŠTAGOJ, Mateja, JALEN, Špela, KOMEL, Radovan, CASERMAN, Simon, Erythropoietin conjugates having oral bioavailability, international publication number WO 2015/032981 A1, international publication date 12 March 2015, international application number PCT/EP2014/069198, München, World Intellectual Property Organization, 2015. [COBISS.SI-ID 31900121]




19. Analytical Biochemistry, Anderluh, Gregor (član uredniškega odbora 2007-), New York,

Academic Press, ISSN 0003-2697. [COBISS.SI-ID 6506759]

20. Informatica Medica Slovenica, Anderluh, Gregor (član uredniškega odbora 2005-),

Maribor, Zdravstveni dom dr. Adolfa Drolca, 1994-, ISSN 1318-2129. [COBISS.SI-ID 37756160]

21. Kvarkadabra, Anderluh, Gregor (urednik 2005-), Ljubljana, Kvarkadabra, 1999-, ISSN

1580-3937. [COBISS.SI-ID 107906048]

22. The Open Chemical and Biomedical Methods Journal, Anderluh, Gregor (član uredniškega

odbora 2008-), Hilversum, Bentham Science, 2007-. [COBISS.SI-ID 2225999]

23. ANDERLUH, Gregor (urednik), KRAŠEVEC, Nada (urednik), Proteinske pore,

sekvenciranje in bioinformatika, mini simpozij 2015, 5. 11. 2015 Ljubljana, Ljubljana, Laboratorij za molekularno biologijo in nanobiotehnologijo, Kemijski inštitut, 2015, ISBN 978-961-6104-29-6. [COBISS.SI-ID 281867776]


24. ANDERLUH, Gregor (intervjuvanec), “Saj ne gre za strošek, ampak za naložbo v

znanje”, Delo, 12. nov. 2015, leto 57, št. 263, str. 14. [COBISS.SI-ID 5818906]

25. RADONJIČ, Gregor (intervjuvanec), PAVLINJEK, Štefan (intervjuvanec), MIVŠEK,

Franci (intervjuvanec), ŠOLTES, Igor (intervjuvanec), ANDERLUH, Gregor (intervjuvanec), “Zelena rast je razvojni izziv Sloveniji”, Embalaža, okolje, logistika, december 2015, 104/105, str. 8-9. [COBISS.SI-ID 12187420]


26. MIKELJ, Miha, Anderluh, Gregor (somentor), Interakcije izbranih proteinov naddružine

MACPF/CDC z lipidnimi membranami (Interactions of selected MACPF/CDC superfamily proteins with lipid membranes), doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 3470159]

27. ŠINK, Andreja, Anderluh, Gregor (mentor), Priprava virusom podobnih delcev z uporabo

bakterijskega ekspresijskega sistema (Preparation of virus-like particles in bacterial expression system), magistrsko delo, Ljubljana, 2015. [COBISS.SI-ID 8233849]

28. PEZDIREC, Dejan, Anderluh, Gregor (mentor), Vrednotenje izbijanja genov v

sesalskih celicah s tehnologijo nukleaze z motivi cinkovih prstov magistrski študij (Evaluation of gene silencing with technology of zinc inger nuclease in mammal cells), magistrsko delo, Ljubljana, 2015. [COBISS.SI-ID 3719503]

29. RAJNOVIĆ, Denis, Kraševec, Nada (somentorica), Interakcije egerolizinskih

proteina iz plijesni roda Aspergillus s membranskim lipidima, diplomski rad, Rijeka, 2015. [COBISS.SI-ID 3613263]

169

30. ŠKOFIČ-MAURER, Davor, Anderluh, Gregor (mentor), Izražanje in čiščenje mutantov

V452A, W453A in N454A mišjega perforina, diplomsko delo, Ljubljana, 2015. [COBISS.SI-ID 1536676547]

31. BOLTA, Simon, Anderluh, Gregor (mentor), Merjenje vezave DARPin-a na listeriolizin

O z metodo izotermalne titracijske kalorimetrije, diplomsko delo, Ljubljana, 2015. [COBISS.SI-ID 1536448963]

32. BUH, Alenka, Anderluh, Gregor (mentor), Optimizacija izražanja mišjega perforina

v insektnih celicah Sf9, diplomsko delo, Ljubljana, 2015. [COBISS.SI-ID 1536666819]

33. MOHAR, Maša, Anderluh, Gregor (mentor), Vpliv točkovnih mutacij na toksičnost NLPPya,

diplomsko delo, Ljubljana, 2015. [COBISS.SI-ID 1536424899]

34. REŠEK, Eva, Anderluh, Gregor (somentor), Proteomska analiza sekretoma makrofagov

stimuliranih s citokini IL-4, IL-10 in IL-13 (Proteomic secretome analysis of macrophages stimulated by citokynes IL-4, IL-10 and IL-13), diplomsko delo, Ljubljana, 2015. [COBISS.SI-ID 3546959]

L 12Laboratorij za biotehnologijoLaboratory of Biotechnology


1. MAJERLE, Andreja, GABER, Rok, BENČINA, Mojca, JERALA, Roman, “Function-based

mutation-resistant synthetic signaling device activated by HIV-1 proteolysis“, ACS Synthetic Biology, 2015, vol. 4, iss. 6, str. 667-672. [COBISS.Si-iD 5607450]

2. PETERNELJ, Tina Tinkara, MARSH, Susan A., MORAIS, Christudas, SMALL, David M.,

DALBO, Vincent J., TUCKER, Patrick S., COOMBES, Jef S., “O-GlcNAc protein modiication in C2C12 myoblasts exposed to oxidative stress indicates parallels with endogenous antioxidant defense“, Biochemistry and Cell Biology, 2015, vol. 93, no. 1, str. 63-73. [COBISS.SI-ID 5580314]

3. HADŽI, San, ONDRAČKA, Andrej, JERALA, Roman, HAFNER BRATKOVIČ, Iva,

“pathological mutations H187R and E196K facilitate subdomain separation and prion protein

conversion by destabilization of the native structure“, The FASEB Journal, 2015, vol. 29, no. 3, str. 882-893. [COBISS.SI-ID 5610266]

4. BINDER, Ulrike, BENČINA, Mojca, FIZIL, Ádám, BATTA, Gyula, CHHILLAR, Anil K.,

MARX, Florentine, “Protein kinase A signaling and calcium ions are major players in paF mediated toxicity against Aspergillus niger, “ FEBS Letters, 2015, vol. 589, iss. 11, str. 1266-1271. [COBISS.Si-iD 5696026]

5. DROBNAK, Igor, BRASELMANN, Esther, CLARK, Patricia L, “Multiple driving forces

required for eicient secretion of autotransporter virulence proteins“, The Journal of Biological Chemistry, 2015, vol. 290, iss. 16, str. 10104-10116. [COBISS.SI-ID 5719578]

6. DI LORENZO, Flaviana, KUBIK, Łukasz, OBLAK, Alja, LORÈ, Nicola Ivan, CIGANA, Cristina,

LANZETTA, Rosa, PARRILLI, Michelangelo, HAMAD, Mohamad A., DE SOYZA, Anthony, SILIPO, Alba, JERALA, Roman, BRAGONZI, Alessandra, VALVANO, Miguel A., MARTÍN-SANTAMARÍA, Sonsoles, MOLINARO, Antonio, “Activation of human Toll-like receptor 4 (TLR4) myeloid diferentiation factor 2 (MD-2) by hypoacylated lipopolysaccharide from a clinical isolate of Burkholderia cenocepacia“, The Journal of Biological Chemistry, 2015, vol. 290, no. 35, str. 21305-21319. [COBISS.SI-ID 5801242]

7. TREVEN, Primož, MRAK, Vesna, BOGOVIČ MATIJAŠIĆ, Bojana, HORVAT, Simon, ROGELJ,

Irena, “Administration of probiotics Lactobacillus rhamnosus GG and Lactobacillus gasseri K7 during pregnancy and lactation changes mouse mesenteric lymph nodes and mammary gland microbiota“, Journal of Dairy Science, 2015, vol. 98, issue 4, str. 2114-2128. [COBISS.SI-ID 3502984]

8. POHAR, Jelka, KUŽNIK, Alenka, JERALA, Roman, BENČINA, Mojca, “Minimal sequence

requirements for oligodeoxyribonucleotides activating human TLR9“, The Journal of Immunology, 2015, vol. 194, no. 8, str. 3901-3908. [COBISS.SI-ID 37867781]

9. POHAR, Jelka, LAINŠČEK, Duško, FUKUI, Ryutaro, YAMAMOTO, Chikako, MIYAKE,

Kensuke, JERALA, Roman, BENČINA, Mojca, “Species-speciic minimal sequence motif for oligodeoxyribonucleotides activating mouse TLR9“, The Journal of Immunology, 2015, vol. 195, no. 9, str. 4396-4405. [COBISS.SI-ID 5796378]

10. PETERNELJ, Tina Tinkara, MARSH, Susan A., STROBEL, Natalie A., MATSUMOTO,

Aya, BRISKEY, David, DALBO, Vincent J., TUCKER, Patrick S., COOMBES, Jef S., “Glutathione depletion and acute exercise increase o-Glcnac protein modiication in rat skeletal muscle“, Molecular and Cellular Biochemistry, 2015, vol. 400, iss. 1/2, str. 265-275. [COBISS.SI-ID 5605914]


11. BUTINAR, Lorena, MOHORČIČ, Martina, DEYRIS, Valérie, DUQUESNE, Katia, IACAZIO,

Gilles, CLAEYS-BRUNO, Magalie, FRIEDRICH, Josepha, ALPHAND, Veronique, “Prevalence and speciicity of Baeyer-Villiger monooxygenases in fungi“, Phytochemistry, 2015, vol. 117, str. 144-153. [COBISS.SI-ID 3958267]

12. OBLAK, Alja, POHAR, Jelka, JERALA, Roman, “MD-2 determinants of nickel and cobalt-

mediated activation of human TLR4“, PloS one, 2015, vol. 10, iss. 3, str. 1-15, e0120583. [COBISS.Si-iD 5698586]

13. CAJNKO, Miša Mojca, MARUŠIČ, Maja, KISOVEC, Matic, ROJKO, Nejc, BENČINA,

Mojca, CASERMAN, Simon, ANDERLUH, Gregor, “Listeriolysin O afects the permeability of Caco-2 monolayer in a pore-dependent and Ca2+-independent manner“, PloS one, 2015, vol. 10, iss. 6, str. 1-21, e0130471. [COBISS.SI-ID 5737242]

14. MANČEK KEBER, Mateja, FRANK, Mojca, HAFNER BRATKOVIČ, Iva, SMOLE, Anže,

ZORKO, Mateja, PIRHER, Nina, HAYER, Silvia, KRALJ-IGLIČ, Veronika, ROZMAN, Blaž, ILC, Nejc, HORVAT, Simon, JERALA, Roman, “Toll-like receptor 4 senses oxidative stress mediated by the oxidation of phospholipids in extracellular vesicles“, Science Signaling, 2015, vol. 8, iss. 381, str. 1-12. [COBISS.Si-iD 5706266]

15. PODOBNIK, Marjetka, MARCHIORETTO, Marta, ZANETTI, Manuela, BAVDEK, Andrej,

KISOVEC, Matic, CAJNKO, Miša Mojca, LUNELLI, Lorenzo, DALLA SERRA, Mauro, ANDERLUH, Gregor, “Plasticity of lysteriolysin O pores and its regulation by pH and unique histidine“, Scientiic Reports, 2015, vol. 5, str. 1-10. [COBISS.SI-ID 5679642]

16. LORBEK, Gregor, PERŠE, Martina, JERUC, Jera, JUVAN, Peter, GUTIÉRREZ MARISCAL,

Francisco Miguel, LEWINSKA, Monika, GEBHARDT, Rolf, KEBER, Rok, HORVAT, Simon, BJORKHEM, Ingemar, ROZMAN, Damjana, “Lessons from hepatocyte-speciic cyp51 knockout mice: impaired cholesterol synthesis leads to oval cell-driven liver injury“, Scientiic Reports, 2015, vol. 5, art. no.8777, str. 1-11. [COBISS.SI-ID 31858137]

17. MOLINARO, Antonio, HOLST, Otto, DI LORENZO, Flaviana, CALLAGHAN, Maire,

NURISSO, Alessandra, D‘ERRICO, Gerardino, ZAMYATINA, Alla, PERI, Francesco, BERISIO, Rita, JERALA, Roman, JIMÉNEZ-BARBERO, Jesús, SILIPO, Alba, MARTÍN-SANTAMARÍA, Sonsoles, “Chemistry of lipid A: at the heart of innate immunity“, Chemistry, 2015, vol. 21, iss. 2, str. 500-519. [COBISS.SI-ID 5597722]

18. MANČEK KEBER, Mateja, JERALA, Roman, “Postulates for validating TLR4 agonists“,

European Journal of Immunology, 2015, vol. 45, iss. 2, str. 356-370, [COBISS.SI-ID 5617434]

19. YÁÑEZ-MÓ, María, SILJANDER, Pia R.-M., ANDREU, Zoraida, BEDINA ZAVEC,

Apolonija, BORRÀS, Francesc E., BUZAS, Edit I., BUZAS, Krisztina, CASAL, Enriqueta, CAPPELLO, Francesco, CARVALHO, Joana, KRALJ-IGLIČ, Veronika, MANČEK KEBER, Mateja, ŠTUKELJ, Roman, et al., “Biological properties of extracellular vesicles and their physiological functions“, Journal of Extracellular Vesicles, 2015, vol. 4, str. 27066. [COBISS.SI-ID 4864619]

20. OBLAK, Alja, JERALA, Roman, “The molecular mechanism of species-speciic

recognition of lipopolysaccharides by the MD-2/TLR4 receptor complex“, Molecular Immunology, 2015, vol. 63, iss. 2, str. 134-142. [COBISS.SI-ID 5525274]

21. DROBNAK, Igor, BRASELMANN, Esther, CHANEY, Julie L., LEYTON, Denisse L.,

BERNSTEIN, Harris D., LITHGOW, Trevor, LUIRINK, Joen, NATARO, James P., CLARK, Patricia L., “Of linkers and autochaperones: an unambiguous nomenclature to identify common and uncommon themes for autotransporter secretion“, Molecular Microbiology, 2015, vol. 95, iss.1, str. 1-16. [COBISS.Si-iD 5719322]

22. KOČAR, Vid, BOŽIČ ABRAM, Sabina, DOLES, Tibor, BAŠIĆ, Nino, GRADIŠAR,

Helena, PISANSKI, Tomaž, JERALA, Roman, “TOPOFOLD, the designed modular biomolecular folds: polypeptide-based molecular origami nanostructures following the footsteps of DNA“, Wiley Interdisciplinary Reviews, Nanomedicine and Nanobiotechnology, 2015, vol. 7, iss. 2, str. 218-237. [COBISS.SI-ID 37569029]


23. PETERNELJ, Tina Tinkara, “Antioksidantski dodatki v športu“, Polet, 2015, letn. 14, št. 5,

str. 40-41. [COBISS.SI-ID 5700890]


24. BONČINA, Matjaž (avtor, ilustrator), PRISLAN, Iztok (avtor, ilustrator), DROBNAK,

Igor, LAH, Jurij, “Bioizikalna kemija - vaje.“, 1. izd., Ljubljana, Fakulteta za kemijo in kemijsko tehnologijo, 2015. [COBISS.SI-ID 280901888]

Doktorati, magisteriji, diplome / Ph.D., M.Sc. and b.Sc. Theses

171

25. SMOLE, Anže, Umeten genski regulatorni sistem za zaznavanje in zaviranje vnetja s

protivnetnimi proteini v sesalskih celicah (A synthetic gene regulatory device for sensing and suppressing inlammation by anti-inlammatory proteins in mammalian cells), doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 281421312]

26. GABER, Rok, Uporaba sintetičnih DNA vezavnih proteinov za procesiranje informacij

in usmerjanje procesov v bioloških sistemih (Use of synthetic DNA binding proteins for information processing and process directing in biological systems), doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 277641984]

27. SUŠJAN, Petra, Spremljanje vpliva načrtovanih peptidov na aktivacijo

inlamasoma NLRP3 (Monitoring the efect of the designed peptides on the activation of the NLRP3 inlammasome), magistrsko delo, Ljubljana, 2015. [COBISS.SI-ID 8253561]


28. LEGIŠA, Matic, DRAGAN, Marko, ANDREJC, Darjan, DOLINAR, Klemen, MOŽIR,

Alenka, Modiicirana 6-fosfofrukto-1-kinaza, ki rekombinantnim celicam kvasovke Saccharomyces cerevisiae omogoča fermentativno uporabo pentoznih sladkorjev, patentna prijava, P-2015023, 2015-03-25, Ljubljana, Urad RS za intelektualno lastnino, 2015. [COBISS.SI-ID 37878533]

29. JERALA, Roman, PIRHER, Nina, IVIČAK-KOCJAN, Karolina, AVBELJ, Monika,

BENČINA, Mojca, HORVAT, Simon, ČEH, Eva, KOČAR, Vid, KOLAR, Katja, LONZARIĆ, Jan, LASIČ, Ana, MORI, Jerneja, SMOLE, Anže, Chimäre Flagelline für Vakzine, AT 509354 (B1), 2015-05-15, Wien, Österreichisches Petentamt, 2015. [COBISS.Si-iD 4381466]




31. ACS Synthetic Biology, Jerala, Roman (član uredniškega odbora 2012-), Washington,

D.C., American Chemical Society, ISSN 2161-5063. [COBISS.SI-ID 519107609]

32. The Journal of Biological Chemistry, Jerala, Roman (član uredniškega odbora 2015-

), Baltimore, American Society of Biological Chemists, ISSN 0021-9258. [COBISS.SI-ID 6326023]

33. Innate Immunity, Jerala, Roman (član uredniškega odbora 2015-), London, Sage,

2008-, ISSN 1753-4259. [COBISS.SI-ID 4031002]


34. MANČEK KEBER, Mateja (intervjuvanec), “Slovenski znanstveniki odkrili receptor za

revmatoidni artritis“, Medicina danes, 23. sep. 2015, št. 11/12, str. 30-32. [COBISS.SI-ID 5800986]

35. JERALA, Roman (intervjuvanec), DOLINAR, Marko (intervjuvanec), PETRIČ, Špela

(intervjuvanec), PUSTOVRH, Toni (intervjuvanec), Biotehnologija za domačo rabo, Intelekta, Radio Slovenija, Prvi program, 20. 10. 2015., Ljubljana, RTV Slovenija, 2015. [COBISS.SI-ID 1536583619]

36. JERALA, Roman (intervjuvanec), HAFNER BRATKOVIČ, Iva (intervjuvanec), Dosežki

raziskovanja Kemijskega inštituta, intervju v oddaji Prvi dnevnik, TV Sovenija 1, 23. 6. 2015. [COBISS.Si-iD 5843738]

37. BREN, Urban (intervjuvanec), HAFNER BRATKOVIČ, Iva (intervjuvanec), LAZAR,

Timotej (intervjuvanec), Inteligenca javnega sektorja, sodelovanje v oddaji Tednik, RTV SLO 1, 12. 1. 2015. [COBISS.SI-ID 5664538]

38. HAFNER BRATKOVIČ, Iva (intervjuvanec), Lahko kurkumin ustavi demenco?

sodelovanje v oddaji Dobro jutro, TV Sovenija 1, 7. 9. 2015. [COBISS.SI-ID 5843482]

39. HAFNER BRATKOVIČ, Iva (intervjuvanec), MAKOVEC BRENČIČ, Maja (intervjuvanec),

LEVEC, Janez (intervjuvanec), Podelitev Preglove nagrade za izjemne dosežke, intervju na Radiu Slovenija, Program A1, 23. 6. 2015. [COBISS.SI-ID 5841434]

40. HAFNER BRATKOVIČ, Iva (intervjuvanec), pogovor z mlado preglovo nagrajenko dr.

Ivo Hafner Bratkovič, intervju na Radiu Slovenija, Val 202, 23. 6. 2015. [COBISS.SI-ID 5843226]

41. HAFNER BRATKOVIČ, Iva (intervjuvanec), HORVAT, Simon (intervjuvanec), JERALA,

Roman (intervjuvanec), S slovenskim znanjem nad revmatoidni artritis, astmo in aterosklerozo, sodelovanje v oddaji Ultrazvok na Radiu Slovenija, Program A1, 25. 6. 2015. [COBISS.SI-ID 5843994]

42. HAFNER BRATKOVIČ, Iva (intervjuvanec), Zdravljenje z matičnimi celicami, prispevek v

oddaji Prava ideja, TV Sovenija 1, 5. 3. 2015. [COBISS.Si-iD 5844250]


43. JERALA, Roman (intervjuvanec), ANDRENŠEK, Samo (intervjuvanec),

BENČINA, Mojca (intervjuvanec), Oprema je orodje, dodana vrednost so raziskovalci in ideje, Meta, 2015, str. 1. [COBISS.SI-ID 5865242]

44. JERALA, Roman (intervjuvanec), Gensko spremenjeni otroci: biotehnologija je

dosegla točko razvoja, ki omogoča spreminjanje genetske zasnove človeka, Mladina, 8. maj 2015, št.19, str. 40. [COBISS.SI-ID 5878810]

45. JERALA, Roman (intervjuvanec), Nevednost zame ni blagoslov, Mladina, 15. maj 2015,

št. 20, str. 26. [COBISS.SI-ID 5879066]

46. JERALA, Roman (intervjuvanec), pomembno odkritje slovenskih znanstvenikov, intervju

v oddaji Radijski dnevnik, Radio Slovenija 1, Program A1, 19. 6. 2015. [COBISS.SI-ID 5879578]

47. JERALA, Roman (intervjuvanec), pogovor z Romanom Jeralo, sodelovanje v oddaji na

Radiu Slovenija, Program A1, 19. 6. 2015. [COBISS.Si-iD 5879322]

48. BENČINA, Mojca (intervjuvanec), JERALA, Roman (intervjuvanec), visokemu šolstvu

smo nastavili ogledalo, sodelovanje v oddaji Epilog, POP TV, 15. 10. 2015. [COBISS.SI-ID 5865754]

49. BENČINA, Mojca, JERALA, Roman (omenjena v prispevku), Priložnost

za inovativna podjetja in motivacija za mlade raziskovalce, Finance, št. 199,13. okt. 2015, str. 22. [COBISS.SI-ID 5865498]

50. JERALA, Roman (izjave v prispevku), Celice lahko ustvarjajo visoko dodano vrednost,

Finance, št. 199, 13. okt. 2015, str. 22. [COBISS.SI-ID 5879834]

51. ROGELJ-PETRIČ, Silvestra, PAVLOVČIČ, Lidija, JERALA, Roman (pojasnila v

prispevku), Kako se ohranja čudež življenja, zajet v molekuli DNK, Nobelova nagrada za kemijo, Delo, 57, št. 240, 15. okt. 2015, str. 14. [COBISS.SI-ID 282896896]


52. SMOLE, Anže, Jerala, Roman (mentor), Umeten genski regulatorni sistem za

zaznavanje in zaviranje vnetja s protivnetnimi proteini v sesalskih celicah (A synthetic gene regulatory device for sensing and suppressing inlammation by anti-inlammatory proteins in mammalian cells), doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 281421312]

53. GABER, Rok, Jerala, Roman (mentor), Uporaba sintetičnih DNA vezavnih proteinov

za procesiranje informacij in usmerjanje procesov

v bioloških sistemih (Use of synthetic DNA binding proteins for information processing and process directing in biological systems), doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 277641984]

54. OGRIN, Laura, Horvat, Simon (mentor), Izražanje genov v celicah makrofagov po

aktivaciji receptorja TLR4 z mikrovezikli, magistrsko delo, Ljubljana, 2015. [COBISS.SI-ID 1536488387]

55. BEZELJAK, Urban, Jerala, Roman (mentor), Priprava in optimizacija cepljenih inteinov

za nadzorovanje povezovanja proteinskih domen, magistrsko delo, Ljubljana, 2015. [COBISS.SI-ID 1536444099]

56. KAPUŠIN, Nuša, Horvat, Simon (somentor), Bioinformatska analiza interaktoma genov,

udeleženih v uravnavanje metabolizma maščob pri evkariontih (Bioinformatic analysis of interactome of genes involved in regulation of lipid metabolism in eucarionts), magistrsko delo, Ljubljana, 2015. [COBISS.SI-ID 8321657]

57. BRILI, Andreja, Hafner Bratkovič, Iva (somentor), Načrtovanje in vrednotenje

aktivnosti peptidnih zaviralcev inlamasoma NLRP3 (Design and activity assesment of inlammasome NLRP3 peptide inhibitors), magistrsko delo, Ljubljana, 2015. [COBISS.SI-ID 3942769]

58. SUŠJAN, Petra, Hafner Bratkovič, iva (somentorica), Spremljanje vpliva

načrtovanih peptidov na aktivacijo inlamasoma NLRP3 (Monitoring the efect of the designed peptides on the activation of the NLRP3 inlammasome), magistrsko delo, Ljubljana, 2015. [COBISS.SI-ID 8253561]

59. CIRNSKI, Katarina, Horvat, Simon (mentor), Identiikacija kandidatnih genov

za kvanitativna lokusa Fob3b1 in Fob3b2 debelosti z uporabo kongenih mišjih linij in ekspresijskih mikromrež (Identiication of candidate genes for Fob3b1 and Fob3b2 obesity quantitative loci using congenic mouse lines and expression microarray), diplomsko delo, Ljubljana, 2015. [COBISS.SI-ID 8194425]

60. BOŽIČ, Tim, Horvat, Simon (mentor), Analiza genetske variabilnosti gena DEPTOR in

vpliva na kazalce debelosti pri bolnicah s sindromom policističnih ovarijev, diplomsko delo, Ljubljana, 2015. [COBISS.SI-ID 1536486083]

61. VEHOVEC, Aleš, Horvat, Simon (mentor), Bioetične dileme uporabe domačih živali

v poskusih in biotehnologiji (Bioethical dilemmas of use of domestic animals in experiments and biotechnology), diplomski projekt, Ljubljana, 2015. [COBISS.SI-ID 3613064]

62. ZUPANČIČ, Maja, Horvat, Simon (mentor), Določanje in testiranje regulatornih

173

elementov gena FOXP3 za regulacijo njegovega izražanja z umetnimi transkripcijskimi faktorji, diplomsko delo, Ljubljana, 2015. [COBISS.SI-ID 1536473027]

63. KREBL, Anja, Horvat, Simon (mentor), Genetika obarvanosti dlake pri kuncih

(Oryctolagus cuniculus) (Genetics of coat coloration in rabbits (Oryctolagus cuniculus)), diplomski projekt, Ljubljana, 2015. [COBISS.SI-ID 3613576]

64. PERČIČ, Anja, Horvat, Simon (mentor), Povezava metabolnih parametrov s

fenotipskimi lastnostmi pri mišjem modelu sladkorne bolezni tipa 2 (Association of metabolic parameters with phenotypic traits in a mouse model of type 2 diabetes), diplomski projekt, Ljubljana, 2015. [COBISS.SI-ID 3613320]

65. GRAŠIČ, Jan, Horvat, Simon (mentor), Uporaba eksosomov za terapevtske namene

(Therapeutic applications of exosomes), diplomski seminar, Ljubljana, 2015. [COBISS.SI-ID 8237433]

66. LAPANJA, Tjaša, Horvat, Simon (mentor), Vpliv krmnih dodatkov ognjiča na vnetne

parametre pri piščancih (Efect of food supplement of marigold on inlammation parameters in chickens), diplomski seminar, Ljubljana, 2015. [COBISS.SI-ID 8228985]

67. KUNŠEK, Ana, Horvat, Simon (mentor), Vpliv različnih agonistov Tollu podobnih

receptorjev na aktivacijo dendritičnih celic, diplomsko delo, Ljubljana, 2015. [COBISS.SI-ID 1536474307]

68. TURK, Nika, Legiša, Matic (somentor), Izražanje modiiciranega gena pfkA glive

Aspergillus niger v kvasovki Saccharomyces cerevisiae (Expression of a modiied gene pfkA of fungi Aspergillus niger in yeast Saccharomyces cerevisiae), diplomsko delo, Ljubljana, 2015. [COBISS.SI-ID 4558968]

69. MRAK, Aleksandra, Horvat, Simon (somentor), Prehranski polifenoli in debelost,

diplomski seminar, Ljubljana, 2015. [COBISS.SI-ID 4598904]

L 13Laboratorij za katalizo inreakcijsko inženirstvoLaboratory of Catalysis andChemical Reaction Engineering


1. HUŠ, Matej, ŽAKELJ, Gašper, URBIČ, Tomaž, “properties of methanol-water mixtures in

a coarse-grained model”, Acta Chimica Slovenica, 2015, vol. 62, no. 3, str. 524-530. [COBISS.SI-ID 38057221]

2. KRIVEC, Matic, POHAR, Andrej, LIKOZAR, Blaž, DRAŽIĆ, Goran, “Hydrodynamics, mass

transfer, and photocatalytic phenol selective oxidation reaction kinetics in a ixed TiO2 microreactor”, AIChE Journal, 2015, vol. 61, iss. 2, str. 572-581. [COBISS.SI-ID 5567258]

3. OBRADOVIĆ, Ana, LEVEC, Janez, “Countercurrent gas-solid trickle low reactor

with structured packing: hydrodynamics and CaO-Co2 reaction”, AIChE Journal, 2015, vol. 61, iss. 5, str. 1601-1612. [COBISS.SI-ID 5660186]

4. GRILC, Miha, VERYASOV, Gleb, LIKOZAR, Blaž, JESIH, Adolf, LEVEC, Janez,

“Hydrodeoxygenation of solvolysed lignocellulosic biomass by unsupported MoS2, MoO2, Mo2C and WS2 catalysts”, Applied Catalysis. B, Environmental, 2015, vol. 163, str. 467-477. [COBISS.SI-ID 5537562]

5. BIRSA ČELIČ, Tadeja, GRILC, Miha, LIKOZAR, Blaž, NOVAK TUŠAR, Nataša, “In situ

generation of ni nanoparticles from metal-organic framework precursors and their use for biomass hydrodeoxygenation”, ChemSusChem, 2015, vol. 8, iss. 10, str. 1703-1710. [COBISS.SI-ID 5667866]

6. GRILC, Miha, LIKOZAR, Blaž, LEVEC, Janez, “Kinetic model of homogeneous

lignocellulosic biomass solvolysis in glycerol and imidazolium-based ionic liquids with subsequent heterogeneous hydrodeoxygenation over niMo/al2o3 catalyst”, Catalysis Today, vol. 256, pt. 2, str. 302-314. [COBISS.SI-ID 37882629]

7. POHAR, Andrej, HOČEVAR, Stanko, LIKOZAR, Blaž, LEVEC, Janez, “Synthesis and

characterization of gallium-promoted copper-ceria catalyst and its application for methanol steam reforming in a packed bed reactor”, Catalysis Today, vol. 256, pt. 2, str. 358-364. [COBISS.SI-ID 37864965]


8. BERČIČ, Gorazd, “Through control of wetting and drying conditions of monolithic supports

towards a uniform catalyst distribution”, Drying Technology, 2015, vol. 33, iss. 1, str. 72-82. [COBISS.Si-iD 5530394]

9. KROFLIČ, Ana, GRILC, Miha, GRGIĆ, Irena, “Unraveling pathways of guaiacol nitration

in atmospheric waters: nitrite, a source of reactive nitronium ion in the atmosphere”, Environmental Science & Technology, 2015, vol. 49, iss. 15, str. 9150-9158. [COBISS.SI-ID 37960197]

10. KROFLIČ, Ana, GRILC, Miha, GRGIĆ, Irena, “Does toxicity of aromatic pollutants

increase under remote atmospheric conditions?” Scientiic Reports, 2015, vol. 5, str. 1-5. [COBISS.SI-ID 37870853]

11. BELAVIČ, Darko, HROVAT, Marko, MAKAROVIČ, Kostja, DOLANC, Gregor,

POHAR, Andrej, HOČEVAR, Stanko, MALIČ, Barbara, “3D LTCC structure for a large-volume cavity-type chemical microreactor”, Special Issue IMAPS Poland, 2015, vol. 32, no. 3, str. 133-137. [COBISS.SI-ID 28781351]


12. HUŠ, Matej, “Tudi letos srebro in bron na Evropski naravoslovni olimpijadi”, Kemija v

šoli in družbi, 2015, št. ¼. [COBISS.SI-ID 5727258]

13. HUŠ, Matej, “Od štetja kapljic do kemijskih simulacij”, Kemija v šoli in družbi, 2015, št. 1,

str. 1-7. [COBISS.SI-ID 1536269251]

V celoti objavljeni članki (poljudni) / Full Text Articles

14. HUŠ, Matej, “Glejmo organsko”, Monitor, 2015, letn. 25, št. 1, str. 78-81. [COBISS.SI-ID

1536128451]

15. HUŠ, Matej, “Pozabljeni element, ki obljublja superpomnilnik”, Monitor 2015, letn. 25, št.

2, str. 76-77. [COBISS.SI-ID 1536172995]

16. HUŠ, Matej, “Internet nad oblaki”, Monitor, 2015, letn. 25, št. 3, str. 68-71. [COBISS.SI-ID

1536204739]

17. HUŠ, Matej, “Udobno zaviti v vato”, Monitor, 2015, letn. 25, št. 4, str. 6. [COBISS.SI-ID

1536256195]

18. HUŠ, Matej, “Zakaj imamo črno opeko in kaj je notri”, Monitor, 2015, letn. 25, št. 4, str.

66-68. [COBISS.SI-ID 1536256707]

19. HUŠ, Matej, “Nove baterije iz Tesle in zakaj bi to želeli”, Monitor, 2015, letn. 25, št. 4, str.

69. [COBISS.SI-ID 1536256963]

20. HUŠ, Matej, “Mobilni procesorji”, Monitor, 2015, letn. 25, št. 5, str. 55-59. [COBISS.SI-ID

1536284867]

21. HUŠ, Matej, “Pod stopnicami”, Monitor, 2015, letn. 25, št. 5, str. 60-62. [COBISS.SI-ID

1536285123]

22. HUŠ, Matej, “Kod hodi digitalni radio?” Monitor, 2015, 25, št. 5, str. 64-65. [COBISS.

Si-iD 1536285379]

23. HUŠ, Matej, “Slovenska internetna hrbtenica”, Monitor, 2015, letn. 25, št. 6, str.

64-70. [COBISS.SI-ID 5705498]

24. HUŠ, Matej, “Matematika baterijskega napajanja hiše”, Monitor, 2015, letn. 25, št.

6, str. 72. [COBISS.SI-ID 5705754]

25. HUŠ, Matej, “Pozor, sevanje”, Monitor, 2015, letn. 25, št. 7/8, str. 62-64. [COBISS.SI-ID

5719066]

26. HUŠ, Matej, “Napolni me hitro”, Monitor, 2015, letn. 25, št. 7/8, str. 78-80. [COBISS.

Si-iD 5718810]

27. HUŠ, Matej, “Tudi bankomat je računalnik, “Monitor, 2015, letn. 25, št. 9, str. 56-59.

[COBISS.SI-ID 5754650]

28. HUŠ, Matej, “Vat ni enak vatu”, Monitor, 2015, letn. 25, št. 9, str. 56-62. [COBISS.SI-ID

5754906]

29. HUŠ, Matej, “Manj nanometrov, več dimenzij”, Monitor, 2015, letn. 25, št. 9, str.

82-86. [COBISS.SI-ID 5754394]

30. HUŠ, Matej, “Vohun, vohun, vohun”, Monitor, 2015, letn. 25, št. 10, str. 6.

[COBISS.SI-ID 5781018]

31. HUŠ, Matej, “Ko postane temno”, Monitor, 2015, letn. 25, št. 10, str. 64-68. [COBISS.

Si-iD 5780762]

32. HUŠ, Matej, “Zakaj prihodnost iz preteklosti ni sedanjost”, Monitor, 2015, letn. 25, št. 11,

str. 6. [COBISS.SI-ID 5807386]

33. HUŠ, Matej, “To sta lepi par”, Monitor, 2015, letn. 25, št. 11, str. 16. [COBISS.SI-ID

5805850]

34. HUŠ, Matej, “Diski vračajo udarec”, Monitor, 2015, letn. 25, št. 11, str. 66-69. [COBISS.

Si-iD 5807642]

175

35. HUŠ, Matej, “Kako na prvo stran”, Monitor, 2015, letn. 25, št. 12, str. 56-59. [COBISS.

Si-iD 5820442]


36. GRILC, Miha, LIKOZAR, Blaž, LEVEC, Janez, “Production of γ-valerolactone from

the biomass-derived levulinic acid”, V: World Sustainable Energy Days, 25-27 February 2015, Wels, Austria, Wels, 2015, str. 1-5. [COBISS.SI-ID 5667610]

37. BJELIĆ, Ana, GRILC, Miha, LIKOZAR, Blaž, “Catalytic hydrogenation kinetics of lignin

monomer model compound eugenol over Ru/C in slurry reactor”, V: Slovenski kemijski dnevi 2015, Ljubljana, 24. - 25. september 2015 (Slovenian Chemical Days 2015, Ljubljana, September 24 - 25, 2015), KAUČIČ, Venčeslav (ur.), et al., Zbornik referatov in povzetkov, Ljubljana, Slovensko kemijsko društvo, 2015, 5 str. [COBISS.SI-ID 5785370]

38. GROM, Matic, GRILC, Miha, LIKOZAR, Blaž, “Izgradnja paralelnega večcevnega

pretočnega reaktorskega sistema in njegova uporaba za reakcije pretvorbe ogljikovega dioksida”, V: Slovenski kemijski dnevi 2015, Ljubljana, 24. - 25. september 2015 (Slovenian Chemical Days 2015, Ljubljana, September 24 - 25, 2015), KAUČIČ, Venčeslav (ur.), et al., Zbornik referatov in povzetkov, Ljubljana, Slovensko kemijsko društvo, 2015, 5 str. [COBISS.SI-ID 5785114]

39. CEGLAR, Rok, POHAR, Andrej, LIKOZAR, Blaž, “Študija računalniške dinamike toka

tekočin v reaktorju s strnjenim slojem delcev katalizatorja različnih geometrij”, V: Slovenski kemijski dnevi 2015, Ljubljana, 24. - 25. september 2015 (Slovenian Chemical Days 2015, Ljubljana, September 24 - 25, 2015), KAUČIČ, Venčeslav (ur.), et al., Zbornik referatov in povzetkov, Ljubljana, Slovensko kemijsko društvo, 2015, 5 str. [COBISS.Si-iD 5784858]


40. GRILC, Miha, Kinetika procesa utekočinjanja in katalitske deoksigenacije lignocelulozne

biomase, doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 280433408]


41. BELE, Marjan, GABERŠČEK, Miran, KAPUN, Gregor, HODNIK, Nejc, HOČEVAR,

Stanko, Electrocatalytic composite(s), associated composition(s), and associated process(es), patent US 9147885 (B2), 2015-09-29, Alexandria, United State Patent and Trademark Oice, 2015. [COBISS.SI-ID 4902938]


42. Acta Chimica Slovenica, Levec, Janez (član uredniškega odbora 1998-), Likozar,

Blaž (član uredniškega odbora 2013-), Ljubljana, Slovensko kemijsko društvo (Slovenian Chemical Society), 1993-, ISSN 1318-0207. [COBISS.SI-ID 14086149]

43. Chinese Journal of Chemical Engineering, Levec, Janez (član uredniškega sveta 2000-),

Beijing, Chemical Industry Press, Heidelberg, New York, Tokyo, Springer-Verlag Berlin, 1982-, ISSN 1004-9541. [COBISS.SI-ID 2317850]

44. International Journal of Chemical Engineering, Levec, Janez (član uredniškega

odbora 2008-), New York, Cairo, Hindawi Publishing Corporation. [COBISS.SI-ID 3883290]

45. International Review of Chemical Engineering, Levec, Janez (član uredniškega odbora

2009-), Napoli, Praise Worthy Prize. ISSN 2035-1755. [COBISS.SI-ID 4095514]


46. HUŠ, Matej (intervjuvanec), RATEJ, Maja (intervjuvanec), HVALC, Luka

(intervjuvanec), PEČEK, Mitja (intervjuvanec), Afera Dieselgate, oddaja Frekvenca X, Val 202, 15. 10. 2015, Ljubljana, Val 202, 15. 10. 2015. [COBISS.SI-ID 5789722]

47. STEPANČIČ, Maja, HUŠ, Matej, Na vozniškem sedežu bomo tvitali in reševali

sudoku, oddaja Frekvenca X, Radio Slovenija, Val 202, 26. 11. 2015, Ljubljana, Val 202, 26. 11. 2015. [COBISS.SI-ID 5824538]

48. FILIPIČ, Matjaž (intervjuvanec), TOŠIĆ, Tatjana (intervjuvanec), HUŠ, Matej

(intervjuvanec), SLAPŠAK, Peter (intervjuvanec), RIHTARŠIČ, Pavel (intervjuvanec), Evro na evro, Polnočni klub, Televizija Slovenija, Prvi program, 20. 2. 2015, Ljubljana, RTV Slovenija, 2015. [COBISS.Si-iD 1536204227]

49. SEKAVČNIK, Mihael (intervjuvanec), LIKOZAR, Blaž (intervjuvanec), HUŠ, Matej

(intervjuvanec), DASIREDDY, Venkata D. B. C. (intervjuvanec), CEGLAR, Rok (intervjuvanec), GRILC, Miha (intervjuvanec), Neškodljiv, pa vendar škodljiv CO2, izobraževana oddaja Ugriznimo znanost, RTV SLO 1, 29. oktober 2015. [COBISS.SI-ID 5813274]


50. HAFNER BRATKOVIČ, Iva (intervjuvanec), MAKOVEC BRENČIČ, Maja (intervjuvanec),

LEVEC, Janez (intervjuvanec), Podelitev Preglove nagrade za izjemne dosežke, intervju na Radiu Slovenija, Program A1, 23. 6. 2015. [COBISS.SI-ID 5841434]


51. LINEC, Mitja, Levec, Janez (mentor), Hitrost snovnega transporta in kemijske reakcije

v reaktorju s katalitično membrano, doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 281779712]

52. LAH, Branko, Likozar, Blaž (mentor), Transportni pojavi in povečevanje reaktorja

pri pirolizi odpadnih gum in plastičnih mas, doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 1536190659]

53. GRILC, Miha, Levec, Janez (mentor), Kinetika procesa utekočinjanja in katalitske

deoksigenacije lignocelulozne biomase, doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 280433408]

54. KAPLAN, Renata, Pintar, Albin (mentor), Levec, Janez (somentor), Sinteza in uporaba

katalizatorjev na osnovi titanatnih nanocevk za čiščenje modelnih in realnih odpadnih vod, doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 1536312259]

55. JUG, Katja, Levec, Janez (mentor), Transesteriikacija trigliceridov v

membranskem reaktorju, diplomsko delo, Ljubljana, 2015. [COBISS.SI-ID 1536294083]

56. KARADŽA, Mateja, Likozar, Blaž (mentor), Uporaba visokotlačne celice za reakcije pri

superkritičnih pogojih, diplomsko delo, Ljubljana, 2015. [COBISS.SI-ID 1536553155]

L 14 Laboratorij za strukturo biomolekulLaboratory of Biomolecular Structure

V celoti objavljeni članki (znanstveni, strokovni, poljudni) / Full Text Articles

1. GUARDIANI, Carlo, SCORCIAPINO, Mariano Andrea, AMODEO, Giuseppe Federico,

GRDADOLNIK, Jože, PAPPALARDO, Giuseppe, PINTO, Vito De, CECCARELLI, Matteo, CASU, Mariano, “The N-terminal peptides of the three human isoforms of the mitochondrial voltage-dependent anion channel have diferent helical propensities”, Biochemistry, 2015, vol. 54, iss. 36, str. 5646-5656. [COBISS.SI-ID 5824794]

2. KORDOPATI, Golfo, TSELIOS, Theodore V., KELLICI, Tahsin, MERZEL, Franci,

MAVROMOUSTAKOS, Thomas Michael, GOLIČ GRDADOLNIK, Simona, TSIVGOULIS, Gerasimos, “a novel synthetic luteinizing hormone-releasing hormone (LHRH) analogue coupled with modiied β-cyclodextrin: insight into its intramolecular interactions”, Biochimica et Biophysica Acta (G). General Subjects, 2015, vol. 1850, iss. 1, str. 159-168. [COBISS.SI-ID 5596698]


GRDADOLNIK, Simona, KOCJAN, Darko, GOBEC, Stanislav, ŠOLMAJER, Tomaž, WOLBER, Gerhard, “Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC-MurF): experimental and computational characterization”, Journal of Computer-aided Molecular Design, 2015, vol. 29, iss. 6, str. 541-560. [COBISS.SI-ID 5677082]

4. VRONTAKI, Eleni, LEONIS, Georgios, AVRAMOPOULOS, Aggelos, PAPADOPOULOS,

Manthos G., SIMČIČ, Mihael, GOLIČ GRDADOLNIK, Simona, AFANTITIS, Antreas, MELAGRAKI, Georgia, HADJIKAKOU, Sotiris K., MAVROMOUSTAKOS, Thomas Michael, “Stability and binding efects of silver(I) complexes at lipoxygenase-1”, Journal of Enzyme Inhibition and Medicinal Chemistry, 2015, vol. 30, iss. 4, str. 539-549. [COBISS.SI-ID 5737498]


5. PINTAR, Albin, KAPLAN, Renata, ERJAVEC, Boštjan, DRAŽIĆ, Goran, GRDADOLNIK, Jože,

“novel anatase/rutile/brookite Tio2 nanocomposite with superior mineralization potential for photocatalytic degradation of water pollutants”, V: Book of Proceedings, Athens, 2015, str. 1-3. [COBISS.Si-iD 5809178]


6. Acta Chimica Slovenica, Hadži, Dušan (član uredniškega odbora 1998-), Ljubljana,


7. Journal of Molecular Structure, Hadži, Dušan (član uredniškega sveta 1960-), Amsterdam,

Elsevier, ISSN 0022-2860. [COBISS.SI-ID 990223]

177

8. Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy, Hadži, Dušan (član

uredniškega odbora 1995-), Oxford, New York, Pergamon Press, Amsterdam, Elsevier Science, 1995-. ISSN 1386-1425. [COBISS.SI-ID 1964152]


9. ZELENKO, Urška, Golič Grdadolnik, Simona (mentorica), Študija vezave inhibitorjev na

ortologe sterol 14α-demetilaze (CYP51) (Study of inhibitor binding to sterol 14α-demethylase (CYP51) orthologs), doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 278652928]

L 15 Nacionalni center za NMR spektroskopijo visoke ločljivostiSlovenian NMR centre


1. KLUN, Katja, ŠKET, Primož, FALNOGA, Ingrid, FAGANELI, Jadran, “Variation in colloidal

organic matter composition and aggregation in coastal waters (Gulf of Trieste, Northern Adriatic Sea)”, Geomicrobiology Journal, vol. 32, iss. 7, str. 609-615. [COBISS.SI-ID 3554639]

2. GALER, Petra, ŠKET, Boris, “Photodegradation of methoxy substituted curcuminoids”, Acta

Chimica Slovenica, 2015, vol. 62, no. 2, str. 346-353. [COBISS.SI-ID 1536350403]

3. KIŠIĆ, Andrea, STEPHAN, Michel, MOHAR, Barbara, “Ansa-ruthenium(II) complexes

of R2nSo2DpEn-(CH2)n(η6-aryl) conjugate ligands

for asymmetric transfer hydrogenation of aryl ketones”, Advanced Synthesis & Catalysis, 2015, vol. 357, iss. 11, str. 2540-2546. [COBISS.SI-ID 5747994]

4. MARUŠIČ, Maja, PLAVEC, Janez, “The efect of DNA sequence directionality

on G-quadruplex folding”, Angewandte Chemie, International Edition, 2015, vol. 54, iss. 40, str. 11716-11719. [COBISS.SI-ID 5780506]

5. MARUŠIČ, Maja, TATEISHI-KARIMATA, Hisae, SUGIMOTO, Naoki, PLAVEC, Janez, “Structural

foundation for Dna behavior in hydrated ionic liquid: an NMR study”, Biochimie, 2015, vol. 108, str. 169-177. [COBISS.SI-ID 5635610]

6. EDWARDS, Stacey L., POONGAVANAM, Vasanthanathan, KANWAR, Jagat R., ROY,

Kislay, HILLMAN, Kristine M., PRASAD, Neerati, LETH-LARSEN, Rikke, PETERSEN, Michael, MARUŠIČ, Maja, PLAVEC, Janez, WENGEL, Jesper, VEEDU, Rakesh N., “Targeting VEGF with LNA-stabilized G-rich oligonucleotide for eicient breast cancer inhibition”, Chemical Communications, 2015, vol. 51, iss. 46, str. 9499-9502. [COBISS.SI-ID 5707802]

7. TRAJKOVSKI, Marko, MOREL, Elodie, HAMON, Florian, BOMBARD, Sophie, TEULADE-

FICHOU, Marie-Paule, PLAVEC, Janez, “Interactions of pt-ttpy with G-quadruplexes originating from promoter region of the c-myc gene deciphered by NMR and gel electrophoresis analysis”, Chemistry, European Journal, 2015, vol. 21, iss. 21, str. 7798-7807. [COBISS.SI-ID 5695514]

8. DESANDO, Michael A., LAHAJNAR, Gojmir, FRIEDRICH, Miha, PLAVEC, Janez, TAVČAR,

Gašper, “Inluence of solvent chemistry on 1H nMR spectral and relaxation properties of a long-chain ionic surfactant in chloroform-d”, Colloid and Polymer Science, 2015, vol. 293, no. 5, str. 1409-1423. [COBISS.SI-ID 28393767]

9. PARLOV VUKOVIĆ, Jelena, NOVAK, Predrag, PLAVEC, Janez, FRIEDRICH, Miha, MARINIĆ

PAJC, Ljiljana, HRENAR, Tomica, “NMR and chemometric characterization of vacuum residues and vacuum gas oils from crude oils of diferent origin”, Croatica Chemica Acta, 2015, vol. 88, no. 1, str. 89-95. [COBISS.SI-ID 5709082]

10. KOTAR, Anita, KOTAR, Matjaž, ŠKET, Primož, PLAVEC, Janez, “Potential of solid-state

nMR and SEM in characterization of tablets of ibuprofen”, Current Pharmaceutical Analysis, 2015, vol. 11, no. 2, str. 124-130. [COBISS.SI-ID 37865733]

11. STIPKOVIĆ BABIĆ, Maja, MAKUC, Damjan, PLAVEC, Janez, MARTINOVIĆ, Tamara,

KRALJEVIĆ PAVELIĆ, Sandra, PAVELIĆ, Krešimir, SNOECK, Robert, ANDREI, Graciela, SCHOLS, Dominique, WITTINE, Karlo, MINTAS, Mladen, “Novel halogenated 3-deazapurine, 7-deazapurine and alkylated 9-deazapurine derivatives of L-ascorbic or imino-L-ascorbic acid: synthesis, antitumour and antiviral activity evaluations”, European Journal of Medicinal Chemistry, 2015, vol. 102, str. 288-302. [COBISS.SI-ID 5753882]

12. RAST, Slavko, STEPHAN, Michel, MOHAR, Barbara, “Olein hydrogenation with rigid

mono-P-stereogenic diphosphines: a lexible rhodium ring to rule them all?” European Journal of Organic Chemistry, 2015, vol. 2015, iss. 10, str. 2214-2225. [COBISS.SI-ID 5675546]

13. SAXENA, Saurabh, STANEK, Jan, CEVEC, Mirko, PLAVEC, Janez, KOŹMIŃSKI, Wiktor,

“High resolution 4D HpCH experiment for sequential assignment of 13C-labeled Rnas via


phosphodiester backbone”, Journal of Biomolecular NMR, 2015, vol. 63, iss. 3, str. 291-298. [COBISS.Si-iD 5819418]

14. SERŠEN, Sara, ŠKET, Primož, PLAVEC, Janez, TUREL, Iztok, “Interactions of two

cytotoxic organoruthenium(ii) complexes with G-quadruplex”, Journal of Inorganic Biochemistry, str. 1-8. [COBISS.SI-ID 1536651971],

15. BORIŠEK, Jure, VIZOVIŠEK, Matej, SOSNOWSKI, Piotr, TURK, Boris, TURK,

Dušan, MOHAR, Barbara, NOVIČ, Marjana, “Development of n-(functionalized benzoyl)-homocycloleucyl-glycinonitriles as potent cathepsin K inhibitors”, Journal of Medicinal Chemistry, 2015, vol. 58, iss. 17, str. 6928-6937. [COBISS.SI-ID 5755162]

16. PICEK, Igor, VIANELLO, Robert, ŠKET, Primož, PLAVEC, Janez, FORETIĆ, Blaženka,

“Tandem β-elimination/hetero-Michael addition rearrangement of an n-alkylated pyridinium oxime to an O-alkylated pyridine oxime ether: an experimental and computational study”, Journal of Organic Chemistry, 2015, vol. 80, iss. 4, str. 2165-2173. [COBISS.SI-ID 5669146]

17. BALABAN, Alexandru T., YOUNG, Donald C., PLAVEC, Janez, PEČNIK, Klemen, POMPE,

Matevž, DAHL, Jeremy E., CARLSON, Robert M. K., “nMR spectral properties of the tetramantanes - nanometer-sized diamondoids”, Magnetic Resonance in Chemistry, vol. 53, issue 12, str. 1003-1018. [COBISS.SI-ID 1536615875]

18. ŠKET, Primož, POHLEVEN, Jure, KOVANDA, Anja, ŠTALEKAR, Maja, ŽUPUNSKI, Vera,

ZALAR, Matja, PLAVEC, Janez, ROGELJ, Boris, “Characterization of Dna G-quadruplex species forming from C9ORF72 G4C2 expanded repeats associated with amyotrophic lateral sclerosis and frontotemporal lobar degeneration”, Neurobiology of Aging, 2015, vol. 36, no. 2, str. 1091-1096. [COBISS.SI-ID 27972647]

19. BRČIČ, Jasna, PLAVEC, Janez, “Solution structure of a Dna quadruplex containing

aLS and FTD related GGGGCC repeat stabilized by 8-bromodeoxyguanosine substitution”, Nucleic Acids Research, 2015, vol. 43, no. 17, str. 8590-8600. [COBISS.SI-ID 5786906]

20. FARRUGIA, Kristina N., MAKUC, Damjan, PODBORSKA, Agnieszka, SZACIŁOWSKI,

Konrad, PLAVEC, Janez, MAGRI, David C., “UV-visible and 1H-15n nMR spectroscopic studies of colorimetric thiosemicarbazide anion sensors”, Organic and Biomolecular Chemistry, 2015, vol. 13, iss. 6, str. 1662-1672. [COBISS.SI-ID 5651482]

21. BURJA, Klemen, ŠEGEDIN, Urban, SKALE, Saša, BERCE, Peter, ŠKET, Primož,

PROSEN, Polona, KUKANJA, Dolores, “ Improved

anticorrosion properties of polyurethane coatings based on high-solids acrylics synthesized in a high pressure reactor”, Progress in Organic Coatings, 2015, vol. 78, str. 275-286. [COBISS.SI-ID 18421782]

22. PAVŠIČ, Miha, ILC, Gregor, VIDMAR, Tilen, PLAVEC, Janez, LENARČIČ, Brigita, “The

cytosolic tail of the tumor marker protein Trop2 - a structural switch triggered by phosphorylation”, Scientiic Reports, 2015, vol. 5, str. 1-14. [COBISS.Si-iD 1536305091]

23. KOVANDA, Anja, ZALAR, Matjaž, ŠKET, Primož, PLAVEC, Janez, ROGELJ, Boris, “Anti-

sense Dna d(GGCCCC)n expansions in C9oRF72 form i-motifs and protonated hairpins”, Scientiic Reports, 2015, vol. 5, str. 17944 -1-17944 -7. [COBISS.SI-ID 29086759]

24. KRIŠTAFOR, Svjetlana, BISTROVIĆ, Andrea, PLAVEC, Janez, MAKUC, Damjan,

MARTINOVIĆ, Tamara, KRALJEVIĆ PAVELIĆ, Sandra, RAIĆ-MALIĆ, Silvana, “One-pot click synthesis of 1,2,3-triazole-embedded unsaturated uracil derivatives and hybrids of 1,5- and 2, 5-disubstituted tetrazoles and pyrimidines”, Tetrahedron Letters, 2015, vol. 56, iss. 10, str. 1222-1228. [COBISS.SI-ID 5669402]


25. MIKLAVČIČ, Matej, ČRTALIČ, Bojan, TRAJKOVSKI, Marko, PLAVEC, Janez,

“Tecnologia di granigliatura avanzata per il pretrattamento della supericie interna dei boiler prima della smaltatura (advanced shot blasting technology for processing of boiler internal surface before enameling)”, Smalto porcellanato, 2015, anno 57, n. 1, str. 53-62. [COBISS.SI-ID 5738010]

V celoti objavljeni članki (poljudni) / Full Text Articles

26. TRAJKOVSKI, Marko, PLAVEC, Janez, “Razširjen repertoar znanih struktur DNK”,

Delo, 8. januar 2015, leto 57, št. 6, str. 18. [COBISS.Si-iD 5634842]


27. PLAVEC, Janez, “NMR insights into folding intermediates and novel tetrahelical G-rich

structures”, V: The International Chemical Congress of Paciic Basin Societies, December 15-20, 2015, Honolulu, Hawaii, Honolulu, 2015, str. 1. [COBISS.Si-iD 5853210]

179


28. ŠKET, Primož, PLAVEC, Janez, “Diversity of DNA and RNA G-quadruplex structures”,

V: MONCHAUD, David (ur.), Biological relevance & therapeutic applications of DNA- & RNA-quadruplexes, London, Future Science, 2015, str. 22-36. [COBISS.SI-ID 5749018]


29. ILC, Gregor, NMR structural studies of prion proteins with inherited mutations,

doctoral dissertation, Ljubljana, 2015. [COBISS.SI-ID 282702080]


30. JERALA, Roman, PIRHER, Nina, IVIČAK-KOCJAN, Karolina, AVBELJ, Monika,

BENČINA, Mojca, HORVAT, Simon, ČEH, Eva, KOČAR, Vid, KOLAR, Katja, LONZARIĆ, Jan, LASIČ, Ana, MORI, Jerneja, SMOLE, Anže, Chimäre Flagelline für Vakzine, AT 509354 (B1), 2015-05-15, Wien, Österreichisches Petentamt, 2015. [COBISS.Si-iD 4381466]


31. ILC, Gregor, Plavec, Janez (mentor), NMR structural studies of prion proteins with

inherited mutations, doctoral dissertation, Ljubljana, 2015. [COBISS.SI-ID 282702080]

32. KOTAR, Anita, Plavec, Janez (somentor), Študij interakcij ligandov receptorja DC-SIGN

(Interaction studies of DC-SIGN ligands using nuclear magnetic resonance), magistrsko delo, Ljubljana, 2015. [COBISS.SI-ID 3914097]

33. FABJAN, Jure, Plavec, Janez (mentor), Študija G-kvadrupleksnih struktur v NRAS mRNA,

diplomsko delo, Ljubljana, 2015. [COBISS.SI-ID 1536415683]

L 16 Center za validacijske tehnologije in analitikoCentre for Validation Technologies and Analytics


1. JERMAN, Tina, GOLC-WONDRA, Alenka, VRHOVŠEK, Urška, MOZETIČ VODOPIVEC,

Branka, “Phenolic proiling of olives and their olive oil process-derived matrices using UpLC-DaD-ESi-QTOF-HRMS analysis”, Journal of Agricultural and Food Chemistry, 2015, vol. 63, iss. 17, str. 3859-3872. [COBISS.SI-ID 3803899]

2. JERMAN, Tina, GOLC-WONDRA, Alenka, VRHOVŠEK, Urška, SIVILOTTI, Paolo,

MOZETIČ VODOPIVEC, Branka, “Olive fruit phenols transfer, transformation, and partition trail during laboratory-scale olive oil processing”, Journal of Agricultural and Food Chemistry, 2015, vol. 63, no. 18, str. 4570-4579. [COBISS.SI-ID 3878395]


3. JERALA, Roman (intervjuvanec), ANDRENŠEK, Samo (intervjuvanec), BENČINA, Mojca

(intervjuvanec), Oprema je orodje, dodana vrednost so raziskovalci in ideje, Meta, 2015-, str. 1. [COBISS.SI-ID 5865242]

L 17Laboratorij za molekularno modeliranjeLaboratory for Molecular Modeling


1. MOHORIČ, Tomaž, BREN, Urban, VLACHY, Vojko, “Efects of translational and rotational

degrees of freedom on the hydration of ionic solutes as seen by the popular water models”, Acta Chimica Slovenica, 2015, vol. 62, no. 3, str. 489-497. [COBISS.SI-ID 1536357059]


2. HUDSON, Phillip S., WHITE, Justin K., KEARNS, Fiona L., HODOŠČEK, Milan, BORESCH,

Stefan, WOODCOCK, H. Lee, “Eiciently computing pathway free energies: new approaches based on chain-of-replica and non-boltzmann bennett reweighting schemes”, Biochimica et Biophysica Acta (G). General subjects, 2015, vol. 1850, iss. 5, str. 944-953. [COBISS.SI-ID 5650970]

3. POGORELČNIK, Barbara, JANEŽIČ, Matej, SOSIČ, Izidor, GOBEC, Stanislav, ŠOLMAJER,

Tomaž, PERDIH, Andrej, “4,6- substituted-1,3, 5-triazin-2(1H)-ones as monocyclic catalytic inhibitors of human DNA topoisomerase IIα targeting the ATP binding site”, Bioorganic & Medicinal Chemistry, 2015, vol. 23, iss. 15, str. 4218-4229. [COBISS.SI-ID 3886961]

4. LAJOVIC, Andrej, NAGY, Leslie D., GUENGERICH, F. Peter, BREN, Urban,

“Carcinogenesis of urethane: simulation versus experiment”, Chemical Research in Toxicology, 2015, vol. 28, iss. 4, str. 691-701. [COBISS.SI-ID 5643802]

5. POGORELČNIK, Barbara, BRVAR, Matjaž, ŽEGURA, Bojana, FILIPIČ, Metka, ŠOLMAJER,

Tomaž, PERDIH, Andrej, “Discovery of mono- and disubstituted 1H-pyrazolo[3,4]pyrimidines and 9H-purines as catalytic inhibitors of human Dna topoisomerase Iiα”, ChemMedChem, 2015, vol. 10, iss. 2, str. 345-359. [COBISS.SI-ID 5618714]

6. POPADIĆ, Aleksandar, PRAPROTNIK, Matej, KOUMOUTSAKOS, Petros, WALTHER, Jens

H., “Continuum simulations of water low past fullerene molecules”, The European Physical Journal, Special Topics, 2015, vol. 224, iss. 12, str. 2321-2330. [COBISS.SI-ID 5708058]

7. GRAF, Michael, SUCHARITAKUL, Jeerus, BREN, Urban, BINH CHU, Dinh, KOELLENSPERGER,

Gunda, HANN, Stephan, FURTMÜLLER, Paul Georg, OBINGER, Christian, PETERBAUER, Clemens, OOSTENBRINK, Chris, CHAIYEN, Pimchai, HALTRICH, Dietmar, “Reaction of pyranose dehydrogenase from agaricus meleagris with its carbohydrate substrates”, FEBS Journal, 2015, vol. 282, iss. 21, str. 4218-4241. [COBISS.SI-ID 5765402]

8. LEŠNIK, Samo, ŠTULAR, Tanja, BRUS, Boris, KNEZ, Damijan, GOBEC, Stanislav, JANEŽIČ,

Dušanka, KONC, Janez, “LiSiCA: a software for ligand-based virtual screening and its application for the discovery of butyrylcholinesterase inhibitors”, Journal of Chemical Information and Modeling, 2015, vol. 55, iss. 8, str. 1521-1528. [COBISS.SI-ID 3893361]

9. KONC, Janez, MILLER, Benjamin T., ŠTULAR, Tanja, LEŠNIK, Samo, WOODCOCK, H. Lee,

BROOKS, Bernard R., JANEŽIČ, Dušanka, “ProBiS-CHARMMing: web interface for prediction and optimization of ligands in protein binding sites”, Journal of Chemical Information and Modeling,

2015, vol. 55, iss. 11, str. 2308-2314. [COBISS.SI-ID 5806106]

10. ZAVADLAV, Julija, NUNO MELO, Manuel, MARRINK, Siewert J., PRAPROTNIK, Matej,

“adaptive resolution simulation of polarizable supramolecular coarse-grained water models”, The Journal of Chemical Physics, 2015, vol. 142, iss. 24, str. 244118-1-244118-8. [COBISS.SI-ID 5712666]

11. MOHORIČ, Tomaž, BREN, Urban, VLACHY, Vojko, “Fast rotational motion of water

molecules increases ordering of hydrophobes in solutions and may cause hydrophobic chains to collapse”, The Journal of Chemical Physics, 2015, vol. 143, iss. 24, str. 1-8. [COBISS.SI-ID 1536690627]

12. ZAVADLAV, Julija, PODGORNIK, Rudolf, PRAPROTNIK, Matej, “Adaptive resolution

simulation of a DNA molecule in salt solution”, Journal of Chemical Theory and Computation, 2015, vol. 11, iss. 10, str. 5035-5044. [COBISS.SI-ID 5756698],

13. KONC, Janez, LEŠNIK, Samo, JANEŽIČ, Dušanka, “Modeling enzyme-ligand binding

in drug discovery”, Journal of Cheminformatics, 2015, vol. 7, 48, str. 1-8, [COBISS.SI-ID 5782298]

14. BEVC, Staš, JUNGHANS, Christoph, PRAPROTNIK, Matej, “STOCK : structure

mapper and online coarse-graining kit for molecular simulations”, Journal of Computational Chemistry, 2015, vol. 36, iss. 7, str. 467-477. [COBISS.SI-ID 37695493]


GRDADOLNIK, Simona, KOCJAN, Darko, GOBEC, Stanislav, ŠOLMAJER, Tomaž, WOLBER, Gerhard, “Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC-MurF): experimental and computational characterization”, Journal of Computer-aided Molecular Design, 2015, vol. 29, iss. 6, str. 541-560. [COBISS.SI-ID 5677082]

16. OGRIZEK, Mitja, TURK, Samo, LEŠNIK, Samo, SOSIČ, Izidor, HODOŠČEK, Milan, MIRKOVIĆ,

Bojana, KOS, Janko, JANEŽIČ, Dušanka, GOBEC, Stanislav, KONC, Janez, “Molecular dynamics to enhance structure-based virtual screening on cathepsin B”, Journal of Computer-aided Molecular Design, 2015, vol. 29, iss. 8, str. 707-712. [COBISS.Si-iD 3858033]

17. TOMAŠIČ, Tihomir, KATSAMAKAS, Sotirios, HODNIK, Žiga, ILAŠ, Janez, BRVAR,

Matjaž, ŠOLMAJER, Tomaž, MONTALVÃO, Soia, TAMMELA, Päivi, BANJANAC, Mihailo, ERGOVIĆ, Gabrijela, ANDERLUH, Marko, PETERLIN-MAŠIČ, Lucija, KIKELJ, Danijel, “Discovery of 4,5,6, 7-tetrahydrobenzo[1,2-d]thiazoles as novel DNA gyrase inhibitors targeting the ATP-binding site”,

181

Journal of Medicinal Chemistry, 2015, vol. 58, iss. 14, str. 5501-521. [COBISS.SI-ID 3889009]

18. ZIDAR, Nace, MACUT, Helena, TOMAŠIČ, Tihomir, BRVAR, Matjaž, MONTALVÃO,

Soia, TAMMELA, Päivi, ŠOLMAJER, Tomaž, PETERLIN-MAŠIČ, Lucija, ILAŠ, Janez, KIKELJ, Danijel, “N-phenyl-4,5-dibromopyrrolamides and n-phenylindolamides as aTp competitive DNA gyrase B inhibitors: design, synthesis, and evaluation”, Journal of Medicinal Chemistry, 2015, vol. 58, iss. 15, str. 6179-6194. [COBISS.SI-ID 3888753]

19. KRÜSEMANN, Henning, GODEC, Aljaž, METZLER, Ralf. “Ageing irst passage time

density in continuous time random walks and quenched energy landscapes”, Journal of Physics. A, Mathematical and Theoretical, 2015, vol. 48, no. 28, str. 20. [COBISS.SI-ID 37960965]

20. GODEC, Aljaž, METZLER, Ralf, “Optimization and universality of brownian search in a

basic model of quenched heterogeneous media”, Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics, 2015, vol. 91, iss. 5, str. 1-17. [COBISS.SI-ID 37960453]

21. GODEC, Aljaž, METZLER, Ralf, “Signal focusing through active transport”, Physical

review. E, Statistical, Nonlinear, and Soft Matter Physics, 2015, vol. 92, iss. 1, str. 1-6. [COBISS.SI-ID 37960709]

22. ŠALA, Martin, KOČAR, Drago, LUKEŽIČ, Tadeja, KOSEC, Gregor, HODOŠČEK, Milan,

PETKOVIĆ, Hrvoje, “Rapid identiication of atypical tetracyclines using tandem mass spectrometric fragmentation patterns”, Rapid Communications in Mass Spectrometry, 2015, vol. 29, no. 17, str. 1556-1562. [COBISS.SI-ID 4542072]

23. MINOVSKI, Nikola, NOVIČ, Marjana, ŠOLMAJER, Tomaž, “The impact of

Mycobacterium tuberculosis gyrb point mutations on 6-luoroquinolones resistance proile: in silico mutagenesis and structure-based assessment”, RSC Advances, 2015, vol. 5, iss. 21, str. 16162-16172. [COBISS.SI-ID 5634074]

24. DELGADO-BUSCALIONI, Rafael, SABLIĆ, Jurij, PRAPROTNIK, Matej, “Open boundary

molecular dynamics”, The European Physical Journal, Special Topics, 2015, vol. 224, iss. 12, str. 2331-2349. [COBISS.SI-ID 5708314]

25. DELGADO-BUSCALIONI, Rafael, SABLIĆ, Jurij, PRAPROTNIK, Matej, “Reply to

comments by R. Klein on ˝Open boundary molecular dynamics˝”, The European Physical Journal, Special topics, 2015, vol. 224, no. 12, str. 2511-2513. [COBISS.SI-ID 5761818]


26. ŠKRLJ, Blaž, ZORC, Minja, KONC, Janez, KUNEJ, Tanja, “Development of a

framework for mapping non-synonymous single nucleotide polymorphisms (Snps) to sites corresponding to protein-protein interactions (ppis) (Razvoj programskega ogrodja za kartiranje nesinonimnih polimorizmov posameznega nukleotida (SNP) na regije, udeležene v proteinske interakcije (PPI)) ”, V: 4. Simpozij raziskovalne mreže Integromics TIME Domžale, 10. 7. 2015, TRAVEN, Eva (ur.), ZORC, Minja (ur.), KUNEJ, Tanja (ur.), iTIME brainstorming, Zbornik prispevkov (Proceedings), Domžale, Univerza v Ljubljani, Biotehniška fakulteta, Oddelek za zootehniko, 2015, str. 9-13. [COBISS.SI-ID 3607176]


27. BEVC, Staš, “ESPResSo++, STOCK in ENZO”, 2. mednarodna spomladanska šola

izike, Maribor, Oddelek za iziko Fakultete za naravoslovje in matematiko, 2015. [COBISS.SI-ID 5696794]

28. PRAPROTNIK, Matej, “Napredne metode simulacij molekulske dinamike - večskalne

simulacije z uporabo polja MARTINI”, 2. mednarodna spomladanska šola izike - delavnice iz bioizike, Maribor, Oddelek za iziko Fakultete za naravoslovje in matematiko, 2015. [COBISS.SI-ID 5696282]

29. KONC, Janez, Osnove molekularne graike, učno gradivo za študente magistrskega

študijskega programa Matematične znanosti pri predmetu Molekularna graika, Koper, Fakulteta za matematiko, naravoslovje in informacijske tehnologije, 2015. [COBISS.SI-ID 5850906]

30. ZAVADLAV, Julija, “Računalniške simulacije biomolekularnih sistemov”, 2. mednarodna

spomladanska šola izike - delavnice iz bioizike, Maribor, 2015. [COBISS.SI-ID 5697050]

31. PRAPROTNIK, Matej, “Simulacije z uporabo metode AdResS, sklopitev atomistične

in grobozrnate resolucije”, 2. mednarodna spomladanska šola izike - delavnice iz bioizike, Maribor, 2015. [COBISS.SI-ID 5696538]

32. KONC, Janez, Uporaba spletnega orodja ProBiS-ligands za napovedovanje funkcije

proteinov, učno gradivo za študente Medicine in Dentalne medicine pri predmetu Struktura in funkcija nekaterih proteinov, Ljubljana, Medicinska fakulteta, 2015. [COBISS.SI-ID 5851162]


33. KONC, Janez, Uvod v metode za simulacije molekulske dinamike, učno gradivo za

študente magistrskega študijskega programa Matematične znanosti pri predmetu Metode za simulacije molekulske dinamike, Ljubljana, Univerza na Primorskem, Fakulteta za matematiko, naravoslovje in informacijske tehnologije, 2015. [COBISS.SI-ID 5841946]

34. KONC, Janez, Uvod v osnove molekularnega modeliranja, učno gradivo za študente

magistrskega študijskega programa Matematične znanosti pri predmetu osnove molekularnega modeliranja, Ljubljana, Univerza na Primorskem, Fakulteta za matematiko, naravoslovje in informacijske tehnologije, 2015. [COBISS.SI-ID 5841690]


35. ZAVADLAV, Julija, Multiscale simulation of biomolecular systems, doctoral dissertation,

Ljubljana, 2015. [COBISS.SI-ID 2900836]


36. Journal of Chemistry (Print), Bren, Urban (član uredniškega odbora 2012-), Cairo,

Hindawi Publishing Corporation, 2012-, ISSN 2090-9063. [COBISS.SI-ID 4976666]


37. BREN, Urban (intervjuvanec), HAFNER BRATKOVIČ, Iva (intervjuvanec), LAZAR,

Timotej (intervjuvanec), “Inteligenca javnega sektorja”, sodelovanje v oddaji Tednik, RTV SLO 1, 12. 1. 2015. [COBISS.SI-ID 5664538]

38. BREN, Urban (intervjuvanec), “Preprečuje raka in podaljšuje mladost”, prispevek v

oddaji Vizita, 24ur, POP TV, 28. 9. 2015. [COBISS.Si-iD 5776666]


39. ZAVADLAV, Julija, Praprotnik, Matej (mentor), Multiscale simulation of

biomolecular systems, doctoral dissertation, Ljubljana, 2015. [COBISS.SI-ID 2900836]

40. POGORELČNIK, Barbara, Šolmajer, Tomaž (mentor), Perdih, Andrej (somentor),

Strukturno podprto načrtovanje novih zaviralcev človeške DNA topoizomeraze IIα (Structure-based design of novel human DNA topoisomerase IIα inhibitors), doktorska disertacija, Ljubljana, 2015. [COBISS.SI-ID 279351040]

41. BRGLEZ MOJZER, Eva, Bren, Urban (mentor), Računalniške simulacije direktne

alkilacije DNK z akrilonitrilom, magistrsko delo, Maribor, 2015. [COBISS.SI-ID 18969110]

42. KUNA, Tibor, Bren, Urban (mentor), Računalniške simulacije kooperativnosti

interkalacije alatoksina B1 v dvoverižno DNK, magistrsko delo, Maribor, 2015. [COBISS.SI-ID 18968854]

43. ŠTULAR, Tanja, Konc, Janez (mentor), Razvoj spletnega uporabniškega vmesnika za

program molekularnega sidranja, zaključna naloga, Koper, 2015. [COBISS.SI-ID 1537726660]

44. LEDINEK, Nina, Bren, Urban (somentor), Določevanje kritične micelne koncentracije

površinsko aktivnih snovi v vodnih raztopinah na osnovi merjenja gostote, diplomsko delo, Maribor, 2015. [COBISS.SI-ID 18968598]

45. PIKL, Špela, Konc, Janez (somentor), Vpliv nesinonimnih mutacij na proteinske

interakcije (The efect of missense mutations on protein interactions), diplomski seminar, Ljubljana, 2015. [COBISS.SI-ID 8196985]

183

Poročilo o delu 2015 / Annual report 2015Založil / Published by: Kemijski inštitut Ljubljana, Hajdrihova 19, SI-1001 LjubljanaUredili / Edited by: Brigita Pirc, Mateja Perčič, dr. Andreja Drolc (bibliograija/bibliography)Fotograije / Photo: Arhiv Kemijskega inštituta / Archive of the National Institute of ChemistryOblikovanje / Design: Creatoor d.o.o.Tisk / Print: Brecelj graika, graični inženiring d.o.o.Ljubljana, 2016

Slika na naslovnici zgoraj / Coverpage photo top: Nano- strukture na površini cvetnega prahu Lilije / nanostructures on top of a pollen dustSlika na naslovnici spodaj / Coverpage photo bottom: Površina in topograija dentalne keramike / Surface and topography of dental ceramics

Poročilo je obogateno s slikami, ki jih je ustvaril sodelavec Laboratorija za kemijo materialov, Gregor Kapun, pri svojem delu na vrstičnem elektronskem mikroskopu (FE-SEM Zeiss SUPRA 35VP) na Kemijskem inštitutu.

The Report is enriched with images, created by co-worker of the Laboratory for Materials Chemistry, Gregor Kapun, in his work on the scanning electron microscope (FE- SEM Zeiss SUPRA 35VP) at the National Institute of Chemistry.