science & technology day - chalmers

Infrastucture

Biotechnology

SCIENCE & TECHNOLOGY DAYPoster Exhibition

Chalmers University of Technology:Department of Biology and Biological EngineeringDepartment of Chemistry and Chemical Engineering

University of Gothenburg:Department of Chemistry and Molecular Biology

18 May 2017

MolecularBiology

ChemicalSystems:

Modeling &Synthesis

Process&

Production

Nanoscience&

Nanotechnology

Energy&

Enviroment

HealthNutrition

&Food Science

Materials

FÖRORD Detta häfte innehåller sammanfattningar av de posters som visas vid 2017 års Science and Technology Day på institutionerna för Kemi och kemiteknik samt Biologi och bioteknik vid Chalmers tekniska högskola, och Kemi och molekylärbiologi vid Göteborgs Universitet.

Posterutställningen har blivit en etablerad och uppskattad tradition med många deltagare. Målsättningen är att levandegöra den verksamhet som bedrivs vid institutionerna och presentera den för forskare, doktorander samt industrirepresentanter. Detta är ett unikt tillfälle att belysa den vision, vetenskapliga kompetens och experimentella utrustning som finns inom de olika ämnesområdena, styrkeområdessatsningarna samt vid kompetenscentra. Dessutom kommer de öppna infrastrukturenheterna för Masspektrometri (CMSI), Avbildande masspektrometri (CII), och Materialanalys (CMAL) att presenterade sina verksamheter.

Postrarna kommer att visas i foajén i Kemihuset på Chalmers, från onsdagen den 17 maj till och med fredagen den 19 maj. Kl. 14-16 på tisdagen den 18 maj kommer deltagarna att finnas tillgängliga för att presentera sina arbeten och svara på frågor. Under första timmen, Kl. 14-15, kommer postrar med ojämna nummer presenteras och under den andra timmen, kl. 15-16, kommer följaktligen postrar med jämna nummer presenteras. Institutionerna bjuder då på tilltugg och dryck. En jury kommer att bedöma postrarna med avseende på innehåll och design. Priser till de vinnande bidragen kommer att delas ut vid en liten ceremoni i samband med vårfesten senare under dagen den 18 maj.

Science and Technology Day bjuder på ett utmärkt tillfälle att öka gemenskapen mellan alla de grupper som sysslar med kemi, kemiteknik, biologi och bioteknik inom Chalmers och GU. Vi är övertygande om att årets posterutställning kommer att utgöra ett ypperligt tillfälle för både för trevlig samvaro och för en livlig diskussion kring vår verksamhet!

Ett stort tack går till alla som presenterar sina arbeten, samt till övriga inblandade i juryn, kansliet och vaktmästeriet för deras insatser under denna dag.

Hjärtligt välkommen!

Göteborg, maj 2017

Martina Petranikova, Carl Johan Wallentin och Johan Larsbrink

Leif Åhman, Prefekt

Stefan Hohmann, Prefekt

Göran Hilmersson, Prefekt

FOREWORD This booklet contains abstracts of the posters that will be presented during the 2017 Science and Technology Day at the departments of Chemistry and Chemical Engineering as well as Biology and Biological Engineering at Chalmers University of Technology and Chemistry and Molecular Biology at University of Gothenburg.

The poster exhibition has become an established and appreciated tradition with many participants. The aim is to visualize the work that is being done at the departments and to present it to other scientists, students, and industry representatives. This is a unique opportunity to highlight the vision, scientific competence and experimental equipment within the various research areas, areas of advance and the competence centres. In addition, the research infrastructures associated with the different departments will be represented at the poster exhibition.

The posters will be on display in the main entrance of the Chemistry building, Chalmers, from Wednesday, May 17th until Friday, May 19th, 2017. Between 14.00 and 17.00 on Thursday May 18th the participants will present their posters and will be available for discussions of their work. Posters with uneven numbers will be presented between 14.00 and 15.00. Posters with even numbers will be presented between 15.00 and 16.00. During this time, the departments will serve some refreshments and snacks. A jury will assess the posters in terms of content and design. Prizes to the winning contributions will be awarded during a ceremony, which takes place in the evening during spring party on May 18th.

The Science and Technology Day provides a great opportunity for strengthening the research community at Chalmers and GU within chemistry, chemical engineering and biotechnology. We are convinced that this year’s poster exhibition will provide an opportunity not only for lively discussions about our research activities, but also for a pleasant meeting between colleagues and students.

We would like to thank all the people presenting their work, and all others involved in making this day a successful event.

Welcome!

Gothenburg, May 2017

Martina Petranikova, Carl Johan Wallentin och Johan Larsbrink

Leif Åhman, Head of Department

Stefan Hohmann, Head of Department

Göran Hilmersson, Head of Department

TableofContents

Categories – clickable links

Nanoscience and nanotechnology

Materials

Chemical systems: modelling and synthesis

Energy and environment

Process and production

Biotechnology

Molecular biology

Health, nutrition and food science

Infrastructure

Posters Counting the Number of Enzymes Immobilized ................................................................................................ 1

Jenny Bergman, a Joakim Wigström,

b and Ann-Sofie Cans

b .............................................................................. 1

Full characterization of resistance plasmids during a nosocomial outbreak using optical DNA mapping ... 2

S. K. Bikkarolla1, V. Y. Nordberg2, M. H. Kabir2, V. Müller1, F. Rajer3, J. Fritzsche1, J. Björkman1, B. d’Aubigné1, E. Haraldsson1, A. Lindenmeyer1, I. Runneberger1, M. Velic1, T. Ambjörnsson4, C. G. Giske2, L. Sandegren3, L. Navér2, F. Westerlund1 ............................................................................................................... 2

Sub-Vesicular Distributions of Catecholamine Storage Revealed by Intracellular Cytometry Recordings in Adrenal Chromaffin Cells. ................................................................................................................................... 3

Johan Dunevalla, Soodabeh Majdib and Andrew G. Ewinga,b ............................................................................. 3

Modulation of enzyme activity on functional nanostructures ........................................................................... 4

Gustav Ferrand-Drake del Castilloa, Gustav Emilssona, Bita Malekiana, Kunli Xionga and Andreas Dahlina... 4

Detailed characterization of plasmids carrying antibiotic resistance genes using optical DNA mapping ..... 5

K. Frykholma, V. Müllera, S.K. Bikarollaa, K.K. Srirama S. Quaderia,b, T. Ambjörnssonb, L. Sandegrenc and F. Westerlunda ..................................................................................................................................................... 5

Tailor-Made Conductive BIOInks from Cellulose Nanofibers for 3D Printing of Neural Guidelines for Study of Neurodegenerative Disorders ............................................................................................................... 6

Erdem Karabuluta,c, Volodymyr Kuzmenkob,c , Elin Pernevika, Peter Enokssonb,c and Paul Gatenholma,c ......... 6

3D bioprinted skin tissue models with peptide modified cellulose nanofibrils ................................................ 7

Erdem Karabuluta,b, Louise Karlssona , Linnea Stridh Orrhulta and Paul Gatenholma,b ...................................... 7

Graphene integrated patches for tumor neutralization ..................................................................................... 8

V.R.S.S. Mokkapati, Sanja Tunjic, Santosh Pandit, Ivan Mijakovic .................................................................. 8

Diastereomeric bactericidal effect of Ru(phenanthroline)2dipyridophenazine ............................................... 9

Anna K. F. Mårtenssona, Mattias Bergentallb, Valentina Tremarolib and Per Lincolna ...................................... 9

Photocontrol RGB emitters ................................................................................................................................ 10

Gaowa Naren .................................................................................................................................................... 10

Department of Chemical and Biological Engineering, ..................................................................................... 10

Exosomes from human pancreatic islets repress human islet amyloid popypeptide (IAPP) aggregation ... 11

Diana Ribeiroa,b, Istvan Horvathb and Pernilla Wittung-Stafshedeb .................................................................. 11

Two-color photoisomerization of a Ru-sulfoxide complex in solution and immobilized on nanocrystalline TiO2. ..................................................................................................................................................................... 12

Elin Sundina, Fredrik Johanssona, Valeria Saavedra Becerrila, Joachim Wallensteina, August Gasslandera, Jerker Mårtenssona and Maria Abrahamssona ................................................................................................... 12

Nanofluidics for Single-Molecule Fluorescence Studies of DNA-Protein Interactions ................................. 13

Robin Öz, Kai Jiang, Sriram KK, Karolin Frykholm and Fredrik Westerlund ................................................. 13

Synthesis of D-A polymers and graphene-like materials for solar cell application ....................................... 14

Birhan Alkadir Abdulahiab, Wendimagegn Mammoa, Ergang Wangb .............................................................. 14

Wicking dynamics in capillaries inspired by fibre structures ......................................................................... 15

Johanna Andersson, Anna Ström, Anette Larsson ............................................................................................ 15

Antibacterial Elastin-like polypeptide coatings ................................................................................................ 16

Saba Atefyektaa, Maria Pihla , Chris Lindsayb, Sarah Heilshornb and Martin Anderssona ................................ 16

Lignin-based carbon fibre precursors readily prepared by dry-jet wet-spinning ........................................ 17

Jenny Bengtssona,b, Tobias Köhnkea, Carina Olssona and Hans Thelianderb .................................................... 17

Conjugated polymers with thermocleavable sidechains .................................................................................. 18

Kim Binia, Mats R. Anderssonb and Ergang Wanga .......................................................................................... 18

Separation of cotton and polyester using alkaline hydrolysis to enable recycling of blended textile materials............................................................................................................................................................... 19

Stina Björquista,b, Anna Palmeb ........................................................................................................................ 19

Two approaches to achieve thermoplastic arabinoxylan ................................................................................. 20

Mikaela Börjessona, Gunnar Westmana, Anette Larssona and Anna Ströma ..................................................... 20

Control of Nanocellulose Orientation by 3D printing ...................................................................................... 21

Caroline Damgaarda, Kajsa Markstedta, Karl Håkanssona, Paul Gatenholma ................................................... 21 18O2 tracer experiments to investigate the effect of cerium coatings on ferritic steel for SOFC applications .............................................................................................................................................................................. 22

Hannes Falk Windischa, Per Malmberg 2b, Mohammad Sattari 3c Jan-Erik Svenssona and Jan Froitzheima ... 22

Manufacturing for Individualised Therapy ...................................................................................................... 23

Rydvikha Govendera,b, Anette Larssonb, Susanna Abrahmsén Alamia and Staffan Folestada .......................... 23

Dissolution of cellulose in NaOH(aq) and the chemisorption of CO2 ............................................................. 24

Maria Gunnarssona, Merima Hasani a and Hans Theliandera ............................................................................ 24

Molecular orientation effect on coupling strength of hybrid light-matter states .......................................... 25

Manuel Hertzoga, Karl Börjessona .................................................................................................................... 25

Vapor Doping: A Powerful Tool to Disentangle the Impact of Processing and Nanostructure on the Electrical Conductivity of P3HT:F4TCNQ ...................................................................................................... 26

Jonna Hynynena, David Kiefera, Liyang Yua, Renee Kroona, Rahim Munirb, Aram Amassianb, Martijn Kemerinkc, and Christian Müllera ..................................................................................................................... 26

Microcellular foaming of arabinoxylan with scCO2 ......................................................................................... 27

Linda Härdelina,b, Anna Ströma,b and Anette Larssona,b ................................................................................... 27

Colloidal stability of hydrophobic nanoparticles - influence of starch and ionic strength ........................... 28

Frida Iselaua, Krister Holmberg b Romain Bordesb,c ......................................................................................... 28

Formation mechanisms of iron-nitrogen functionalized mesoporous carbons as non-precious metal cathode catalysts for fuel cells ............................................................................................................................ 29

Caroline Jansona and Anders Palmqvista .......................................................................................................... 29

Polar Side Chains Enhance Processability, Electrical Conductivity, and Thermal Stability of a Doped Polythiophene ...................................................................................................................................................... 30

David Kiefera, Renee Kroona Dominik Stegererab, Liyang Yua, Michael Sommerb and Christian Müllera ...... 30

3D Printing of Hierarchical Bone Inspired Nanocomposites .......................................................................... 31

Anand Kumar, Wenxiao He, Ali.T Bagha, Romain Bordes, Carl Sandstöm, Magnus Ekh and Martin Andersson ......................................................................................................................................................... 31

Exploring perylene based chromophores with enhanced solid state performance ....................................... 32

Khushbu Kushwaha, Kati Stranius and Karl Börjesson .................................................................................... 32

Transmission Electron Microscopy Studies on Bone-Mimetic Nanocomposites ........................................... 33

Antiope Lotsaria, Anand K. Rajasekharana and Martin Anderssona .................................................................. 33

Gelation of 3D printed nanocellulose induced by crosslinked hemicellulose ................................................. 34

Kajsa Markstedt, Guillermo Toriz Gonzalez and Paul Gatenholm ................................................................... 34

Triazolobenzothiadiazole-Based Materials for Near-Infrared Polymer Light-Emitting Diodes ................. 35

Petri Murtoa, Alessandro Minottob, Zewdneh Genenea, Andrea Zampettib, Mats R. Anderssona, Franco Caciallib, and Ergang Wanga ............................................................................................................................. 35

State-of-the-art Powder Diffraction Beamlines and In-situ Methods at the ISIS Neutron Facility ............. 36

Seikh M Habibur Rahmana, Paul Henrya,b, Stephen Hull b, Sten Erikssona ....................................................... 36

3D bioprinting of nanocellulose-laminin based constructs for induced pluripotent stem cells (iPS) differentiation ...................................................................................................................................................... 37

Erik Romberga, Erdem Karabuluta,b , Alma Forsmancde, Rocío Castro Viñuelascde, Linnea Stridh Orrhulta, Stina Simonssoncde, Paul Gatenholma,b ....................................................................................................................... 37

Nanocomposite with Polyethylene and Functionalised Cellulose Nanocrystals ............................................. 38

Karin Sahlina,b, Mikaela Börjessona, Patrik Rosendahla, and Gunnar Westmana,b ............................................ 38

High Temperature Oxidation – The Influence of Water Vapour ................................................................... 39

Tommy Sanda, Christine Geersa ........................................................................................................................ 39

Synthesis of novel functionalized graphene derivatives ................................................................................... 40

Severin Schindlera, Steffen Brüllsa and Siegfried Eiglerb ................................................................................. 40

Strong light matter interactions for facilitated light emission ........................................................................ 41

Kati Stranius and Karl Börjesson ...................................................................................................................... 41

Analysis of the poroviscoelastic behavior of covalently crosslinked hydroxyethylcellulose for biomedical applications .......................................................................................................................................................... 42

Antonella Vietria, Diego Caccavoa,Gaetano Lambertia, Anna Strömb,c, Anette Larssonb,c .......................... 42

Tailored mesoporous silica for the immobilization of formaldehyde dehydrogenase ................................... 43

Milene Zezzi do Valle Gomes and Anders Palmqvist....................................................................................... 43

Towards efficient synthetic methods for non-toxic monomers and polymers for organic electronics......... 44

Josué Ayuso, Ergang Wang .............................................................................................................................. 44

Absolute Asymmetric Synthesis of a Tungsten Carbonyl Complex that Gives Strong Signals in Solid State VCD ...................................................................................................................................................................... 45

Per Martin Björemark and Mikael Håkansson .................................................................................................. 45

Mysterious formation of diatomic molecules in space: Radiative association of CH .................................... 46

Daria Burdakovaa, Magnus Gustafssonb, and Gunnar Nymana ......................................................................... 46

Triplet to singlet energy transfer in composite molecules ............................................................................... 47

Alexei Cravcencoa and Karl Börjessona ............................................................................................................ 47

Towards the Development of Release-and-Report Kinase Inhibitors as Molecular Tools for Investigating Neurodegenerative Disorders ............................................................................................................................. 48

Cassandra Fleminga, Morten Grøtlib and Joakim Andréassona ......................................................................... 48

Photocatalytic Reduction of Aromatic Carboxylic Acids to Corresponding Aldehydes ............................... 49

Sebastian Kaminski, Henrik Nordensvan, and Carl-Johan Wallentin* ............................................................ 49

Strategies towards PROTAC-mediated Myc degradation .............................................................................. 50

P.-St. Kuhn,a,b L. Green,a B. Louchez,b L. M. Nilsson,a J. Mårtensson,b and J. A. Nilssona ............................. 50

Open your eyes to drug release from a cloudy solution ................................................................................... 51

Filip Nylandera, Gunnar Westmana ................................................................................................................... 51

Redox Neutral Dual Functionalization of Electron Deficient Alkenes ........................................................... 52

Fredrik Petterssona, Giulia Bergonzinib, Carlo Cassania, and Carl-Johan Wallentina ....................................... 52

Covalent organic framework films on surfaces ................................................................................................ 53

Martin Ratscha and Karl Börjessona .................................................................................................................. 53

Discovering the influence of the underlayer in Cu2O photocathodes ............................................................. 54

Alberto Visibilea, Michael Buschb, Alessandro Minguzzia, Alberto Vertovaa, Sandra Rondininia and Elisabet Ahlbergc 54

Source apportionment of particulate matter sampled during ships’ emission measurement campaign in the city of Gothenburg, Sweden ......................................................................................................................... 55

Samuel M. Gaitaa, Fredrik Qvicka, Dan Galla, Jan B. C. Petterssona, Erik Thomsona and Johan Bomana ........ 55

Novel organic materials for aqueous flow batteries ......................................................................................... 56

Cedrik Wiberga and Ergang Wanga ................................................................................................................... 56

Triplet-Triplet Annihilation Photon Upconversion: Altering the Solar Spectrum ....................................... 57

Victor Graya, Ambra Dreosa, Damir Dzeboa, Karl Börjessonb, Paul Erhartc, Bo Albinssona, Maria Abrahamssona and Kasper Moth-Poulsen ......................................................................................................... 57

Effects of suphuric acid and limonene ozonolysis products coatings on soot morphology and hygroscopicity ...................................................................................................................................................... 58

X.Y. Peia, M. B. Poulsenb, A. C. Erikssonb, E. Ahlbergc, E. Z. Nordinc, J. H. Pagelsc, B. Svenningssonb, E. Swietlickib, M. Hallquista, and R. K. Pathaka .................................................................................................... 58

A Bottom-up Operando DRIFTS Study of the Inhibiting Effect of Water on Methane Oxidation Catalysts Title ...................................................................................................................................................................... 59

Peter Velina, Magnus Skoglundha, and Per-Anders Carlssona .......................................................................... 59

Liquid water stability on atmospheric particle surfaces .................................................................................. 60

Dimitri Castarèdea, Merete Bildeb and Erik Thomsona ..................................................................................... 60

Synthesis of New Norbornadienes for Solar Energy Storage Applications and Testing in Devices ............. 61

Ambra Dreos,a Karl Börjesson,b Zhihang Wang,a and Kasper Moth-Poulsen1a ............................................... 61

Clean drinking water, naturally! ....................................................................................................................... 62

Simon Isakssona, Fredrik Höökb and Martin Anderssona .................................................................................. 62

Environmental Molecular Beam Studies of Molecular Level Interactions between Water and a Condensed Nopinone Surface ................................................................................................................................................ 63

Sofia M. Johanssona, Xiangrui Konga,b, Erik S. Thomsona, and Jan B. C. Petterssona ..................................... 63

Dream Reaction Come Ture? Direct Conversion of Methane to Methanol over Cu-Zeolites...................... 64

Xueting Wang, Magnus Skoglundha, Johan Gustafsonb, Anders Hellmana and Per-Anders Carlssona ............ 64

Phosphorus recovery from a seaweed-based biorefinery ................................................................................ 65

Viktor Anderssona, Joakim Olssonb and Eva Albersb ....................................................................................... 65

Flexible and efficient Hydrometallurgical recycling of Li-Ion batteries of different chemistry .................. 66

Gabriele Lombardoa, Martina Petranikovaa, Burcak Ebina, Britt-Marie Steenaria, Christian Ekberga .............. 66

Investigating the effect of Fe as a poison for catalytic HDO over Ni-MoS2 catalysts ................................... 67

Prakhar Aroraa, Houman Ojagha, Jungwon Wooa, Louise Olssona, Stefan Nyströmb , Eva Lind Grennfeltb and Derek Creasera .................................................................................................................................................. 67

Synthesis, structure and ionic conduction of Ba2MTaO6 (M= Ce, Pr) ........................................................... 68

Seikh M Habibur Rahmana, Xuncheng Shia, Sten Erikssona ............................................................................ 68

A comparison of different Continuum modeling of particle flows in high shear granulation ...................... 69

Mohammad Khalilitehrani1, Eva Maria Gomez Fino 1, Per J. Abrahamsson1 and Anders Rasmuson1 ............. 69

Supercritical fluid extraction of berry seeds: chemical composition, and antioxidant properties ............... 70

Graziele Gustinelliab, Lovisa Eliassonb, Cecilia Svelandera, Thomas Andlida, Leif Lundina, Lilia Ahrnéabc and Marie Almingera ................................................................................................................................................ 70

Organosolv1 Biomass Pretreatment for Fuel Production ................................................................................ 71

Vijayendran Raghavendran, Christos Nitsosb, Ulrika Rovab, Paul Christakopoulosb, and Lisbeth Olssona ...... 71

Electrified fermentations enhance anaerobic lysine production by Corynebacterium glutamicum .............. 72

Nikolaos Xafeniasa and Cathleen Kmezika ....................................................................................................... 72

Experimental and numerical investigation of hydrodynamics of vertical falling films in a large-scale pilot unit ........................................................................................................................................................................ 73

Anders Åkesjöa, Mathias Gourdona,b, Lennart Vamlinga, Fredrik Inningsc and Srdjan Sasicd ......................... 73

The Effect of Gut Microbiota Dysbiosis on Malnourishment ......................................................................... 74

Parizad Babaeia, Manish Kumara, Boyang Jia and Jens Nielsena ...................................................................... 74

Constraint-based modelling of yeast mitochondria ......................................................................................... 75

Carl Malinaa and Jens Nielsena ......................................................................................................................... 75

Biochemical and structural investigation of the CE15 family of enzymes: important enzymes acting to liberate hemi-cellulose from lignin .................................................................................................................... 76

Scott Mazurkewicha, Jenny Arnling Bååtha, Amanda Sörensen Ristinmaaa, Jens-Christian Navarro Poulsenb, Lisbeth Olssona, Leila Lo Leggiob and Johan Larsbrinka .................................................................................. 76

Global analysis of secondary metabolite biosynthetic gene clusters reveals production of antibiotic yanuthones in penicillium species ...................................................................................................................... 77

Jens Christian Nielsena, Sietske Grijseelsb, Sylvain Prigenta, Boyang Jia and Jens Nielsena ............................ 77

Enzyme usage in yeast during stress ................................................................................................................. 78

Benjamín J. Sánchezab, Petri-Jaan Lahtveec, Eduard J. Kerkhovenab and Jens Nielsenab ............................. 78

Discovery of novel cellulose degrading enzymes from soil-dwelling Bacteroidetes ........................................ 79

Marcel Taillefera and Johan Larsbrinka ............................................................................................................. 79

Characterization of three putative Glucuronoyl Esterases from a Solibacter species ................................... 80

Jenny Arnling Bååth, Scott Mazurkewich, Amanda Sörensen Ristinmaa, Lisbeth Olsson and Johan Larsbrink .......................................................................................................................................................................... 80

Feruloyl esterases, effects of glycosylation on activity, stability and immobilizationitle .............................. 81

Cyrielle Bonzoma, Sun-Li Chonga, Silvia Hüttnera, Laura Lancub and Lisbeth Olssona .................................. 81

Massive directed evolution for industrially relevant microbes ....................................................................... 82

Payam Ghiacia, Jonas Warringerb ..................................................................................................................... 82

Modelling and Simulation of Bioprintability of Hydrogels Based on Nanocellulose/Alginate ..................... 83

Johan Göhla, Andreas Marka, Simon Ingelstena, Kajsa Markstedtbc, Caroline Damgaardbc, Karl Håkanssonbc, Paul Gatenholmbc and Fredrik Edelvika ................................................................................... 83

Microalgal biorefineries – Optimisation of pigment extraction from a recalcitrant strain .......................... 84

Zélie Jeannot, Joshua Mayers and Eva Albers .................................................................................................. 84

Design of a bio-based adipic acid microbial cell factory: the challenging choice of microbial host and metabolic pathway .............................................................................................................................................. 85

Emma Karlssona, Lisbeth Olssona and Valeria Mapellib ................................................................................... 85

Histology-Compatible MALDI Mass Spectrometry Based Imaging of Neuronal Lipids for Subsequent Immunofluorescent Staining .............................................................................................................................. 86

Ibrahim Kayaa,b, Wojciech Michnoa, Dimitri Brineta,b, Yasmine Iaconea, Kaj Blennowa, Henrik Zetterberga,c, and Jörg Hanrieder*a,c ....................................................................................................................................... 86

Modelling and uncertainty assessment for Simultaneous Saccharification and Co-Fermentation (SSCF) processes............................................................................................................................................................... 87

David Benjamin Nickel, Carl Johan Franzén .................................................................................................... 87

Genome Scale Modelling of Amino Acid Metabolism in Liver Cancer .......................................................... 88

Avlant Nilssona, Jurgen R. Haanstrab, Thijs Tinneveldb, Irina Titkovac, Joep Vanlierd, Jens Timmerd, Ursula Klingmüllerc, Frank J. Bruggemanb, Bas Teusinkb and Jens Nielsena .............................................................. 88

Critical redox processes during enzymatic saccharification of plant biomass: Lytic polysaccharide monooxygenases at play ...................................................................................................................................... 89

Ausra Peciulytea, Louise Samuelssona, Lisbeth Olssona and Katja S. Johansena,b ............................................ 89

Engineering ammonia-lyases for lysine transformation: first steps to green production of adipic acid ..... 90

Veronica Saez-Jimeneza, Matteo Lambruguib, Elena Papaleob, Lisbeth Olssona and Valeria Mapellia ............ 90

Less is More! Development of a Minimalized Lipid Metabolism strain of Saccharomyces cerevisiae ......... 91

Paulo Gonçalves Teixeira* a,b, Raphael Ferreira* a,b, Verena Siewersa,b and Jens Nielsena,b ............................ 91

Bottlenecks in lignocellulosic ethanol production: xylose fermentation and cell propagation ..................... 92

Marlous van Dijk, Lisbeth Olsson 2 .................................................................................................................. 92

In Situ 3D Bioprinting of Skin: From Proposal to Project .............................................................................. 93

Ian Maitlanda, Paul Gatenholm ......................................................................................................................... 93

Discovery of ulvan-acting enzymes for green seaweed bio-refinery ............................................................... 94

Venkat Rao Konasania, and Eva Albersa ........................................................................................................... 94

Tolerance to adipic acid for future microbial cell factories: Candida viswanathii vs. Saccharomyces cerevisiae .............................................................................................................................................................. 95

Mariateresa Feronea, Emma Karlssonb, Valeria Mapellic and Lisbeth Olssonb ................................................. 95

High Throughput Identification of Chromosomal Determinants of Conjugative Efficiency in Escherichia coli ........................................................................................................................................................................ 96

Hanna Alalam a,b, Fabrice E. Graf a,b, Martin Zackrisson a, Per Sunnerhagen a,b, Jonas Warringer a,b and Anne Farewell a,b ........................................................................................................................................................ 96

Dynamic allocation of the yeast proteome ........................................................................................................ 97

Johan Björkerotha & Jens Nielsena.................................................................................................................... 97

Strategies towards PROTAC-mediated Myc degradation .............................................................................. 98

P.-St. Kuhn,a,b L. Green,a B. Louchez,b L. M. Nilsson,a J. Mårtensson,b and J. A. Nilssona ............................. 98

Determining the total octopamine content of the vesicles of Drosophila larvae varicosities ......................... 99

Anna Larssona, Soodabeh Majdia and Andrew Ewinga,b ................................................................................... 99

Investigating differentiation of keratinocytes in vitro .................................................................................... 100

Monika Malaka*, Hanna Thomsena, Kerryn Elliottb, David Gustafssonc, Johanna Deinumd, Christina Österlunde, and Marica B. Ericsona,f * ............................................................................................................. 100

Partners in Cancer? – Finding New Functions of the Copper Chaperone Atox1 ....................................... 101

Maria Matson Dzeboa, Stéphanie Blockhuysa and Pernilla Wittung-Stafshedea ............................................. 101

THz induced anisotropy in bovine trypsin ...................................................................................................... 102

Viktor Ahlberg Gagnéra, Hassan Bassereha, Ida Lundholma, Maria-José Garcia-Bonetea, Vitali Zhaunerchykb, Gleb Bourenkovb, Thomas Schneiderc, Gergely Katonaa ............................................................................... 102

Lipid chemical properties strongly affect the membrane interaction and aggregation mechanism of alpha-synuclein protein ............................................................................................................................................... 103

Sandra Rocha, Jūris Kiškis, Pernilla Wittung-Stafshede ................................................................................. 103

Predicting gene expression levels from transcription factor binding events through machine learning ... 104

Christoph S Boerlin, David Bergenholm, Petter Holland and Jens Nielsen .................................................... 104

A stretched conformation of DNA with a biological role? ............................................................................. 105

N. Bosaeusa, A. Reymerb, T. Beke-Somfaic, T. Brownd, M. Takahashie, P. Wittung-Stafshedea, S. Rochaa and B. Nordénf ....................................................................................................................................................... 105

Cross‐talkbetweenamyloidogenicproteinsintype‐2diabetesandParkinson'sdisease. .............. 106

Istvan Horvath and Pernilla Wittung-Stafshede .............................................................................................. 106

Isolation and Identification of Lactic Acid Bacteria from Swedish Grain Legumes Phaseolus vulgaris and Pisum sativum .................................................................................................................................................... 107

Cecilia Mayer Labbaa, Thomas Andlida .......................................................................................................... 107

Fermented Rye Bran Reduce Low Density Lipoprotein Cholesterol and C-reactive protein – human intervention study in Shanghai. ....................................................................................................................... 108

Kia Nöhr Iversena, Xue Kunb, Anders Johanssonc, Tayi Jinb, Göran Hallmansc, Per Åmand, Yuwei Liub, Gengsheng Heb and Rikard Landberga ............................................................................................................ 108

Plasma metabolites associated with type 2 diabetes in a Swedish population - a nested case-control study ............................................................................................................................................................................ 109

Lin Shi a, Carl Brunius a, Marko Lehtonen b,c, Seppo Auriola b,c, Ingvar A. Bergdahl d, Olov Rolandsson d, Kati Hanhineva c,e, Rikard Landberg a,b,f ................................................................................................................. 109

Developing food protein ingredients from Swedish fish filleting rest raw materials .................................. 110

Mehdi Abdollahi, Ingrid Undeland ................................................................................................................. 110

Dietary Protein Sources Beyond Proteins and Amino Acids - A Comparative Study of the Small Molecular Weight Components of Meat and Fish using Metabolomics ......................................................................... 111

Alastair Rossa, Andrew Vincenta, Otto I Savolainena, Ann-Sofie Sandberga, Ingrid Undelanda .................... 111

Isolation of proteins from Swedish seaweeds, Porphyra umbilicalis, Ulva lactuca and Saccharina latissima ............................................................................................................................................................................ 112

Hanna Harryssona, Maria Hayes b, Friederike Eimer c, Ingrid Undelanda ....................................................... 112

Biomarkers of food intake and nutrient status are associated with glucose tolerance status and development of Type 2 diabetes ....................................................................................................................... 113

Otto Savolainena, Mads Vendelbo Lindb, Göran Bergströmc, Björn Fagerbergc, Ann-Sofie Sandberga and Alastair Rossa .................................................................................................................................................. 113

In Vivo Chondrogenesis in 3D Bioprinted Human Cell-laden Hydrogel Constructs .................................. 114

L Stridh Orrhulta, P Apelgrenb,c, M Amorosob,c, L Kölbyb,c and Paul Gatenholma,d ....................................... 114

Oxidation of marine oils during in vitro digestion with human gastrointestinal juices – role of oil origin, lipolytic action and added tocopherols ............................................................................................................ 115

Tullberg, C.a, Vegarud, G.b and Undeland, I.a ................................................................................................. 115

The effects of curcumin on humans: Metabolomics analysis of serum samples from a randomized, double blind, crossover intervention trial with highly bioavailable curcumin ......................................................... 116

Wiebke Böttgera,b, Jan Frankb and Alastair Rossa ........................................................................................... 116

Multivariate Modelling with Unbiased Variable Selection............................................................................ 117

Carl Bruniusa,b, Lin Shia,b and Rikard Landberga,b,c ........................................................................................ 117

Data correction for pre-analytical sample handling in plasma metabolomics ........................................... 118

Carl Bruniusa*, Anders Pedersenb, Daniel Malmodinb, B. Göran Karlssonb, Lars Anderssonc, Gunnel Tybringd, Rikard Landberga ............................................................................................................................ 118

3D Modelling of Facial Skin Surfaces for 3D printing ................................................................................... 119

E. Ekberga, L. Kölbyb, E. Mårtensson Djäkenc, F. Kahla and P. Gatenholmd ................................................. 119

Extruded snacks produced from bilberry press cake .................................................................................... 120

Gabriel Barbosaa, Evelina Höglundb, Lovisa Eliassonb, Valérie Almlic, Nesli Sozerd and Marie Almingera . 120

3D Bioprinting of a human skin tissue model ................................................................................................. 121

Janni Sundén, Linnea Stridh Orrhult and Paul Gatenholm ............................................................................. 121

Diagnosis of basal skin cancer by imaging lipids and metabolites using ToF-SIMS ................................... 122

Marwa Munema, Kelly Dimovska Nilssona, Oscar Zaar b, John Paoli b and John S. Fletchera ....................... 122

Analysis of avenanthramides in oat products ................................................................................................. 123

Angela Pridala, Alastair Rossa ......................................................................................................................... 123

Early dietary exposure is associated with allergy development in the FARMFLORA birth cohort ......... 124

Karin Jonssona, Malin Barmana, Agnes Woldb and Ann-Sofie Sandberga ...................................................... 124

Identifying metabotypes for personalised nutrition in the Diet, Cancer and Health – Next Generations cohort ................................................................................................................................................................. 125

Agnetha L. Rostgaard-Hansena,b, Anne Tjønnelanda, Jytte Halkjæra, Carl Bruniusb and Rikard Landbergb .. 125

Towards Celiac-safe foods: ............................................................................................................................... 126

Proposing ascorbyl palmitate and ZnCl2 as inhibitors of transglutaminase 2 interaction with gliadin .... 126

Niklas Engströma, Patricia Saenz-Méndezbc, Johan Scheersd and Nathalie Scheersa ...................................... 126

The role of whole grain intake in low grade systemic inflammation ............................................................ 127

Nor Adila Mhd Omara, Huaxing Wub, Alicja Wolka and Rikard Landbergb,c ................................................ 127

Chalmers Mass Spectrometry Infrastructure ................................................................................................ 128

A Chalmers infrastructure serving the analytical needs of biology and chemistry researchers ...................... 128

Chemical Imaging Infrastructure (CII) .......................................................................................................... 129

Per Malmberg .................................................................................................................................................. 129

Chalmers Materials Analysis Laboratory ....................................................................................................... 130

Stefan Gustafssona, Katarina Logga and Anders Kvista .................................................................................. 130

BioMS – a national infrastructure for proteomics and lipidomics ............................................................... 131

NANOSCIENCE AND NANOTECHNOLOGY

Poster 1

Counting the Number of Enzymes Immobilized onto a Nanoparticle Coated Electrode

Jenny Bergman, a Joakim Wigström,

b and Ann-Sofie Cans

b

a Department of Chemistry and Molecular Biology, Gothenburg University b Department of Chemistry and Chemical Engineering, Chalmers University of

Technology Email: [email protected]

We have focused on new strategies for enzyme based amperometric biosensor design aimed for electrochemical detection of non-electroactive neurotransmitter (e.g. acetylcholine and glutamate) release from single cells as well as in vivo measurements of molecules important for brain function e.g. glucose and lactate. For recordings of both fast neurotransmitter alternations in the brain and single vesicle exocytotic events a sensor with high temporal resolution is required. We recently developed an acetylcholine sensor, and showed that by careful characterization and limiting the enzymes covering a gold nanoparticle coated carbon fiber electrode surface to close to a monolayer, the speed of an enzymatic biosensor can reach response times fast enough to resolve single vesicle release events1 Here in this work, we present a facile technique for direct quantification of the number of glucose oxidase (GOx) molecules bound to the surface of gold nanoparticle (AuNP) coated carbon electrode surface This method is based on an electrochemical stripping technique2 that dissolves the bioconjugates from the electrode surface followed by quantification of the fluorescently labeled enzymes that are surface released by this process. By correlating the quantified number of immobilized enzymes as determined by fluorescence with the number of deposited AuNP at these electrode surfaces we calculated that there are 1.1 0.2 enzymes per AuNP, diameter 12 1, (n=6) and that each enzyme occupies an average footprint area of 180 nm2 of a nanoparticle with a surface area of approximately 200 nm2 .This result shows that at these GOx concentrations used to immobilize the enzyme to the electrode surface, a monolayer of GOx is formed at the AuNP modified electrode surface with an enzyme footprint that indicates moderate shape changes during immobilization.

References. 1J.D. Keighron et.al. ACS Chem. Neurosci., 2015, 6 (1), pp 181–188 2 Ying Wang et.al Analyst, 2012, 137, 4693.

Poster 2

Full characterization of resistance plasmids during a nosocomial outbreak using optical DNA mapping

S. K. Bikkarolla1, V. Y. Nordberg2, M. H. Kabir2, V. Müller1, F. Rajer3, J. Fritzsche1, J. Björkman1, B. d’Aubigné1, E. Haraldsson1, A. Lindenmeyer1, I. Runneberger1, M. Velic1, T. Ambjörnsson4, C. G. Giske2, L. Sandegren3, L. Navér2, F. Westerlund1

1Department of Biology and Biological Engineering, Chalmers University of Technology, Gothenburg, Sweden. 2Department of Laboratory Medicine, Karolinska Institutet, Stockholm, Stockholm, Sweden. 3Department of Medical Biochemistry and Microbiology, Uppsala University, Uppsala, Sweden. 4Department of Astronomy and Theoretical Physics, Lund University, Lund, Sweden.

Email: [email protected]

Resistance to anti-biotic drugs increases worldwide due to the spread of multi resistant bacteria. Bacterial plasmids are extensively involved in the spread of the anti-biotic resistant genes [1]. Diagnostic tools that can trace the transmission of the bacterial plasmids in hospital samples can therefore be of huge importance. In this project plasmids originating from samples collected during a resistance outbreak at a neonatal ward at Karolinska University Hospital in Stockholm were studied by using optical mapping in nanofluidic channels. This method is based on forming emission intensity variation along the plasmids, DNA barcodes, that can be used for characterization and tracing of plasmids [2]. Recently we also demonstrated that the gene causing the resistance can be identified by using Cas9 reaction [3]. Isolates obtained from sixteen different patients were studied with the optical mapping method. We demonstrated that at the start of the outbreak, all the patients carried K. pneumonia bacteria that contain two plasmids of sizes 80 kb and 220 kb. In all the patients, the antibiotic resistance causing gene was present on the 80 kb plasmids. The same two plasmids were identified also later during the outbreak and the antibiotic resistant gene was still located on the 80 kb plasmid. Later during the outbreak some patients also carried E. Coli bacteria that had a plasmid of size 130 kb where the gene was not present on the plasmid DNA, suggesting that it had been transferred to the chromosomal DNA. Our results show that optical mapping in nanochannels is an easy and rapid method for detection of the plasmids that carry resistant gene.

References: (1) Svara, F. and D.J. Rankin, The evolution of plasmid-carried antibiotic resistance. BMC Evolutionary Biology, 2011. 11(1): p. 130. (2) Müller, V., et al., Rapid Tracing of Resistance Plasmids in a Nosocomial Outbreak Using Optical DNA Mapping. ACS Infectious Diseases, 2016. 2(5): p. 322-328. (3) Müller, V., et al., Direct identification of antibiotic resistance genes on single plasmid molecules using CRISPR/Cas9 in combination with optical DNA mapping. Scientific Reports, 2016. 6: p. 37938.

Poster 3

Sub-Vesicular Distributions of Catecholamine Storage Revealed by Intracellular Cytometry Recordings in Adrenal Chromaffin Cells.

Johan Dunevalla, Soodabeh Majdib and Andrew G. Ewinga,b

aDepartment of Chemistry and Chemical Engineering, Chalmers University of Technology

bDepartment of Chemistry and Molecular Biology, University of Gothenburg Email: [email protected]

Exocytosis is the process, in which an electrical signal is converted into a chemical signal. It for example occurs in neurons where an action potential (electrical signal) triggers the fusion of neurotransmitter containing vesicles with the cell outer membrane and neurotransmitters are released into the synaptic cleft acting as a chemical signal.

Despite the importance of the exocytotic process, it is relatively poorly understood. We have previously reported on a technique, which allows quantification of content in individual vesicles.1 Here we further study the information of those responses. We have been able to distinguish two distinct phase and quantitively assign the amount of catecholamines stored in the two compartments (Halo and Dense-core) of the vesicles.

Figure. (A) a representative amperometric spike with two distinct phases identified by computer

analysis, a fast phase (red) and a slow phase (blue), corresponding to release from different

compartments within the vesicle. Shown in (B) is a cartoon of a large dense-core vesicle showing the

two compartments, Halo (fast phase) and Dens-core (slow phase).

References. 1. Quantitative Measurement of Transmitters in Individual Vesicles in the Cytoplasm of Single

Cells with Nanotip Electrodes. X Li, S. Majdi, J. Dunevall, H. Fathali and A. G. Ewing Angewandte Chemie Int. Ed., 2015, 54(41), 11978-11982

B A

Poster 4

Modulation of enzyme activity on functional nanostructures

Gustav Ferrand-Drake del Castilloa, Gustav Emilssona, Bita Malekiana, Kunli Xionga and Andreas Dahlina

aApplied Surface Chemistry Chalmers University of Technology Email: [email protected]

My field of research involves studying biomolecules immobilized on functional nanostructures. Immobilization of biomolecules with precise control of conformational changes, composition and spatial position could result in novel sensor designs and enzyme-based nanoreactors(1). Success of such devices rely on replicating key elements of the native biological conditions while introducing additional benefits such as improved stability of the adsorbed biomolecules and low desorption. Functional macromolecule materials such as polyelectrolytes can be used to anchor and encapsulate biomolecules and play an important role to simulate dynamic environments like those found in biological systems. To preserve and modulate activity of enzymes it is desirable to isolate enzymes in small volumes where exposure to reactants occur on-demand and through sophisticated signaling pathways. Nanopore structures with thicknesses approaching 100 nm also allows small reaction chambers where products and reactants are readily replaced and introduced, while maintaining confinement beneficial to enzyme activity in attoliter quantities(2). In addition, nanostructures exhibiting plasmon resonances are advantageous as solid support materials since they enable sensing and quantification of immobilized biomolecules, a problem often encountered when evaluating enzymatic activity. A key material of our enzyme nanostructures are the polyelectrolyte brushes which provide an interface between the solid nanostructure and the biomolecule under observation. Polyelectrolytes brushes are an appealing material for immobilizing biological compounds such as enzymes, due to high capacity of adsorption (more than a monolayer). Here we examine immobilization strategies of enzymes on polymer brushes. We demonstrate a characterization method of the structure and height of polyelectrolytes in hydrated and dehydrated conditions using Surface Plasmon Resonance (SPR).

References. 1. Küchler A, Yoshimoto M, Luginbühl S, Mavelli F, Walde P. Enzymatic reactions in confined

environments. Nat Nanotechnol [Internet]. 2016;11(5):409–20. Available from: http://dx.doi.org/10.1038/nnano.2016.54

2. Dahlin AB. Sensing applications based on plasmonic nanopores: The hole story. Analyst. 2015;140:4748–59.

Poster 5

Detailed characterization of plasmids carrying antibiotic resistance genes using optical DNA mapping

K. Frykholma, V. Müllera, S.K. Bikarollaa, K.K. Srirama S. Quaderia,b, T. Ambjörnssonb, L. Sandegrenc and F. Westerlunda

aDept. Biology and Biological Engineering, Chalmers University of Technology, Sweden, bDept. Astronomy and Theoretical Physics, Lund University, Sweden, cDept.

Medical Biochemistry and Microbiology, Uppsala University, Sweden Email: [email protected]

Antibiotic resistance is a major threat to global human health. A large fraction of all resistance mechanisms are encoded by genes on bacterial plasmids that can readily spread between bacterial strains and species. Efficient characterization of plasmids is therefore important. We have recently developed an optical DNA mapping protocol,1 perfectly suited for studying bacterial plasmids.2,3 In a single experiment, finalized in less than three hours, we determine the number of different plasmids in a sample, their sizes and on which plasmid a specific gene is present, information that traditionally require several different, time-consuming techniques. Bacterial plasmids are stained with netropsin and YOYO-1, creating an emission intensity variation along the DNA, a DNA barcode, that can be visualized using fluorescence microscopy by confining the plasmids to nanofluidic channels (~100x150 nm2). Information about the presence of specific genes is obtained by treating the plasmid sample with Cas9 nuclease, loaded with an RNA complementary to a 20 bp stretch in the gene of interest. Cutting by Cas9 linearizes the circular plasmid and a majority of plasmids linearized at the same location along the sequence confirms that the restriction has occurred and thus that the gene is present.

Figure. Left: Schematic outline of the method. Right: Theoretical barcode (black line) and experimental

consensus barcode (red line) of fully sequenced plasmid pUUH239.2. Open circles show the location of

the blaCTX-M-15 (red) and RepA2 (blue) genes along the theoretical barcode. The histogram below shows

where plasmids have been linearized in samples with Cas9 targeting blaCTX-M-15 (red), repA2 (blue) and

control cut by light (green), respectively. Horizontal lines show levels of statistical significance.

References. 1. A. N. Nilsson, G. Emilsson, et al, Nucleic Acids Research 2014, 42, e118. 2. L. K. Nyberg, S. Quaderi, et al., Scientific Reports 2016, 6, 30410. 3. V. Müller, F. Rajer, et al Scientific Reports 2016, 6, 37938.

Poster 6

Tailor-Made Conductive BIOInks from Cellulose Nanofibers for 3D Printing of Neural Guidelines for Study of Neurodegenerative

Disorders

Erdem Karabuluta,c, Volodymyr Kuzmenkob,c , Elin Pernevika, Peter Enokssonb,c and Paul Gatenholma,c

aDepartment of Chemistry and Chemical Engineering, Chalmers bDepartment of Microtechnology and Nanoscience, Chalmers

cWallenberg Wood Science Center Email: [email protected]

3D scaffolds for neural tissue engineering (TE) have significant positive effects on cell development by more realistic mimicking of an actual neural tissue and a higher spatial freedom for cell interaction. A versatile and precise method of 3D printing, which relies on controlled solidification of biocompatible inks, is the most promising method of 3D manufacturing to date. The aim of the present work is to develop a conductive nanocellulose-based ink for 3D printing of neural TE guidelines and to provide insight into the factors that help to guide attachment, proliferation and differentiation of neural cells. It is demonstrated that by controlling the charge of ink constituents, i.e. cellulose nanofibers (CNFs) and carbon nanotubes, it is possible to deposit guidelines with sufficient shape fidelity and electrical conductivity. The confocal microscopy images revealed considerable inclination of neural cells towards following the 3D printed conductive guidelines. Moreover, the results of cell culturing show that the guidelines have positive influence on cells’ attachment, proliferation and differentiation. As far as we know, this is the first research effort devoted to using cost-effective cellulosic 3D printed structures in neural TE, and, apparently, much more are expected to arise in the near future.

Figure 1. Schematic illustration of neural guidelines fabricated by using 3D printable tailor-made

composite CNF/CNT ink.

Poster 7

3D bioprinted skin tissue models with peptide modified cellulose nanofibrils

Erdem Karabuluta,b, Louise Karlssona , Linnea Stridh Orrhulta and Paul Gatenholma,b

aDepartment of Chemistry and Chemical Engineering, Chalmers bWallenberg Wood Science Center


3D Bioprinting is a revolutionary technology which will in future make possible fabrication of human tissue and organs. The use of biocompatible inks and human cells in 3D Bioprinters enables a rapid manufacturing of 3D tissues and the precise control over microarchitecture and functionality of cell-laden constructs. The printing versatility of bioinks together with living cells diminishes the risk for poor cell viability and cell accessibility throughout the 3D network. A typical bioink consist of cells mixed with hydrogels to generate a good distribution of cells inside the 3D scaffold.

In this study, cell adhesive peptide-modified cellulose nanofibril-based bioinks were prepared to construct 3D bioprinted structures of skin tissue models. The cellulose nanofibrils were bioconjugated with a cell adhesive peptide, GRGDSP (G: glycine; R: arginine; D: aspartic acid; S: serine and P: proline), in order to promote human dermal fibroblast cell adhesion and viability. The degree of bio conjugation, colloidal stability and chemical composition of the functionalized fibrils were characterized by ninhydrin test, dynamic light scattering (DLS), FT-IR and XPS methods. The printability of bioinks consisting of the nanofibrils, alginate, hyaluronic acid and fibroblasts was evaluated using a 3D bioprinter under various printing conditions. In vitro cell studies performed with 3D bioprinted models showed that the adhesion, viability and proliferation of fibroblasts were promoted significantly in the constructs printed with peptide modified bio-inks.

Figure 1. 3D Bioprinted construct of human dermal fibroblast cells prepared using peptide modified

nanocellulose bioink. The fibroblasts attach to the cellulose nanofibrils entirely after 28 days.

Poster 8

Graphene integrated patches for tumor neutralization

V.R.S.S. Mokkapati, Sanja Tunjic, Santosh Pandit, Ivan Mijakovic

Systems and Synthetic Biology, Department of Biology and Biological Engineering, Chalmers University of Technology


The aim of this study is to develop graphene integrated patches for tumor neutralization. Prior to that, we need to evaluate whether graphene can kill tumor cells through a barrier membrane without directly interacting with them. This eliminates the long-term toxicity of graphene/nano-particles for healthy human cells as graphene does not directly interact with the cells. It is the barrier membrane which plays an important role in the whole process.

Advantages

1. Tumor neutralization through a barrier membrane without direct interaction.

2. Overcomes the long-term toxicity issue to human cells as there is no direct interaction with healthy cells.

3. The barrier membrane thickness can be tailored with a varied choice of biological or non-biological materials that can stimulate.

4. Completely non-invasive method.

Figure. Graphical representation of the mechanism involved in tumor neutralization through graphene and biological barrier membranes respectively

References. 1. A. Sood et al., Nature nanotechnology, volume 6, 2011. 2. Z. Liu, J. T. Robinson, X. Sun and H. Dai, J. Am. Chem. Soc., 130 10876–10877 (2008).

Poster 9

Diastereomeric bactericidal effect of Ru(phenanthroline)2dipyridophenazine

Anna K. F. Mårtenssona, Mattias Bergentallb, Valentina Tremarolib and Per Lincolna

aDepartment of Chemistry and Chemical Engineering, Chalmers University of Technology, SE-41296 Gothenburg, Sweden.

bThe Wallenberg Laboratory and Sahlgrenska Center for Cardiovascular and

Metabolic Research, Department of Molecular and Clinical Medicine, Institute of Medicine, University of Gothenburg, SE-413 45 Gothenburg, Sweden.


DNA binding ruthenium(II) polypyridyl complexes have several properties that would make them suitable for antimicrobial treatments (e.g. water soluble, coordinately saturated and inert to substitution). In addition, their properties are readily modulated by the peripheral ligands making it possible to influence DNA binding and enantioselectivity.

Metal susceptibility assays and spot plating have been used to investigate the antimicrobial activity of enantiopure Ru(phen)2dppz2+ (Ru-phen) (phen = 1,10-phenanthroline and dppz = dipyrido[3,2-a:2´,3´-c]phenazine), on the Gram-negative Escherichia coli and the Gram-positive Bacillus subtilis as bacterial models. This is the first reported work of the potential usage of enantiopure Ru-phen as antimicrobial compounds. Minimum inhibitory concentrations (MIC) and minimum bactericidal concentrations (MBC) were determined for the complex: the antimicrobial activity of Ru-phen against B. subtilis was comparable to that of tetracyline. In addition, the Δ-enantiomer of Ru-phen showed a 2-fold higher bacteriostatic and bactericidal effect compared to the Λ-enantiomer. This was in accordance with the enantiomers relative binding affinity for DNA1,2 which, together with the visualization of the bacterial cells using confocal microscopy, strongly suggesting DNA binding as the antimicrobial mode of action.

References 1. Haq I, Lincoln P, Suh D, Nordén B, Chowdhry BZ, Chaires JB. Interaction of ∆- and Λ-

[Ru(phen)2DPPZ]2+ with DNA: A calorimetric and equilibrium binding study. Journal of the American Chemical Society, 1995. 117(17): p. 4788-4796.

2. Andersson J, Fornander LH, Abrahamsson M, Tuite E, Nordell P, Lincoln P. Lifetime heterogeneity of DNA-bound dppz complexes originates from distinct intercalation geometries determined by complex-complex interactions. Inorganic Chemistry, 2013. 52(2): p. 1151-115.

Poster 10

Photocontrol RGB emitters

Gaowa Naren

Department of Chemical and Biological Engineering, Chalmers University of Technology


In the project, 9, 10-diphenylanthracene, DPA photochromism is used as the fluorescence resonance energy transfer (FRET) donor and two photochromic DAE diarylethene derivatives are acceptors. The donor and two acceptors are encapsulated in polymer micelles. As shown in the CIE diagram in Figure 1, the fluorescence of DAE2, DAE1, DPA is red, green, blue respectively. So DAE2, DAE1, DPA are set as Red, Green, Blue (RGB) meittors. By different degree of FRET quenching, the overall emission colour will be a mix between RGB meittors. Therefore, by combining three fluorophores in different proportions, it is possible to achieve all emission colour in the triangle region shown in Figure 1.

References: 1. M. Bälter, S. Li, M. Morimoto, S. Tang, J. Hernando, G. Guirado, M. Irie, F. M. Raymoc and J.

Andréasson, Chem. Sci., 2016,7, 5867-5871 2. L. C. Picciolo, H. Murata, A. Gondarenko, T. Noda, Y. Shirota, D. L. Eaton, J. E. Anthony, Z. H.

Kafafi, “RGB emission using a dimesitylboryl-bithiophene derivative as a universal host and pentacene derivatives as the red emitters” in Proc. SPIE 4464, Organic Light-Emitting Materials and Devices V, February 2002

Figure 1

Poster 11

Exosomes from human pancreatic islets repress human islet amyloid popypeptide (IAPP) aggregation

Diana Ribeiroa,b, Istvan Horvathb and Pernilla Wittung-Stafshedeb

aDiscovery Sciences, AstraZeneca R&D, Gothenburg, Sweden bBiology and Biological Engineering, Chalmers University of Technology,

Gothenburg, Sweden Email: [email protected]

Human islet amyloid polypeptide (hIAPP) is the major component of the amyloid deposits found in the pancreatic islets of patients with type 2 diabetes (T2D) [1]. IAPP is co-secreted with insulin from pancreatic islet β-cells, and both proteins are known to be involved in each other’s regulation through mechanisms that are not yet clear. Lipid membranes can also affect hIAPP amyloid fiber formation and we recently showed that lipid head-group chemistry modulated interactions with another amyloid protein, α-synuclein, which aggregates into Lewy bodies in Parkinson’s disease [2].

Here we have tested the hypothesis that extracellular lipid-based particles released by pancreatic β-cells, exosomes (EXO), affect amyloid formation of hIAPP. We found that EXO from β-cells repressed dramatically hIAPP amyloid formation in a concentration-dependent way. In contrast, serum EXO and T2D-derived EXO had no effect on IAPP aggregation. We currently investigate EXO cargo content and lipid composition to identify what factors in the β-cell EXO cause IAPP amyloid inhibition. Although our previous work revealed that IAPP co-aggregate with α-synuclein [3], our preliminary data show that EXO from β-cells do not affect α-synuclein amyloid formation.

Overall, this project aims to gain better understanding of extracellular communication and IAPP aggregation in T2D development and the results may ultimately provide new concepts for T2D regulation.

References

[1] L. Caillon, A.R. Hoffmann, A. Botz, L. Khemtemourian, Molecular Structure, Membrane Interactions, and Toxicity of the Islet Amyloid Polypeptide in Type 2 Diabetes Mellitus, J Diabetes Res 2016 (2016) 5639875.

[2] J. Kiskis, I. Horvath, P. Wittung-Stafshede, S. Rocha, Unraveling amyloid formation paths of Parkinson's disease protein α-synuclein triggered by anionic vesicles, Quarterly Reviews of Biophysics 50 (2017).

[3] I. Horvath, P. Wittung-Stafshede, Cross-talk between amyloidogenic proteins in type-2 diabetes and Parkinson’s disease, Proceedings of the National Academy of Sciences (2016) 201610371.

Poster 12

Two-color photoisomerization of a Ru-sulfoxide complex in solution and immobilized on nanocrystalline TiO2.

Elin Sundina, Fredrik Johanssona, Valeria Saavedra Becerrila, Joachim Wallensteina,

August Gasslandera, Jerker Mårtenssona and Maria Abrahamssona

aDepartment of Chemistry and Chemical Engineering, Chalmers University of Technology


It is well known that ruthenium(II) complexes with sulfoxide ligands can undergo photo-induced S/O-linkage isomerisation. These properties make them interesting for molecular storage or as logic gates. For these applications it is desirable to anchor the molecules on substrates as it can give spatial addressability.[1] Here we have studied a Ru-sulfoxide complex, Ru(deeb)2(PySO-iPr)(PF6)2, with anchoring groups that allows immobilization to metal oxide surfaces.

When the thermodynamically stable S-bonded form is irradiated with UV-light, the complex isomerizes to form the metastable O-bonded form, both in solution and on TiO2. This can be seen by monitoring the absorption spectrum which becomes red shifted (see figure). In solution, clear isosbestic points appear at 345, 396 and 440 nm indicating a clean transformation between two species. On TiO2 the absorption of the Ru-complex is somewhat shielded by the film which also absorbs light at 400 nm and below. However clear isosbestic points are seen at 405 and 437 nm. By irradiating the complex, in solution and on TiO2, with 623 nm O-to-S isomerization is observed. In solution the reverse reaction can be brought to completion while on TiO2 some O-bonded form remains after steady state is reached.

Figure. Left: Ru(deeb)2(PySO-iPr)(PF6)2 in CH2Cl2 irradiated with 385 nm light (1.0 mw at the sample).

Right: Ru(deeb)2(PySO-iPr)(PF6)2 on TiO2 in CH2Cl2

References.

1. McClure, B.A., E.R. Abrams, and J.J. Rack, Excited state distortion in photochromic ruthenium sulfoxide complexes. Journal of the American Chemical Society, 2010. 132(15): p. 5428-5436.

Poster 13

Nanofluidics for Single-Molecule Fluorescence Studies of DNA-Protein Interactions

Robin Öz, Kai Jiang, Sriram KK, Karolin Frykholm and Fredrik Westerlund

Chalmers University of Technology, Department of Biology and Biological Engineering, Division of Chemical Biology

Email: [email protected] [email protected]

Understanding the dynamics of biomolecular interactions, such as between DNA and proteins, can provide valuable information on different cellular functions. Single-molecule DNA-protein studies in nanofluidic channels enable detailed characterisation of the interplay between different proteins and DNA under physiologically relevant conditions. Our group has extensive experience in studying DNA-protein interactions on a single DNA molecule level1,2.

One system that is currently being studied is the XLF and XRCC4 proteins, involved in Non-Homologous End-Joining (NHEJ). Since the NHEJ process is mainly operating on DNA ends, we are developing a nanofluidic setup, which will enable analysis of protein interactions with single DNA molecules without the need of tethering foreign entities to the DNA ends. Preliminary results show that XLF (fig. 1a) binds in an uneven manner along the whole the DNA molecule, whereas XRCC4 (fig. 1b) forms distinct protein clusters along the extension. This is in agreement with a previous study where optical tweezers were employed to stretch the DNA molecule3.

Another protein that is currently being studied is the HIV-1 nucleocapsid (NC) protein. NC proteins play important roles in the retroviral life. Its chaperone activities, including DNA aggregation and DNA-protein interaction kinetics, are studied using the nanofluidic setup. Preliminary results show different binding affinities for two different mutants of NC, the N-terminal truncation mutant and its zinc-free mutant, indicating different functions of these domains.

Figure 2. Time-trace images of fluorescently labelled (a) XLF and (b) XRCC4 bound to lambda-phage DNA. The protein-bound DNA is stretched in a nanofluidic channel with a depth of 150 nm and a width of 200 nm.

References. 1. Fornander, L. H. et al. Visualizing the Nonhomogeneous Structure of RAD51 Filaments Using

Nanofluidic Channels. (2016). doi:10.1021/acs.langmuir.6b01877 2. Frykholm, K. et al. DNA compaction by the bacteriophage protein Cox studied on the single

DNA molecule level using nanofluidic channels. 44, 7219–7227 (2016). 3. Brouwer, I. et al. Sliding sleeves of XRCC4–XLF bridge DNA and connect fragments of broken

DNA. Nature (2016). doi:10.1038/nature18643

MATERIALS

Poster 14

Synthesis of D-A polymers and graphene-like materials for solar cell application

Birhan Alkadir Abdulahiab, Wendimagegn Mammoa, Ergang Wangb

aDepartment of Chemistry, Addis Ababa University, PO Box 33658, Addis Ababa,

Ethiopia bDepartment of Chemistry and Chemical Engineering/Polymer Technology,

Chalmers University of Technology, SE-412 96 Göteborg, Sweden;


Organic photovoltaics attracted considerable attention due to the solubility, light weight, flexibility and low-cost of polymeric materials. Solution-processed bulk heterojunction solar cells achieved power conversion efficiencies (PCEs) of more than 10%.[1,2] Polymers based on fluorinated benzotriazole and benzodithiophene are among the most promising candidates for solar cell applications.[3,4] To further improve PCEs of organic photovoltaics, efforts are made to replace fullerenes as acceptor materials with other small molecules which have broad absorption and suitable HOMO and LUMO energy levels.[5]

Herein, different benzotriazole-based polymers were synthesized by varying the side chains to study their effects on the morphologies of the donor/acceptor blends. The polymers are soluble in chloroform and chlorobenzene and showed well-defined absorption peaks in the longer wavelength range. The HOMO and LUMO energy levels of the polymers are appropriate to fabricate bulk heterojunction solar cell with fullerene derivatives as acceptors. An N-alkyl-di(perylene bisimide)-based small molecule was synthesized using the Stille-coupling reaction for use as an acceptor in solar cells. The broad absorption and its HOMO/LUMO energy levels indicate that this compound is a promising candidate to be used in organic solar cells.

References: 1. Z. He, B. Xiao, F. Liu, H. Wu1, Y. Yang, S. Xiao, C. Wang , T. P. Russell, Y. Cao, Nat. Photon.,

2015, 9, 174 2. W. Zhao, D. Qian, S. Zhang, S. Li, O. Inganäs, F. Gao, J. Hou, Adv. Mater. 2016, 28, 4734 3. Z. Genene, J. Wang, X. Meng, W. Ma, X. Xu, R. Yang, W. Mammo, E. Wang, Adv. Electron.

Mater. 2016, 2, 201600084 4. H. Bin, Z.-G Zhang, L. Gao, S. Chen, L. Zhong, L. Xue, C. Yang, Y. Li, J. Am. Chem. Soc. 2016,

138, 4657 5. D. Meng, D. Sun, C. Zhong, T. Liu, B. Fan, L. Huo, Y. Li, W. Jiang, H. Choi, T. Kim, J. Y.Kim, Y.

Sun, Z. Wang, A. J. Heeger, J. Am. Chem. Soc. 2016, 138, 375

Poster 15

Wicking dynamics in capillaries inspired by fibre structures

Johanna Andersson, Anna Ström, Anette Larsson

Pharmaceutical Technology, Department of Chemistry and Chemical Engineering, Chalmers University of Technology, Göteborg, Sweden


Capillary flow is a phenomenon occurring in our everyday life, such as in kitchen paper sucking up liquid or in a diaper. It is driven by capillary pressure, which is created by the curved meniscus a liquid forms in a capillary. To predict the transport in a porous material, Lucas-Washburn is often used, where the capillaries are thought as straight circular channels of uniform diameter. In this study we developed a model system, where we fabricated hydrophilic capillaries in semi-solids with shapes similar to fibre structures, see an example in Fig. 1a. Horizontal channels with a rectangular cross-section and a width and height of 600 µm were spontaneously filled with water through their reservoirs. The travelled distance was recorded over time and is illustrated in Fig. 1b.

Figure 1. a) Examples of channel design with side channels of 60 or 120° depending on the flow direction and water reservoirs, where liquid is deposited; b) Water motion over time by the example of a straight channel and side channels on one, resp. 2 sides with an angle of 150°.

The results show that the liquid travels fastest in straight channels without any side channels. In channels having side channels only on one side slight stops can be observed, as seen in the dotted line in Fig. 1b. Very distinct stops can be seen in channels with side channels on two sides as the dashed line in the figure indicates. First results also indicate that the angles of the side channels influence on how sudden the liquid stops as we have observed smoother curves for 170°. This study demonstrates that the dynamics are significantly changed in connected channels, for instance in a fibre system which cannot be described by Lucas Washburn.

a)

Poster 16

Antibacterial Elastin-like polypeptide coatings

Saba Atefyektaa, Maria Pihla , Chris Lindsayb, Sarah Heilshornb and Martin

Anderssona

aChemistry and Chemical Engineering, Chalmers University of Technology, Gotheburg, Sweden

bMaterials science and Engineering, Stanford University, CA, USA Email: [email protected]

The development of antibacterial surfaces using antimicrobial peptides (AMPs) seems to be a very attractive approach for biomedical applications. Compared to conventional antibiotics, AMPs are shown to have broader spectrum of activity and rarely promote bacterial resistance. Moreover, such peptides show lower toxicity to mammalian cells. Covalently bonded to a biomaterial surface, AMPs can retain their bactericidal activities and act at very low concentrations.

In this work an antimicrobial peptide (RRPRPRPRPWWWW-NH2) was covalently bonded to substrates coated with recombinant elastin like protein (ELP) and the response of bacteria and human-derived cells to these surfaces were studied by microscopy methods. ELP containing RGD sequences and specific photo reactive sites in their structures was used to coat substrates for subsequent attachment of antimicrobial peptides. Such coatings can provide favorable cell-adhesive and antibacterial surfaces for future in vivo interactions.

SEM images of Staphylococcus Epidermidis taken after 24h a, biofilm formed before AMP functionalization on ELP surfaces and b, bacteria cultures on AMP functionalized ELP surfaces. The magnification increases from left to right.

References. 1. Humblot, V. et al. The antibacterial activity of Magainin I immobilized onto mixed thiols Self-

Assembled Monolayers. Biomaterials 30, 3503–12 (2009). 2. Raphel, J et al. Photoreactive elastin like proteins for use as versatile bioactive materials and

surface coatings. J Mater Chem 18, 1199–1216 (2013).

Poster 17

Lignin-based carbon fibre precursors readily prepared by dry-jet wet-spinning

Jenny Bengtssona,b, Tobias Köhnkea, Carina Olssona and Hans Thelianderb

a Bio-based fibres, Swerea IVF, PO Box 104, 431 22 Mölndal bDepartment of Chemistry and Chemical Engineering,

Chalmers University of Technology Email: [email protected]

To be able to meet regulations regarding fuel economy for cars the automotive industry is searching for new lightweight materials. One opportunity is high strength, carbon fibre reinforced composites. Today most carbon fibres that fulfil the mechanical requirements are produced from precursors made of polyacrylonitrile (PAN), where precursors are wet-spun and thereafter stabilized and carbonized into carbon fibres. However, PAN-based carbon fibres are very expensive. Somewhat fortunate is in one way the fact that approximately half of the cost to produce carbon fibres originate from the PAN precursors (Ogale, Zhang, & Jin, 2016), creating an opportunity to lower the cost of carbon fibres by finding a new raw material.

Meanwhile the pulping industry is trying to find new applications for lignin. By using the LignoBoost process it is possible to extract lignin from the pulping process without disrupting the essential energy recovery of a kraft mill (Wallmo, 2008). However, producing lignin-based carbon fibres has, not proven to be a simple task. The challenge with melt spinning of lignin is that it requires high purity lignin with a low glass transition temperature, Tg, but simultaneously a high Tg is desired for rapid stabilization. No technical lignin has yet been accomplished, that satisfies these contradicting demands(Baker & Rials, 2013).

The aim of this project is therefore to evaluate a new method for producing lignin-based precursor fibres; dry-jet wet-spinning, a type of solution spinning. A great method when it comes to producing high strength cellulose fibres (Gries, Veit & Wulfhorst, 2015). To prepare the spinning solution lignin was dissolved together with cellulose in an ionic liquid. In contrast to melt spinning, it was possible to use untreated Kraft softwood lignin. Early results have showed that fine and flexible fibres with promising mechanical properties can easily be spun by following this method, even with high fractions of lignin, up to 80%, in the spinning solution.

References Baker, D. A., & Rials, T. G. (2013). Recent advances in low-cost carbon fiber manufacture from lignin. Journal of Applied Polymer Science, 130(2), 713–728. Gries, T., Veit, D. & Wulfhorst, B. (2015, 2nd edition) Textile technology, an introduction. Hanser Publishers, Munich. Ogale, A. A., Zhang, M., & Jin, J. (2016). Recent advances in carbon fibers derived from biobased precursors. Journal of Applied Polymer Science, 133(45). Wallmo, H. (2008). Lignin extraction from black liquor : precipitation, filtration and washing. Chalmers University of Technology.

Poster 18

Conjugated polymers with thermocleavable sidechains

Kim Binia, Mats R. Anderssonb and Ergang Wanga

a Department of Chemistry and Chemical Engineering, Chalmers University of Technology, SE-412 96, Gothenburg, Sweden

bFlinders Centre for Nanoscale Science and Technology, Flinders University

Sturt Road, Bedford Park, Adelaide, SA, 5042, Australia Email: [email protected]

There is a big need for renewable energy sources in order to solve the energy crisis. In recent years polymer solar cells have stirred interest due to the possibility of cheap and environmentally friendly energy. Their performances have increased several-fold over a decade and might soon be viable for large scale production.1 A big problem is the ubiquitous use of chlorinated solvents during manufacture. These are highly toxic both for humans and the environment and thus need to be substituted before large scale production.2 The effect of solvent on the sensitive morphology of the active layer of polymer solar cells makes this a problem, since the highest efficiencies reached have used optimized systems which include chlorinated solvents. Another problem is that printing of solar cells utilizes orthogonal solubility when layers are deposited, which means that alcohol -soluble active layer materials would damage the device structure.3

We are working on methods to solve these problems using side-chain engineering; introducing either thermally cleavable groups which will enable switchable solubility. These groups will be introduced in conventional Donor-Acceptor-polymer structures. The goal is to have a polymer processable in alcohol, and after the cleavable group is removed. This will leave the polymer insoluble and thus less sensitive to subsequent processing steps and also have a higher operational stability.

Figure. Illustration of D-A-motif polymers with cleavable sidechains.

References. 1. M. Helgesen, R. Søndergaard, F.C. Krebs, J. Mater. Chem. 2010, 20, 36-60. 2. C.C. Chueh, K. Yao, H.L. Yip, C.Y. Chang, Y.X. Xu, K.S. Chen, C.Z. Li, P. Liu, F. Huang, Y.W. Chen, W.C. Chenb, A.K.Y. Jen, Energy Environ. Sci., 2013, 6, 11, 3241. 3. A. Hadipour, B. de Boer, J. Wilderman, F.B. Kooistra, J.C. Hummelen, M.G.R. Turbiez, M.M. Wienk, R.A.J. Janssen, P.W.M. Blom, Adv. Funct. Mater. 2006, 16, 1897.

Poster 19

Separation of cotton and polyester using alkaline hydrolysis to enable recycling of blended textile materials

Stina Björquista,b, Anna Palmeb

aThe Swedish School of Textiles, University of Borås bDepartment of Chemistry and Chemical Engineering, Chalmers University of Technology


In 2015, 96.7 million tons of textile fibres were produced world-wide1. Our high consumption of textiles leads to an increased amount of waste textiles in the society. In Sweden, the majority of used clothing and textiles are incinerated due to the lack of recycling techniques. In recent years, research on recycling processes to convert used textiles to raw material for manufacturing of new textile fibres have started to be developed. Several initiatives have emerged to chemically recycle textiles, however only from materials containing a single fibre type. A large amount of consumer textiles are however made from blended materials, consisting of two or more fibre types. One of the most common blends, often used in workwear and service textiles, is cotton and polyester blending. To ensure full fibre-to-fibre recycling, cotton and polyester must be separated before recycling. In order to use the cellulose in cotton for the manufacturing of man-made cellulosic fibres such as viscose, the cellulose need to be maintained as unaffected as possible. To achieve this, the authors separate the fibres by a depolymerisation of the polyester into the monomers terephthalic acid, as seen precipitated in the figure, and ethylene glycol using alkaline hydrolysis.

The study includes an optimization of process parameters such as process time and temperature, concentration of sodium hydroxide in the hydrolysis solution, mechanical pre-treatment of the textiles and liquor-to-material ratio. The aim of the research is to produce a cotton residue suitable as a raw material for viscose fibre spinning. The method and the generated cellulose material is analysed by measuring the intrinsic viscosity. Other analyses used to verify the process includes UV-Vis and ATR-FTIR spectroscopy, SEM and weight yield of TPA.

References. 1. TMS (2016). The Fiber Year 2016 - World Survey of Textiles & Nonwovens.

http://www.textilemedia.com/textile-reports/technical-textiles/new-textile-materials/the-fiber-year/.

Figure. Precipitation of terephthalic acid

Poster 20

Two approaches to achieve thermoplastic arabinoxylan

Mikaela Börjessona, Gunnar Westmana, Anette Larssona and Anna Ströma

a Chemistry and Chemical Engineering, Chalmers University of Technology, Gothenburg, Sweden,


The interest of replacing polymers derived from fossil fuel with those obtained from plant cell walls have increased during the last years. However, production capacities of such polymers are limited. Especially, melt processing is challenging, making it difficult to use existing industrial processing for the production of e.g. barriers for packages etc.[1]. A reduction in glass transition temperature (Tg) or melt rheology can be a solution for improved processability of renewable polymers e.g. hemicelluloses.

Hemicellulose is the second most abundant polymer in nature. In this study, the hemicelluloses found in agricultural crops, arabinoxylan (AX), has been isolated from an alkaline extraction process [2]. Arabinoxylan itself has a high Tg, close to its decomposition temperature, why its suitability for use in commonly available process techniques such as extrusion is low. We have in our study looked into different ways of affecting Tg for AX isolated from wheat bran. Two routes were tried to achieve a decrease in Tg, 1) the use of an internal plasticizer (Figure 1) and 2) increased backbone flexibility. Initial results from both routes are presented on the poster.

Figure 1. Storage modulus measured by a dynamic

mechanical analyser (DMA) giving information of Tg of

AX (Tg=177°C) and modified AX (Tg=130°C).

References. [1] Gårdebjer, S. et al., (2015), JAPS, 132, 41219–41227. [2] Börjesson, M. (2016), PhD Thesis, Chalmers University of Technology.

Poster 21

Control of Nanocellulose Orientation by 3D printing

Caroline Damgaarda, Kajsa Markstedta, Karl Håkanssona, Paul Gatenholma

aWallenberg Wood Science Center and Biopolymer Technology, Department of Chemistry and Chemical Engineering,

Chalmers University of Technology, SE-412 96 Gothenburg, Sweden Email: [email protected]

Forest is an unprecedented resource for sustainable future materials and is needed for growth of a circular bioeconomy. One material from the forest already in production is cellulose nanofibrils (CNF). CNF has successfully been used as a reinforcing agent in packaging applications as well as a stabilizer and binder in food and pharmaceutical products. CNF is also biocompatible which make them suitable for biomedical applications.

CNF is delivered as a hydrogel with shear thinning properties, recently shown to suit well as a ‘filament’ in 3D printers. Apart from printing complex structures, 3D printers may help achieve higher control of material properties. These include increased mechanical properties due to orientation of the CNF.

This project aims to control the orientation of the CNF with the fluid flow during 3D printing. Although the mobility of CNF hydrogel is determined by inherent properties such as; CNF size and charge, concentration and viscoelasticity, the alignment can be induced by 3D printing parameters such as; pressure, printing speed and nozzle geometry. In these studies, CNF hydrogels and printing parameters are optimized to fabricate 3D constructs with controlled architecture and tuneable functionality.

Figure 1. a) 3D printing of a tree. b) Printed lines with different printing speed. c) 3D printed tree with 2.21% CNF dyed with green colouring. d) 3D printed rectangular structure with 2.21% CNF.

a) b)

c)

d)

Poster 22

18O2 tracer experiments to investigate the effect of cerium coatings on ferritic steel for SOFC applications

Hannes Falk Windischa, Per Malmberg 2b, Mohammad Sattari 3c Jan-Erik Svenssona and Jan Froitzheima

aChalmers University of Technology, Chemistry and Chemical Engineering, Energy and Materials

bChalmers University of Technology, Chemistry and Chemical Engineering, Analytical Chemistry

cChalmers University of Technology, Physics, Materials Microstructure


Two-stage 18O/16O exposures can be used to investigate the effect that alloying elements, secondary phases, or surface treatments have on the high temperature oxidation behaviour of certain materials. After exposures to 16O/18O, 16O- and 18O-rich oxide, layers are formed. Analysis of the oxide scale layers using Secondary Ion Mass Spectroscopy (SIMS) depth profiling allows for conclusions to be drawn about the oxide scale growth mechanism. The findings from such profiles are, however, not entirely unambiguous due to the limited lateral resolution of the technology. Rough surface topography and the thickness variation of the oxide scale over the analysed volume add to the ambiguity of the findings. In this study, a Fe-20%Cr alloy was exposed at 850 °C in a two-stage exposure (initially in an 18O-rich environment followed by prolonged exposure in a 16O-rich environment). Two methods were used to analyse the thermally grown Cr2O3 scale: (1) traditional SIMS depth profiling and (2) preparation of a cross-sectional lamellae for Transmission Electron Microscopy (TEM), which, subsequently, was analysed in a nanoSIMS. The nanoSIMS 16O and 18O elemental maps were then superimposed on the TEM image to create a one-to-one correlation. In comparison with traditional SIMS depth profiling, the nanoSIMS elemental maps reveal very detailed information about local oxide growth in different parts of an oxide scale. Moreover, a clear 16O/18O interface can be seen in the nanoSIMS maps, which is not the case in the sputter depth profiles. The findings of this study show that the aforementioned issues associated with sputter depth profiling can be eliminated by mapping a cross section of an oxide scale using high resolution nanoSIMS.

Poster 23

Manufacturing for Individualised Therapy

Rydvikha Govendera,b, Anette Larssonb, Susanna Abrahmsén Alamia and Staffan Folestada

aPharmaceutical Technology and Development, AstraZeneca, Mölndal bChemistry and Chemical Engineering, Chalmers University of Technology,

Gothenburg, Sweden Email: [email protected]

Backgrounds: Breakthroughs in molecular biology, diagnostics, genotyping and nanotechnology have directed research towards precision medicine by highlighting inter-individual variability and providing the technological capabilities to address the needs it creates. However, doing so in a way that facilitates accessibility to patients in an economically viable manner remains a challenge. Mass customised precision pharmaceutics produced as subunits and assembled via manufacturing platforms into different configurations with tunable characteristics could address these challenges and enable individualised therapies. Aims: Firstly, we aim to understand pharmacotherapeutic needs of patients created by biological, behavioural and environmental diversity. Secondly, we aim to explore the fundamentals of formulations suitable for mass customised manufacturing and develop and adapt accompanying manufacturing platforms to satisfy standard regulatory requirements and demonstrate value to patients. Methods: Promising pharmaceutical manufacturing platforms are compared with regard to key prerequisites for predictable performance, manufacturability, scalability of function and ability to satisfy patient needs. Results: In initial experimental studies using melt technologies, subunits of varying size were evaluated. Design criteria relevant for mass customisation including the relationship between the unit dimensions of the formulation and key characteristics such as uniformity, drug stability and suitability for tailored drug release will be presented. Summary/Conclusion: Subsequent analysis will provide guidance to critical manufacturing and design features for precision pharmaceutics and stimulate suggestions for continued focus in this field.

Poster 24

Dissolution of cellulose in NaOH(aq) and the chemisorption of CO2

Maria Gunnarssona, Merima Hasani a and Hans Theliandera

aForest products and Chemical Engineering, Chemistry and Chemical Engineering, Chalmers University of Technology, Göteborg – Sweden


Undoubtedly one of the most attractive solvent systems for dissolution of cellulose and further production of regenerated fibres is NaOH(aq). This system has been studied since the early 1930s (Budtova and Navard 2015) but the exact cellulose dissolution mechanism in NaOH(aq) is not fully understood to this day. This study highlights a property of this system that previously has been overlooked: its inherent ability to capture CO2 from air due to low temperatures and high alkalinity (Lucile et al. 2012), with the aim to investigate the feasibility of CO2 playing a possible role in the dissolution mechanism of cellulose in cold NaOH(aq).

Microcrystalline cellulose dissolved in 8 wt% NaOH at -5°C and regenerated with ethanol revealed, using ATR-IR spectroscopy, a new signal at 1592 cm-1, corresponding to a carbonate ion. 13C NMR spectroscopy further confirmed this showing a new signal at 154 ppm. Samples regenerated with water instead of ethanol showed neither the signal at 1592 cm-1 in ATR-IR nor the signal at 154 ppm in 13C NMR.

These results suggest that CO2 from air dissolves in NaOH(aq) and chemisorbes on cellulose during the dissolution in NaOH(aq). The chemisorbed CO2 can be preserved in the cellulose structure when using ethanol as regenerating agent but will desorbed if instead water is used. The exact role of CO2 in the solvent system NaOH(aq) has to be further investigated and could be an important parameter to take into consideration when developing processes for dissolution of cellulose based on this system.

References. Budtova T, Navard P (2015) Cellulose in NaOH–water based solvents: a review. Cellulose 23:5–55.

doi: 10.1007/s10570-015-0779-8 Lucile F, Cézac P, Contamine F, et al (2012) Solubility of Carbon Dioxide in Water and Aqueous

Solution Containing Sodium Hydroxide at Temperatures from (293.15 to 393.15) K and Pressure up to 5 MPa: Experimental Measurements. J Chem Eng Data 57:784–789. doi: 10.1021/je200991x

Poster 25

Molecular orientation effect on coupling strength of hybrid light-matter states

Manuel Hertzoga, Karl Börjessona

a Department of Chemistry and Molecular Biology, University of Gothenburg, Kemigården 4, 412 96 Gothenburg


A field that has developed completely independently from liquid crystals up to now is that of light-matter strong coupling. When matter inserted inside a Fabry-Pérot (FP) cavity exchanges energy with a resonant mode of the cavity more rapidly than the combined rate at which energy escapes the system (either in the form of photons leaving the cavity or the matter wave function losing its phase information), the strong coupling limit is reached. This is normally achieved by placing the material in a FP cavity composed of two parallel mirrors that is resonant with an electronic (or vibrational) transition in the material. The result is the formation of new states in the system with properties somewhere between light and matter.

The coupling between light and matter depends, among others, on the scalar product between the electric field and the transition dipole moment of a molecule. A simple way to have aligned molecules is to use liquid crystals. They are composed of rod-like molecules which self-align each other to have a directionnal order. Moreover, we can tune the alignment by applying an externel electrical field to the system. The aim of this project is to influence the coupling strength of light-matter interaction by changing the orientation of the transition dipole moment of a molecule in a controlled fashion.

Figure 1. Fabry-Pérot cavity with liquid crystal in an electromagnetic field confined between two gold

mirrors.

References. [1] Haroche, S.; Kleppner, D. Cavity Quantum Electrodynamics. Phys. Today 1989, 42, 24-30 [2] T. W. Ebbesen, Hybrid Light-Matter states in a Molecular and ‘Material Science Perspective, Acc. Cham. Res., 2016, 49(11), pp2403-2412

Poster 26

Vapor Doping: A Powerful Tool to Disentangle the Impact of Processing and Nanostructure on the Electrical Conductivity of

P3HT:F4TCNQ

Jonna Hynynena, David Kiefera, Liyang Yua, Renee Kroona, Rahim Munirb, Aram Amassianb, Martijn Kemerinkc, and Christian Müllera

aChalmers University of Technology, Gothenburg, Sweden bKing Abdullah University of Science and Technology, Thuwal, Saudi Arabia

cLinköping University, Linköping, Sweden Email: [email protected]

Waste heat recovery through thermoelectrics is an attractive alternative to power autonomous microelectronics such as sensors, radio-frequency identification tags etc. Wearable devices based on polymer semiconductors are an intriguing concept to extend the range of thermoelectrics. Optimisation of the thermoelectric properties requires the introduction of a molecular dopant that ionizes the polymer. The solid state structure of the polymer critically influences the charge carrier mobility and therefore the electrical conductivity. However, underlying structure-property relations have been elusive because processing and doping are often carried out simultaneously.

We chose to explore a model system based on the widely studied conjugated polymer poly(3-hexylthiophene) (P3HT) that we dope with the tetracyanoquinodimethane derivative F4TCNQ. Doping from the vapor phase allowed us to disentangle the influence of solid-state structure formation and doping. We find that the degree of solid-state order, which varies with the processing solvent, molecular weight and regio-regularity, strongly influenced the electrical conductivity, leading to an increase in electrical conductivity by about two orders of magnitude. Despite a large variation in molecular weight from 5 to 60 kgmol-1, i.e. from below to above the entanglement molecular weight, no significant change in electrical conductivity is observed. The observed invariance with regard to chain entanglement and tie chain formation promises that other properties such as the mechanical flexibility and robustness can be optimized separately from the electronic behavior of heavily doped polymer:dopant systems.

Poster 27

Microcellular foaming of arabinoxylan with scCO2

Linda Härdelina,b, Anna Ströma,b and Anette Larssona,b

aPharmaceutical Technology at Applied Chemistry, Department of Chemistry and Chemical Engineering, Chalmers University of Technology, SE-412 96 Göteborg,

Sweden bSmartFoam, Formas Project at Chalmers University of Technology, SE-412 96

Göteborg, Sweden Email: [email protected]

Commercial foamed materials used in packaging, wound care and hygiene products are today produced mostly from fossil fuel based raw materials. From a sustainability perspective, foams for various applications should be based on renewable materials.

The hemicellulose arabinoxylan can be extracted from barley husk, today an agricultural by-product. Characterization of the extracted hemicellulose gave a composition consisting mainly of 62% xylose, 26% arabinose, and 11% glucose, giving an Ara/Xyl ratio of 0.42. The arabinoxylan also contained 9 wt.% lignin.

Arabinoxylan foam was produced using a microcellular batch foaming process. The gas, here scCO2, dissolves by diffusion into the polymer and when the pressure is released forms foam cells inside the material. The morphology of the foams produced are determined by several factors, such as amount of gas dissolved in the polymer and heat. Foaming was performed at set temperatures (120°C, 130°C, 140°C, 150°C, 160°C, and 170°C) and solubilisation time was 2 hours with a CO2 pressure at 10 MPa. Arabinoxylan foams could be produced at temperatures above 150°C.

Figure. SEM micrograph of arabinoxylan foam

Poster 28

Colloidal stability of hydrophobic nanoparticles - influence of starch and ionic strength

Frida Iselaua, Krister Holmberg b Romain Bordesb,c

aKemira Kemi AB bDepartment of Chemistry and Chemical Engineering, Chalmers University of

Technology cVinn Excellence Center SuMo Biomaterials, Chalmers University of Technology


Hydrophobic nanoparticles finds many applications. Among others, hydrophobic nanoparticle suspensions in combination with starch are used in paper mills for paper surface hydrophobization. In order to achieve a more efficient process, a deeper understanding about the hydrophobization process, including colloidal stability, is needed. Therefore we have examined how the colloidal stability of cationic hydrophobic nanoparticles is affected by the presence of anionic starch and increased ionic strength. Particle/starch complexes were formed upon mixing and it was found that aggregation was partly reversible where an excess of starch restabilized the system through electrosteric stabilization. A maximum in turbidity and size was found to coincide with charge neutralization monitored by Zeta potential. With an increased ionic strength the cationic nanoparticles formed larger flocs and the effect was more pronounced with Na2SO4 than with NaCl, as expected. When the ionic strength was raised for the formed particle/starch complexes an interesting phenomenon (Figure 1) was observed with an initial drop in turbidity followed by an increase in turbidity with time. This was seen at intermediate ionic strengths, while at higher ionic strength the system collapsed and particle aggregates were formed. This salt effect was also found to be depending on the amount starch adsorbed on the particle surface.

Figure 1. Evolution of turbidity as a function of time when 26 mM NaCl was added to the particle/starch

complexes.

Poster 29

Formation mechanisms of iron-nitrogen functionalized mesoporous carbons as non-precious metal cathode catalysts for fuel cells

Caroline Jansona and Anders Palmqvista

aChalmers University of Technology, Department of Chemistry and Chemical

Engineering SE-412 96 Göteborg, Sweden


New solutions to efficiently convert energy is needed. An energy device with high potential is the proton exchange membrane (PEM) fuel cell. PEM fuel cells can convert chemical energy to electrical energy with extraordinary high conversion efficiency. However, a drawback with PEM fuel cells is their high price, mainly caused by extensive use of the expensive noble metal platinum as the catalyst on the fuel cell cathode. A reduced catalyst price (ideally by replacing platinum) would make PEMFCs cost competitive in comparison to other energy conversion devices. Consequently, the development of inexpensive non-precious metal catalysts active for the oxygen reduction reaction (ORR) have become a hot research topic. In this project, we designed and synthesized iron-nitrogen chelating ordered mesoporous carbon (Fe-OMC) catalysts, active for ORR in PEM fuel cells. One focus in the project is to evaluate the influence of some synthesis variables and gain new insight into the formation mechanism of the materials to thereby achieve more active catalysts. Furthermore, a deeper understanding about the operational mechanism of the active sites in these catalysts is sought. Characterization methods, such as N2-sorption, Raman, XRD, and SAXS, were used to investigate the physical properties of the catalysts. Whereas, electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR) spectroscopies were used to study the active sites and iron-nitrogen interactions in both the precursor mixtures and the final catalysts. Additional information about the Fe-Nx chelate structures acting as catalytically active sites was successively obtained. EPR results strengthened the theory that nitrogen is involved in the formation of active sites in the Fe-OMC catalysts, whereas NMR was used to define iron-nitrogen interactions in the precursor mixtures. Accordingly, initial iron-nitrogen interactions in the precursor mixture were correlated to catalytic activities in the final catalysts. With the results obtained, we made progress in the understanding and tuning of Fe-OMC catalysts. Even though the catalytic performance for these new noble metal-free catalysts is still inferior the platinum-based ones, they seem to have potential to compete with them and hopefully, eventually replace them in applications for PEM fuel cells.

Poster 30

Polar Side Chains Enhance Processability, Electrical Conductivity, and Thermal Stability of a Doped Polythiophene

David Kiefera, Renee Kroona Dominik Stegererab, Liyang Yua, Michael Sommerb and Christian Müllera

aDepartment of Chemistry and Chemical Engineering, Chalmers University of Technology, 41296 Göteborg, Sweden

bMacromolecular Chemistry, Freiburg University, 79104 Freiburg, Germany Email: [email protected]

Molecular doping of organic semiconductors is critical for optimizing a range of optoelectronic devices such as field-effect transistors, solar cells and thermoelectric generators. However, many dopant:polymer pairs suffer from poor solubility in common organic solvents, which leads to a suboptimal solid-state nanostructure and hence low electrical conductivity, as well as poor thermal stability through sublimation of the dopant. The use of oligo ethylene glycol side chains is demonstrated to significantly improve the solubility of the conjugated polymer -a polythiophene- in aprotic solvents, which facilitates co-processing of dopant:polymer pairs from the same solution and leads to an electrical conductivity of up to 100 S/cm using common molecular dopants such as the tetracyanoquinodimethane based F4TCNQ and the benzoquinone based DDQ. Moreover, the increased compatibility of the polar dopant F4TCNQ with the oligo ethylene glycol functionalized polythiophene results in a high degree of thermal stability up to 150 °C.

Figure. Solution processing of P3HT and F4TCNQ results in a visible black precipitate. Instead,

doping of p(g42T-T) with F4TCNQ does not result in such precipitation.

Poster 31

3D Printing of Hierarchical Bone Inspired Nanocomposites

Anand Kumar, Wenxiao He, Ali.T Bagha, Romain Bordes, Carl Sandstöm, Magnus Ekh and Martin Andersson

Department of Chemistry and Chemical Engineering, Chalmers

Department of Applied Mechanics, Chalmers Email: [email protected]

Introduction: Today, the average lifetime of a hip implant is 5 years. The major issues causing failure is tissue rejection, mechanical mismatch between implant and tissue and infection. Here, we develop implants inspired from bone to help regenerate the natural tissue.

Methods: To mimic bone formation, we used molecular self-assembly and 3D printing of amphiphilic triblock copolymers and water to form lyotropic liquid crystals (LLC). LLCs are highly ordered materials that mimic the ordered assembly of collagen fibrils in bone. Next, bone-like mineral was formed in-situ from respective ions within the nanoscopic aqueous domains of the LLCs, yielding a composite material with a well-defined nanostructure inspired from bone1.

Results: Small angle x-ray scattering (SAXS) data of the nanocomposite confirmed the presence of meso-ordered (hexagonal) structure with long-range anisotropy of the nanocomposite similar to bone1. Electron microscopy images of grounded composites showed alignment of the bone mineral due to the orientation from the PLC matrix1. Current work focuses on developing the composite with a 3-D hierarchical structure and a porous network for functioning as a scaffold.

Conclusion: In this work, we have used molecular self-assembly and 3D printing to form mesoscopically ordered polymer-apatite nanocomposite having similar chemistry and ordered nanostructure inspired from bone.

References. (1) He, W.; Rajasekharan, A. K.; Bagha, A.; Andersson, M., Adv. Mater. 2015, 27, (13), 2260-2264.

Poster 32

Exploring perylene based chromophores with enhanced solid state performance

Khushbu Kushwaha, Kati Stranius and Karl Börjesson

Department of Chemistry and Molecular Biology, University of Gothenburg Email: [email protected]

In several emerging research fields, such as triplet-triplet annihilation and strong exciton-photon coupling,[1,2,3] the concentration of chromophores is of utmost importance. However, for the vast majority of chromophores, photo-physical properties such as emission quantum yields lowers significantly at high concentrations. Perylene is a well-established chromophore, highly absorbing and emitting in dilute solution. In this project, we aim at modifying perylene, to create alkyl substituted derivatives, with retained photo-physical properties at high concentration as compared to dilute solutions. We were able to synthesize 1-alkylperylenes in good to excellent yields by reacting perylene with alkyllithiums at low temperature (Fig.1). In case of sterically hindered alkyl lithium such as t-BuLi, reaction afforded 3-tert-butylperylene exclusively. Further, 2-tert-butylperylene was synthesized by Friedal Crafts alkylation of perylene in presence of aluminium chloride as lewis acid. Synthetic strategies, as well as photo-physical properties in solution and in the solid state is presented.

Figure 1. Synthesized alkyl substituted Perylenes.

References. 1. Hutchison, Liscio, Schwartz, Canaguier-Durand, Genet, Palermo, Samorì, Ebbesen, Advanced

Materials, 2013, 25, 2481-2485. 2. Lidzey, Bradley, Skolnick, Virgili, Walker, Whittaker, Nature, 1998, 395, 53-55. 3. Wang, Vasa, Pomraenke, Vogelgesang, Sio, Sommer, Maiuri, Manzoni, Cerullo, Lienau, ACS

Nano, 2014, 8, 1056-1064.

Poster 33

Transmission Electron Microscopy Studies on Bone-Mimetic Nanocomposites

Antiope Lotsaria, Anand K. Rajasekharana and Martin Anderssona

a Applied Surface Science, Department of Chemistry and Chemical Engineering, Chalmers University of Technology, Gothenburg, SE-412 96, Sweden


In order to compensate the increasing clinical need for bone repair and regeneration, novel bioinspired materials must be developed. One way to design and produce such materials is by trying to mimic the natural bone growth processes and exploit the advances in additive manufacturing (3D printing) [1]. The design incorporates a polymeric matrix (that could play the role of collagen) which has a strict alignment, structure and space confinements and calcium phosphates (CaP) which are being used in a similar manner as in nature for the mineral phase of bone. The transformation from amorphous CaP to crystalline hydroxyapatite (HAp) is achieved through an aging route which is analogous to the natural mineralization procedure for bone growth [2].

Bone exhibits a complex hierarchical structure but its nanoscale architecture is the basic building block. In order to identify if the 3D printed composites resemble the bone structure down to the atomic level, Transmission Electron Microscopy techniques are the most suitable.

In this work, we employ various TEM techniques to monitor the microstructural evolution of the mineral phase from the amorphous to the crystalline state, to study the structure and morphology of the HAp crystals, and to define their nanoscale alignment and confinement between printed polymer fibrils according to the material design.

References. [1] A.-K. Rajasekharan, R. Bordes, C. Sanström, M. Ekh, and M. Andersson, Submitted

[2] W-X. He, A. K. Rajasekharan, A. R. Tehrani-Bagha and M. Andersson, Advanced Materials 27, 2260-2264 (2015).

Poster 34

Gelation of 3D printed nanocellulose induced by crosslinked hemicellulose

Kajsa Markstedt, Guillermo Toriz Gonzalez and Paul Gatenholm

Wallenberg Wood Science Center

Department of Chemistry and Chemical Engineering, Chalmers, Sweden


3D printing - the emerging technology enabling customized products, minimal material usage and quick adaptation from idea to product - is implemented in a wide range of fields. Recently, wood based materials are being evaluated as a sustainable material for 3D printing of which cellulose nanofibril (CNF) dispersions show good printing fidelity in 3D bioprinters. However, the printed constructs need to be gelled or solidified to prevent them from collapsing upon handling1. In wood, cellulose in the plant cell walls is held together by a crosslinked matrix of hemicelluloses and lignins. This project aims at mimicking the crosslinking function in wood by modifying hemicelluloses so they form hydrogels upon enzymatic crosslinking2-3. Still, these hemicelluloses are not printable since their viscosity is too low. With an all wood based ink composed of CNF and HT we take advantage of the rheological properties of CNF and the crosslinking ability of modified hemicelluloses. Upon crosslinking, the printed CNF:HT ink forms a hydrogel with its printed shape intact. Inks with different ratios of CNF:HT have been compared with respect to rheological properties and printability. The final mechanical properties of the printed hydrogel will depend on the miscibility of CNF and HT as well as the adsorption of HT to CNF. Thus, the study includes adsorption measurements and dynamic light scattering. In summary, we present a sustainable all wood based ink, inspired by nature, which can be used for 3D printing of constructs with customized design and adaptable gel properties.

References. 1. Markstedt, K.; et al., Biomacromolecules 2015, 16, 1489-1496.

2. Markstedt, K.; et al., Carbohydr. Polym. 2017, 157, 1349-1357.

3. Kuzmenko, V.; et al., Carbohydr. Polym. 2014, 102, 862-868.

Poster 35

Triazolobenzothiadiazole-Based Materials for Near-Infrared Polymer Light-Emitting Diodes

Petri Murtoa, Alessandro Minottob, Zewdneh Genenea, Andrea Zampettib, Mats R. Anderssona, Franco Caciallib, and Ergang Wanga

aDepartment of Chemistry and Chemical Engineering/Applied Chemistry, Chalmers University of Technology, Gothenburg, Sweden

bDepartment of Physics and Astronomy and London Centre for Nanotechnology, University College London, London, United Kingdom


Conjugated oligomers and copolymers emitting light in the near-infrared (NIR) region are attractive for the fabrication of solution processable, flexible, and stretchable polymer light-emitting diodes (PLEDs). Highly efficient NIR emitters find applications in security cameras and light fidelity (Li-Fi) optical networks, and even in biocompatible electronics and photodynamic therapy.1

Our recently published work presents a series of new materials based on triazolobenzothiadiazole (BTT) as the NIR emitter.2 We used two different approaches in the molecular design: the BTT unit is either incorporated into a wide band gap polymer backbone (random copolymer) or blended with a suitable host polymer matrix (host/guest blend). In both cases, only a small amount of BTT (0.5%) is needed for efficient energy and charge transfer. We report external quantum efficiency (EQE) > 1% at 850 nm, which is the highest value obtained so far from a purely organic (metal-free) NIR PLED. Both copolymer and blend devices exhibit turn-on voltages (Von) below 5 V (down to 1.7 V). Moreover, our devices reach operational currents up to 100 mA/cm2, which makes the BTT-based materials promising candidates for real-life applications.

Figure. Chemical structures of the BTT-based copolymers and architecture of the PLEDs.

References. [1] M. S. White, M. Kaltenbrunner, E. D. Głowacki, K. Gutnichenko, G. Kettlgruber, I. Graz, S. Aazou, C. Ulbricht, D. A. M. Egbe, M. C. Miron, Z. Major, M. C. Scharber, T. Sekitani, T. Someya, S. Bauer, N. S. Sariciftci, Nat. Photon. 2013, 7, 811. [2] P. Murto, A. Minotto, A. Zampetti, X. Xu, M. R. Andersson, F. Cacialli, E. Wang, Adv. Optical Mater. 2016, 4, 2068.

Poster 36

State-of-the-art Powder Diffraction Beamlines and In-situ Methods at the ISIS Neutron Facility

Seikh M Habibur Rahmana, Paul Henrya,b, Stephen Hull b, Sten Erikssona

a Department of Chemistry and Chemical Engineering, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden

b The ISIS Neutron Facility, Rutherford Appleton Laboratory, UK Email: [email protected]

We are involved in upgrading the neutron powder diffraction beamlines POLARIS, HRPD and IMAT at the ISIS neutron spallation source in UK. To exploit these instruments, we have an active programme to develop a suite of sample environment cells (See Figure 1). Research areas benefitting from this program include for example hydrogen storage materials, fuel cell and interconnect materials, corrosion, magnetic, ferroic and thermoelectric materials, cultural heritage research, development of pharmaceuticals, and materials recycling.

Our direct involvement in activities at ISIS enables us to secure and develop competence in neutron scattering, instrument and sample environment design as well as data analysis

methods. All these activities are of great importance in their own right, but the combined synergistic effects have a strong scientific impact within diverse areas like solid state chemistry, solid state physics, mechanical engineering, materials recycling, and materials science in general.

Besides the instrument and sample environment cell development we will present upgrade work concerning data handling and analysis software. All the issues will promote high-impact science to be performed, not the least when it comes to finding structure property correlations and performing in-situ/in-operandi studies under controlled and “real-world“ conditions.

Figure 2. In-situ electrochemical cell for the POLARIS beamline

Poster 37

3D bioprinting of nanocellulose-laminin based constructs for induced pluripotent stem cells (iPS) differentiation

Erik Romberga, Erdem Karabuluta,b , Alma Forsmancde, Rocío Castro Viñuelascde, Linnea Stridh Orrhulta, Stina Simonssoncde, Paul Gatenholma,b

a3D Bioprinting Center, Department of Chemistry and Chemical Engineering, Chalmers

bWallenberg Wood Science Center, cInstitute of Biomedicine at Sahlgenska Academy, dDepartment of Clinical Chemistry and Transfusion Medicine, eUniversity

of Gothenburg Email: [email protected]

Modern healthcare is in grave need for compatible tissue for applications ranging from skin and cartilage to organ replacements with complex functionality. As of now there are no viable options to transplantation of donated tissue, implying a strictly limited availability. Trying to meet the demand and the immensely complexity of human biology new techniques is required. A possible solution could be found in the technique of bioprinting, a combination of additive manufacturing and a cell based biological system. By using induced pluripotent stem (iPS) cells, the possibility to manufacture any type of tissue should be within the grasp of the technique. The major challenges for bioprinting are locating a biocompatible and printable material that also promotes cell adhesion and proliferation. In this study, we focus on designing and creating a bioink for bioprinting, by combining the material aspects of nanocellulose and laminin, a cell adhering glycoprotein. Cell viability and cell morphology has been evaluated for iPS cells during 6 weeks. All constructs were 3D bioprinted allowing for both seeding and printing with cells. We are aiming for a printable material with pluripotent cells that through differentiation have the ability to transfer to all cell types found in the body.

Figure. A representation of combining nanostructure of cellulose fibrils with human cells trough a laminin interaction

Poster 38

Nanocomposite with Polyethylene and Functionalised Cellulose Nanocrystals

Karin Sahlina,b, Mikaela Börjessona, Patrik Rosendahla, and Gunnar Westmana,b

aDepartment of Chemistry and Chemical Engineering, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden

bWallenberg Wood Science Center, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden


Biomimicry is becoming ever more popular as a way of creating functional and smart materials. Nanocomposites for instance, take inspiration from natural materials such as wood and bone, and usually consists of organic or inorganic fillers with at least one dimension in the nanometre range, that are embedded in a polymeric matrix. Nanocelluloses, both crystals and fibrils, are interesting as fillers in nanocomposites, due to their excellent mechanical properties as well as that they can be fractionated from biomass. There is however an issue when it comes to dispersing nanocelluloses in hydrophobic polymer matrices, as the interactions between nanocellulose particles are more favoured than interactions at the interface between cellulose and the hydrophobic polymer, leading to agglomeration, which will result in a heterogeneous blend and even deteriorated mechanical properties. As both a uniform mixing and the adhesion at the interface between filler and polymer are key for the mechanical properties this issue must be addressed in order to be able use nanocelluloses in polymeric nanocomposites.

The poster will present recent advances in functionalising cellulose nanocrystals with azetidinium reagents and will show that the mechanical properties of linear low-density polyethylene will improve upon addition of modified CNCs. Different functionalities and symmetries, are introduced on the azetidinium reagents to tailor interactions with the polymer matrix. Some examples of functionalised CNCs are shown in figure 1 below.

Figure 1. CNCs grafted with azetidinium reagents with different functionalisation. From left to right: dihexylamine, diallylamine, morpholine and nonylpropylamine.

References. Azizi Samir, M.A.S.; Alloin, F.; Dufresne, A., Review of Recent Research into Cellulosic Whiskers, Their Properties and Their Application in Nanocomposite Field. Biomacromolecules 2005, 6 (2), 612-626.

Poster 39

High Temperature Oxidation – The Influence of Water Vapour

Tommy Sanda, Christine Geersa

a Department of Environmental Inorganic Chemistry, Chalmers University of Technology, SE-41296 Gothenburg, Sweden


High temperature corrosion is the degradation of a material influencing the life time and functionality. It is a critical degradation mechanism for construction materials such as steel subject to high temperatures in operation in e.g. chemical processing and power generation. At high temperature the steel reacts with the environment resulting in the formation of metal oxides that either can protect the material from further corrosion or cause impaired life time due to excessive oxidation.

Most stainless steels are protected from further oxidation by the formation of a Cr2O3-scale forming on the surface of the steel. If the temperature is sufficiently high or the environment contains corrosive compounds this protective scale can break down causing accelerated corrosion rates. Water vapour is a corrosive compound that together with oxygen reacts with the Cr2O3-scale forming volatile CrO2(OH)2 that depletes the chromium from the scale reducing the corrosion resistance of the metal [1]. This study present the basic difference between high temperature exposures of stainless steels in air with and without water vapour.

References. [1] Asteman, H., Svensson, J.-E., Johansson L.-G., Evidence for Chromium evaporation influencing the oxidation of 304L: The Effect of Temperature and Flow Rate. Oxidation of Metals, 2002. 57 (3/4). p. 193-216.

Poster 40

Synthesis of novel functionalized graphene derivatives

Severin Schindlera, Steffen Brüllsa and Siegfried Eiglerb

aDepartment of Chemistry and Chemical Engineering, Chalmers Tekniska Högskola, Kemivägen 10, 412 96 Göteborg

bInstitut für Chemie und Biochemie, Freie Universität (FU) Berlin, Takustraße 3, 14195 Berlin


Over the past decade, the material graphene has received wide attention in the scientific community due to its exceptional properties, such as high strength, light weight and good conductivity.[1] In order to attain the many envisioned future applications of this material,[2] the synthesis as well as the modification of graphene need to be studied in detail. In our group, we focus on the wet chemical synthesis of graphene starting from graphite. By applying relatively mild reaction conditions, monolayers of oxo-functionalized graphene (oxo-G1) can be synthesized and then further reduced to graphene with a controlled low density of defects in the honeycomb lattice.[3] Oxo-G1 can also be used as a starting material for further covalent functionalization of graphene, leading to new graphene derivatives with specific properties.[4]

Another part of our research focuses on the synthesis of small organic molecules with special properties, such as redox activity or substrate-specific sensor molecules. These molecules are allowed to interact with graphene and the properties of these novel composite materials are being studied.

Figure 1. Left: Graphene oxide with a density of defects of several % and proposed related structure of graphene; right: oxo-G1 with a density of defects <0.5% and various oxo-functional groups.

References. [1] A. K. Geim, K. S. Novoselov, Nature Materials 2007, 6, 183-191. [2] K. S. Novoselov, K. Kim et al., Nature 2012, 490, 192-200. [3] S. Eigler, Chem. Commun. 2015, 51, 3162-3165. [4] C. E. Halbig, P. Rietsch, S. Eigler, Molecules 2015, 20, 21050-21057.

Poster 41

Strong light matter interactions for facilitated light emission

Kati Stranius and Karl Börjesson


Our aim is to explore a novel concept on the extraction of light from the electronically excited molecular states. Triplet states have small transition dipole moments and thus emit light much slower and inefficiently than the singlet states. This is, for example leading to deactivation and degradation in the phosphorescent organic light emitting diodes (OLEDs). Molecular system that could channel excitation energy through a singlet pathway no matter whether the molecule is excited to a singlet or triplet state would thus directly contribute to the development of more stable and efficient light emitting devices.

One possible way for tuning the energy levels is to use of strong coupling of molecules to vacuum fields. The strong-coupling is achieved when light-matter interactions are large leading to the formation of two hybridized light-matter polaritonic states; P- and P+ (see Figure). 1,2

We are here demonstrating the possibility to selectively manipulate singlet states without perturbing the energy of triplet states by placing the molecule in an optical cavity. The changes in emission properties of the molecule inside the cavity are detected by using the steady state and time resolved optical spectroscopy techniques.

Figure. Schematic diagram of a cavity, formed by two mirrors that is in resonance with the absorption

of molecule that hybridizes with the cavity, splitting the state into two hybrid states.

References.

4. Törmä and Barnes, Rep. Prog. Phys., 2015, 78, 013901. 5. Ebbesen, Acc. Chem. Res., 2016, 49 (11), 2403–2412.

Poster 42

Analysis of the poroviscoelastic behavior of covalently crosslinked hydroxyethylcellulose for biomedical applications

Antonella Vietria, Diego Caccavoa,Gaetano Lambertia, Anna Strömb,c, Anette

Larssonb,c

a Department of Industrial Engineering, University of Salerno, 84084 Fisciano, Italy

b SuMo BIOMATERIALS, VINN Excellence Center, Chalmers University of Technology, Göteborg, Sweden

c Pharmaceutical Technology, Chemistry and Chemical Engineering, Chalmers University of Technology, Göteborg, Sweden

Hydrogels are three-dimensional polymeric network capable of absorb large amount of water. They are composed of long hydrophilic polymer chains interconnected by cross-links, which prevent the network dissolution. They are used in several frontier fields, such as in drug delivery applications, tissue engineering applications, etc. This work is connected to the use of hydrogels for the treatment of low back pain, where the purpose is to replace degraded “Nucleus Pulposus” with a hydrogel. With the aim of further investigate the hydrogels’ behavior, in this work the mechanical characterization of covalently crosslinked HydroxyEthylCellulose (HEC) was carried out and a mathematical model capable of describe the diffusion coupled with the viscoelasticity of hydrogels has been developed, implemented and tested. The HEC was crosslinked by the Divinyl Sulfone (DVS) and the mechanical properties of the HEC gels were determined through stress relaxation tests and frequency sweeps. The frequency sweep test gave demonstrated a predominant elastic character and low viscous properties of the prepared HEC gels. Unconfined tests showed that increasing the degree of crosslinking of the HEC, the stress reaches higher values (for a given strain). Regarding the modeling results, an optimization procedure was performed on a stress relaxation test in order to determine the elastic moduli G , G and the relaxation time τ. Once the parameters were estimated the model was able to predict the gel behavior at different strains.

Fig. 1. Model predictions of stress relaxation tests (left picture); HEC gels (right picture)

Poster 43

Tailored mesoporous silica for the immobilization of formaldehyde dehydrogenase

Milene Zezzi do Valle Gomes and Anders Palmqvist

Department of Chemistry and Chemical Engineering, Chalmers University of Technology, SE-412 96 Gothenburg- Sweden


The bioconversion of CO2 to methanol requires the use of three enzymes in a cascade reaction as follows: formate dehydrogenase (FateDH) converts CO2 to formate; formaldehyde dehydrogenase (FaldDH) reduces formate to formaldehyde; and alcohol dehydrogenase (ADH) reduces formaldehyde to methanol[1]. The intermediate step, catalyzed by FaldDH, is considered the bottleneck reaction[2]. Therefore engineering of the system is needed to improve this reaction. One strategy to be used is to immobilize FaldDH in mesoporous materials in order to increase the stability and activity of this enzyme.

In this work two MCF materials were synthesized: MCF1 with a pore size of 26.8 nm and window size of 10.5 nm; and MCF2 with a pore size of 32.9 nm and window size of 13.0 nm. The surface of the materials was functionalized to contain 3 different functional groups: octyl, mercaptopropyl and chloromethyl groups.

The specific activity of the free enzyme was found to be 0.83 mmol·gFaldDH-1·min-1. After immobilization in MCF1 (with and without surface modification) the enzyme lost its activity. However when immobilized in MCF2 the enzyme showed activity with all functional groups. A slight increase in the activity was observed when FaldDH was immobilized in MCF2 functionalized with mercaptopropyl groups, suggesting that interactions between the thiol groups in the surface of the material and the enzyme can stabilize the FaldDH better. Even though, MCF2 has big pores no significant leakage of the enzymes was observed during the reactions.

These results show the importance of tailoring the support material for the enzyme immobilization. It is not sufficient that the enzyme fits the pore but it also has to have enough space to undergo conformational changes during the reactions. Likewise, the functionalization of the MCF surface can be used to increase the enzyme stability and activity.

References. [1] R. Obert and B. C. Dave, Journal of the American Chemical Society 1999, 121, 12192-12193.

[2] J. Q. Luo, A. S. Meyer, R. V. Mateiu and M. Pinelo, New Biotechnology 2015, 32, 319-327.

CHEMICAL SYSTEMS: MODELLING AND SYNTHESIS

Poster 44

Towards efficient synthetic methods for non-toxic monomers and polymers for organic electronics

Josué Ayuso, Ergang Wang

Department of Chemistry and Chemical Engineering, Chalmers University of Technology. Kemivagen 10, SE-412 96, Gothenburg, Sweden


The Suzuki-Miyaura cross-coupling reaction is highly desirable for the fabrication of π-conjugated polymers due to its wide functional group tolerance, high regioselectivity, and easy removal of low-toxicity by-products.1 However it remains underexplored as a synthetic tool for producing novel and high-performance semiconducting polymers due to the difficulty of preparing the borylated monomers in high yields and purities, and due to side reactions during the Suzuki-Miyaura polymerization, i.e., monomer protodeboronation, that leads to low molecular weights and poor yields of polymer.

Robust boron protecting groups such as N-methyliminodiacetic acid (MIDA) boronate esters have proven to be effective cross-coupling partners even for borylated heterocycles highly prone to deboronation, such as thiophenes and pyridines.2 Likewise, they have demonstrated to be excellent monomers in electron-rich substrates.3 These high-fidelity boron-functionalized monomers, where available, are usually found in donor substrates, and examples with acceptor units (e.g., as trifluoroborate salts) are rare.4

Naphthalene diimides (NDI) are widely used moieties that possess high electron affinities, and are promising candidates as acceptor units for fullerene-free OPVs.5 In this contribution the synthesis of NDI-derived boron-based monomers are investigated via metal-free annulation6 of the parent NDI-bis-ethynyl-MIDA boronate. Thus, naphtho[2,3-b:6,7-b’]dithiophene-4,5,9,10-tetracarboxylic-diimide-2,7-diyl-MIDA-boronate ester, 1, is used to synthesize high molecular weight copolymers with all electron-accepting units and donor-acceptor units. Conditions for hydrolysis of the boronate ester moiety for effective transmetallation during polymerization are discussed. Reactivity of 1 is further explored with a range of electronically distinct dihalogenated comonomers.

References. 1. Suzuki, A. Angew. Chem. Int. Ed., 2011, 50, 6722-6737 2. Burke, M.D., Gillis, E.P., Aldrichimica Acta., 2009, 42, 17-27 3. Ayuso Carrillo, J., Turner, M.L., Ingleson, M.J., J. Am. Chem. Soc., 2016, 138, 13361-13368 4. Lee, J.-K., et al., J. Am. Chem. Soc., 2011, 133, 9949-9951 5. Al Kobaisi, M., et al., Chem. Rev., 2016, 116, 11685-11796 6. Nakano, M., Takimiya, K., Chem. Mater., 2017, 29, 256-264

Poster 45

Absolute Asymmetric Synthesis of a Tungsten Carbonyl Complex that Gives Strong Signals in Solid State VCD

Per Martin Björemark and Mikael Håkansson


Vibrational Circular Dichroism (VCD) spectroscopy can be used to study optically active compounds and is often run in solution or as a neat liquid[1]. Several milligrams may be needed to get good spectra which is a disadvantage comparing to CD. Compounds that racemize in solution, such as many metal complexes, cannot be analyzed with CD or VCD in solution. CD-analysis in the solid state has previously been performed in KBr discs[2] and we set out to try this with VCD and discovered as suspected that spectra for single crystals of conglomerates had weak signals and that more sample or stronger IR signals were needed. Carbonyls frequently give strong signals in IR and we started a search for a metal-carbonyl conglomerate.

We have synthesized and solved the crystal structure of the new compound [W(CO)4PS] (see figure). This compound crystallizes as a conglomerate in the orthorhombic spacegroup P212121 and racemizes very fast in solution. We have from a racemic mixture succeeded to obtain enantiopure batches of both enantiomers via Viedma ripening[3]. We have obtained VCD-spectra in the carbonyl region with samples as small as a tenth of a milligram in the solid state.

Figure: Solid state VCD-spectrum showing both enantiomers of [W(CO)4PS] (0.1 mg in 100mg KBr).

References 1. Nafie L.A. Vibrational Optical Activity. UK: John Wiley & Sons; 2011 2. Kuroda R. Honma T. CD Spectra of solid-state samples. Chirality 2000; 12:269-277 3. Viedma C. Chiral Symmetry Breaking … Phys. Rev. Lett. 2005; 94: 065504

-3

-2

-1

0

1

2

3

1000 1200 1400 1600 1800 2000

VCD

IR

0

0.4

0.8

(S)-[W(CO)4PS]

(R)-[W(CO)4PS]

Δ-A

* 1

04

Abs

orba

nce

Wavenumber (cm-1)

WPOC

SOCCO

COPh

Ph

Poster 46

Mysterious formation of diatomic molecules in space: Radiative association of CH

Daria Burdakovaa, Magnus Gustafssonb, and Gunnar Nymana

aUniversity of Gothenburg bUniversity of Luleå


When new stars are born, matter is contracting towards their center of mass during a so called gravitational collapse. The gravitational energy is then transformed into kinetic energy, similar to a falling object. For the star formation to continue efficiently, some of the kinetic energy must be removed, which can occur by emitting electromagnetic radiation [1]. Emission of electromagnetic radiation can be efficiently done by molecules. Therefore knowing which molecules are present in the interstellar media, how they are created and destroyed is of importance when considering star formation.

This work was concentrated on the radiative association reaction of the CH molecule. Radiative association is the process where a molecule is formed, from two atoms or smaller molecules, while emitting a photon (i.e. electromagnetic radiation). The CH molecule was chosen for this study because of its occurrence in several chemical reactions in the interstellar medium, the sun, and comets [2]. The focus of the study was to calculate the reaction cross sections and reaction rates for the CH molecule and its isotopes. The reaction cross section is a measure of how frequently the atoms will collide and form a molecule. The cross section is then used to obtain the reaction rate constant, thereby giving an understanding of the formation process of the molecule.

Figure. Radiative association reaction cross sections of the CH and the CD molecules.

References. 1. D. Prialnik (2000). An Introduction to the Theory of Stellar Structure and Evolution. Cambridge University Press. pp.198–199 2. B. D. Abdallah, et al (2008). Ab initio potential energy surfaces for the study of rotationally inelastic CH(X2Π) + H(2S) Collisions, Chem.Phys. Lett. 456, 7-12

Poster 47

Triplet to singlet energy transfer in composite molecules

Alexei Cravcencoa and Karl Börjessona

aDepartment of Chemistry and Molecular Biology, University of Gothenburg Email: [email protected]

In organic electronics the control of electron spin states is of the utmost importance. For instance, charge recombination in commercial organic light emitting diodes (OLED) leads to a statistical mixture of excited states being 25% singlet (spin coupled) to 75% being triplet (spin uncoupled). Typically, the singlet states emit light much faster than the triplet states, and therefore a singlet emitting state is preferred. Thus, efficient methods to convert the excited triplet state of a donor unit to give an excited singlet state of an acceptor are of importance. Only two such methods have been discussed in the literature, thermally activated delayed fluorescence (TADF) and triplet-triplet annihilation (TTA). Both these approaches have positive attributes, however both these systems suffer from low quantum efficiency prompting a need to develop more efficient spin-converting systems. We suggest that Förster type energy transfer could be a potential alternative to aforementioned methods. The energy, in this case, is transferred through a dipole-dipole interaction between the transition dipole moments of the donor and acceptor moieties. Furthermore, the Förster type mechanism has been shown to efficiently facilitate this type of desired energy transfer between molecules at fairly large distances (up to 100 Å). We have set out to design a donor-acceptor dyad that in a controlled fashion will allow transfer of excitation energy from the triplet state of the donor (3D*) to the singlet state of the acceptor (1A*).

3D* + 1A = 1D + 1A* Considerations for the molecular design require separation of donor from acceptor units using rigid sp3-hybridized linker. This bridging unit should also provide favorable conditions for:

Maximizing the rate of triplet to singlet energy transfer

Minimizing Dexter type triplet to triplet energy transfer

Minimizing charge exchange between the acceptor and the surroundings

The successful outcome of our project could potentially be a competitive improvement for phosphorescent OLED technologies, offering high productivity and more sustainable solutions for the market.

Poster 48

Towards the Development of Release-and-Report Kinase Inhibitors as Molecular Tools for Investigating Neurodegenerative Disorders

Cassandra Fleminga, Morten Grøtlib and Joakim Andréassona

aDepartment of Chemistry and Chemical Engineerging, Chalmers Univeristy of Technology

bDepartment of Chemistry and Molecular Biology, University of Gothenburg Email: [email protected]

Protein kinase enzymes play a critical role in a number of cellular processes. More recently, the aberrant regulation of lymphocyte-specific protein tyrosine kinases (Lck) has been associated with the over activation of microglia cells (important immune effector cells that reside in the central nervous system, CNS) and in turn, the development of Alzheimer’s disease (AD).1 Unfortunately, the detail of Lck's dynamic function and the importance of quantitative, spatial and time-dependent parameters regarding microglia activation are poorly understood. Therefore, the ability to manipulate Lck activity using light as an external stimuli, would allow for temporal control of enzymatic activity, serving as a valuable approach to selectively probe the dynamic behaviour of Lck in microglia cells — furthering our understanding of AD as a result.

While such studies cannot be performed using conventional Lck inhibitors, we are developing a stimuli-responsive release-and-report system. The development of such a system is to be achieved through the inclusion of a photolabile caging moiety onto a fluorescent Lck inhibitor that exhibits FRET-governed ‘OFF-ON’ fluorescent changes in concert with the release and subsequent binding of the bioactive to the kinase enzyme. Hence, the time and location of the photoactivation can be controlled by the user (Figure 1).

Figure 1. Photocleavage of caging moiety to release the active form of the kinase inhibitor.

References. 1. Hong, S. et al., Science, 2016, 10.1126/science.aad8873.

Poster 49

Photocatalytic Reduction of Aromatic Carboxylic Acids to Corresponding Aldehydes

Sebastian Kaminski, Henrik Nordensvan, and Carl-Johan Wallentin*

Department of Chemistry and Molecular Biology

Gothenburg University, 41296 Gothenburg (Sweden)

[email protected]

In an ongoing project, we continue to explore the synthetic utility of the robust acyl radical generation methodology developed previously in the group. Using a photocatalyst, an in situ-formed mixed acid anhydride is reduced via a single-electron process to furnish an acyl radical, which can subsequently engage in a hydrogen atom transfer reaction providing access to the corresponding aldehyde. The photoredox method enables the synthesis of highly functionalizable aldehyde products under mild conditions directly from carboxylic acids – a transformation that has posed a significant challenge throughout the history of chemical synthesis.

Figure. Photocatalytic generation of acyl radicals followed by hydrogen abstraction yielding aromatic

aldehydes.

Poster 50

Strategies towards PROTAC-mediated Myc degradation

P.-St. Kuhn,a,b L. Green,a B. Louchez,b L. M. Nilsson,a J. Mårtensson,b and J. A. Nilssona

a Department of Surgery, Institute of Clinical Sciences, Sahlgrenska Cancer Center at the University of Gothenburg, Medicinaregatan 1G, 413 90 Göteborg, Sweden.

b

Department of Chemistry and Chemical Engineering, Division of Chemistry and

Biochemistry, Chalmers University of Technology, Kemivägen 10, 412 58 Göteborg, Sweden.

Email: [email protected] / [email protected]

In 2001, heterobifunctional molecules referred to as proteolysis targeting chimeras (PROTACs) were presented for the first time. [1] Since then, several groups have reported on the selective degradation of different proteins important in cancer biology in vitro as well as in vivo. [2–4] In general this approach is suitable to degrade every protein for which a specific small molecule ligand can be developed, and can become a platform that rivals kinase inhibitors or monoclonal antibodies.

Within this project we investigated the degradation of the Myc protein, which is responsible for universal upregulation of gene expression and plays a pronounced role in cancer biology.

MYC inhibitorNH

ONH

NNH

O

O

O

O

Xn

X = C, O

Figure 1. Representative molecular structure of the presented potential myc-PROTACs.

A series of potential PROTACs has been established (Figure 1), which has shown promising preliminary biological data so far. For example, one myc-PROTAC showed a more than 20-fold higher potency against λ820 cells regarding cell viability compared to its parent Myc-inhibitor. Additional cell cycle studies revealed an increased population in G1 phase as well as more apoptotic cells for the PROTAC. The next goals are to establish structure-activity-relationships from cell as well as in vivo data to improve the properties of the first generation of potential Myc-PROTACs and finally obtain suitable drug candidates for further investigations

References. 1. Sakamoto, K.M. et al., Proc. Natl Acad. Sci. 98 (15), 2001, 8554–8559. 2. Winter, G.E. et al., Science 348, 2015, 1376–1381. 3. D.P. Bondeson et al., Nature Chemical Biology, 2015, 11, 611–617. 4. M. Toure and C.M. Crews, Angew. Chemie Int. Ed. 2016, 55, 1966–1973.

Poster 51

Open your eyes to drug release from a cloudy solution

Filip Nylandera, Gunnar Westmana

aOrganic chemistry, Department of Chemistry and Chemical Engineering, Chalmers Email: [email protected]

Clouding behaviour of cellulose ethers has been shown to influence their behaviour in pharmaceutical applications, used for controlling drug release.1 We have previously extracted, chemically modified and characterized arabinoxylan from barley husk and shown the structural variation by molecular weight distribution, NMR spectroscopy and infrared spectroscopy.2 We hypothesize that the clouding behaviour of arabinoxylan ethers will vary, in relation to their chemical modification pattern. The purpose of this poster is to present the differences in clouding behaviour of arabinoxylan ethers from barely husk (Figure 1) and how it relates to their potential as drug release agents.

Arabinoxylan was extracted from barley husk, modified using epoxidation and alkylation and characterized using IR and high-resolution solution-state 2D NMR. The arabinoxylan ethers phase behaviour in water solution was investigated.

Figure 1. Cloud temperature of arabinoxylan ether with varying degrees of

hydroxypropylation/methylation: 1.1 (high/high), 1.0 (high/low), 0.1 (low/high), 0.0 (low/low).

References. 1. a) The European Pharmacopeia 8th ed. (2014). Strasbourg: EDQM Council of Europe. b) Viridén, A. Wittgren, B. and Larsson, A. (2009) European Journal of Pharmaceutical Sciences, 36, 297–309. 2. Nylander, F.; Westman, G. Submitted for publication, 2017

Poster 52

Redox Neutral Dual Functionalization of Electron Deficient Alkenes

Fredrik Petterssona, Giulia Bergonzinib, Carlo Cassania, and Carl-Johan Wallentina

aDepartment of Chemistry and Molecular Biology, Gothenburg University, 41296

Gothenburg (Sweden) bCardiovascular and Metabolic Diseases, Innovative Medicines and Early

Development Biotech Unit, AstraZeneca, Pepparedsleden 1, 43183 Mölndal (Sweden)


Multicomponent reactions forming -functionalized -diketones under mild conditions have been utilized in an operationally convenient manner by means of visible-light photoredox catalysis. Carboxylic acid derivatives form acyl radicals in situ via single-electron reduction, which in turn react further via 1,2-acylalkylation of olefins in an intermolecular, three components cascade reaction, yielding complex molecules from readily available starting materials. A diverse set of substrates have been used, demonstrating robust methodology with broad substrate scope.

Figure. Photoredox-catalyzed intermolecular three component synthesis of -functionalized -

diketones.

Poster 53

Covalent organic framework films on surfaces

Martin Ratscha and Karl Börjessona

a University of Gothenburg, Kemigården 4, 412 96 Göteborg Email: [email protected]

Covalent organic frameworks (COFs) represent a relatively new class of porous, organic and organized structures, which contain only light elements like B, C, N, H, O and Si. This light version of metalorganic frameworks (MOFs) has already shown outstanding properties when it comes to high thermal and hydrothermal stabilities, low weight and high internal surface area.1 Properties making them highly suitable for applications like gas storage2 and sensing3 , separation3, catalysis3 or drug delivery3. Nevertheless applications which require mechanical strength, like in electronics and electrochemistry are very limited since mostly small grain powders have been made using existing technology.

During this research project we want to develop new methods to synthesize COF-films on surfaces (e.g. gold). The approach is based on a templated structure which has the advantage of a covalent connection between the electronically conductive (or non-conductive) surface and the continuous COF-film. This covalent connection is an improvement which will result in new applications within material and chemical science.

Figure 1: Growing a COF-film by flowing two different building blocks alternately over the surface.

References 1. Waller, P. J.; Gandara, F.; Yaghi, O. M., Accounts of Chemical Research 2015, 48 (12), 3053-3063. 2. Konstas, K.; Taylor, J. W.; Thornton, A. W.; Doherty, C. M.; Lim, W. X.; Bastow, T. J.; Kennedy, D. F.; Wood, C. D.; Cox, B. J.; Hill, J. M.; Hill, A. J.; Hill, M. R., Angewandte Chemie-International Edition 2012, 51 (27), 6639-6642. 3. Van Humbeck, J. F.; Aubrey, M. L.; Alsbaiee, A.; Ameloot, R.; Coates, G. W.; Dichtel, W. R.; Long, J. R., Chemical Science 2015, 6 (10), 5499-5505.

Poster 54

Discovering the influence of the underlayer in Cu2O photocathodes

Alberto Visibilea, Michael Buschb, Alessandro Minguzzia, Alberto Vertovaa, Sandra Rondininia and Elisabet Ahlbergc

a Università degli studi di Milano, Via Golgi 19 20133, Milano (Italy) bChalmers University of Technology, SE-412 96 Gothenburg (Sweden)

cUniversity of Gothenburg, Kemigården 4, SE-412 96 Gothenburg (Sweden) Email: [email protected]

Photo-electrochemical water splitting (PEC-WS) is a sustainable route to synthetize pure hydrogen using water and solar light. A remarkable candidate for this purpose is Cu2O, a non-toxic and abundant p-type semiconductor with the appropriate band gap and band positions. Most efforts were spent in the evaluation of the proper synthetic procedure for this material1 but lack of information is still present about the influence of the supporting material.

In this work with the combined use of Density Function Theory (DFT) and electrochemistry we want to shine light on the underlayer role in PEC-WS system. Preliminary electrochemical measurements indicate a strong influence of the underlayer on the final performance of the Cu2O photoelectrode. The presence of a specific metallic underlayer can either lead to the spontaneous doping of the semiconductor or to the formation of Cu or O vacancies. The formation of Cu vacancies has been found paramount for the efficient creation of holes,2,3 the majority carriers in a p-type semiconductor. Doping, on the other hand, can modify the band gap widening the fraction of the solar light useful for the electron-hole couple generation in the semiconductor4. To explore the ability of different underlayers to generate Cu vacancies or doped Cu oxides a large number of potential metallic underlayers was screened by DFT calculations. This will provide useful information to better understand the parameters affecting the doping of Cu2O and allow us to identify potential candidates which will be tested in the laboratory.

References.

1. A. Paracchino et al. Nature Materials 10, 456–461 (2011) 2. M. Nolan et al. Thin Solid Films 516 (2008)1468–1472 3. M. Nolan et al. Thin Solid Films 516 (2008) 8130–8135 4. A. Soon et al. Current Applied Physics 13 (2013) 1707-1712

ENERGY AND ENVIRONMENT

Poster 55

Source apportionment of particulate matter sampled during ships’ emission measurement campaign in the city of Gothenburg,

Sweden

Samuel M. Gaitaa, Fredrik Qvicka, Dan Galla, Jan B. C. Petterssona, Erik Thomsona and Johan Bomana

aDepartment of Chemistry and Molecular Biology, University of Gothenburg, Göteborg, SE41296, Sweden


Evaluation of sources of airborne particulate matter with aerodynamic diameter less than 2.5 µm (PM2.5) to air pollution is of major concern in Nordic cities due to the tightening of European Union (EU) air pollution regulations (EU, 2015). In the port regions, the economic growth has translated into increased traffic of ships whose emission control and regulations are less strict compared to those related to vehicular emissions.

PM2.5 samples were collected from port and urban sites within Göteborg, in November, 2014 on a polycarbonate filter for a 24 h period at 3 L min-1 using cyclone sampler. The collected PM mass was analysed for black carbon (BC) and trace elements.

Average PM2.5 concentration from the port area was 8.4 µg m-3 and was higher by 25% compared to the concentration at the urban site. The BC concentration accounted for 67% of percentage composition of the identified elements at the port area and 64% at the urban area. S dominated at both sites accounting for 19% at the port area and 15% at the urban site. The observed difference was attributed to high sulphur content in ship fuel as opposed to the low sulphur content in vehicular gasoline. The concentrations of Fe, Cl and Ca were higher at the urban site and this observation was linked to contribution from non-exhaust vehicular emissions. Positive Matrix Factorization analysis identified possible PM2.5 sources to include; traffic, combustion, marine and ship/refinery.

In conclusion, the results from this study have shown that PM sources related to port activities are a significant factor in drafting of the mitigation strategies of maintaining the air quality standards set by EU and WHO.

This work was supported by Forskningsrådet Formas, CRAICC, Göteborg Energi, Göteborg Hamn, BACCHU, NCC and Vetenskapsrådet.

References EU (2015) Air Quality Standards, European Commission, page visited on 13th March 2015 http://ec.europa.eu/environment/air/quality/standards.htm

Poster 56

Novel organic materials for aqueous flow batteries

Cedrik Wiberga and Ergang Wanga

aChalmers University of Technology, Gothenburg, Sweden Email: [email protected]

Reducing the carbon emissions caused by energy production is currently one of our planet’s most central sustainability challenges. To alleviate this situation, renewable energy technologies such as solar cells and wind power plants are being developed with great attention. Their utilization, however, is hindered by the irregularity of wind and sunlight. One solution to this problem is storing the produced energy during periods of high supply and returning it to the grid when the supply declines. This is currently being done using pumped-storage hydroelectricity or the environmentally harmful lithium ion battery technology.

Flow batteries based on organic molecules hold large potential to compete with lithium-based batteries in terms of performance, cost and environmental impact for grid-connected energy storage.[1] The technology utilizes the negative and positive redox-active molecules dissolved in water and stored in two separate containers. Upon charge or discharge, the respective solutions are pumped through a porous graphite electrode in a fuel cell-like reactor. Due to having the reactor and the electrolyte tanks separate, the energy capacity can be raised only by increasing the amount of active material and the tank size, making the system ideal for large-scale applications. Additionally, almost all components are easily replaceable, facilitating maintenance and long-term stability.

In the project, the reduction potentials and aqueous solubilities for a selection of quinone-reminiscent molecules are predicted by employing DFT-calculations, and the most promising materials are synthesized and evaluated for use in flow batteries. Focus is placed on molecules with a high chemical stability and reversible electron transfer process.

References. Reference 1. E. S. Beh, D. De Porcellinis, R. Gracia, K. Xia, R. G. Gordon, and M. Aziz, ACS Energy Lett., 2017, 2, 639–644

Poster 57

Triplet-Triplet Annihilation Photon Upconversion: Altering the Solar Spectrum

Victor Graya, Ambra Dreosa, Damir Dzeboa, Karl Börjessonb, Paul Erhartc, Bo Albinssona, Maria Abrahamssona and Kasper Moth-Poulsen

a Department of Chemistry and Chemical Engineering, Chalmers University of Technology, Gothenburg, Sweden

b Department of Chemistry and Molecular Biology, University of Gothenburg, Gothenburg, Sweden


Photon-Upconversion (UC) through Triplet-Triplet Annihilation (TTA) is a process that can produce one high-energy photon from two absorbed low energy photons. Therefore Triplet-Triplet Annihilation (TTA) photon-upconversion has gained a lot of interest lately as it might offer an efficient way of converting low energy solar photons into higher energy photons, more suitable for solar power production and solar energy storage [1]. The TTA system consists of a triplet sensitizer and an emitting species, typically metallo-porphyrins and polyaromatic molecules respectively. Two key steps are involved in the TTA photon-upconversion process; Triplet energy transfer between sensitizer and emitter and the triplet-triplet annihilation between two triplet excited emitters generating one singlet-excited emitter. We have studied the substitution effect on the commonly used emitter 9,10-diphenylanthracene (DPA) and found that the singlet and triplet surface shapes of the annihilator play an important role for achieving high upconversion quantum yields (UC). For example, 9,10-bis(phenyethynyl) anthracene (BPEA), has a much lower UC (2%) compared to DPA (15%). This difference is explained by the softer rotations in the case of BPEA, readily accessible at room temperature, giving rise to stronger changes in the excitation energies than in the case of DPA [2].

Figure. Singlet (S) and triplet (T) surfaces of DPA (blue) and BPEA (red) as function of phenylgroup rotation (). Image of UC blue emission from DPA upon excitation of Pt-porphyrin with green light.

References. Gray, V., Dzebo, D., Abrahamsson, M., Albinsson, B., and Moth-Poulsen, K., Phys. Chem. Chem. Phys., 2014, 16, 10345-103523. Gray, V., Dreos, A., Erhart, P., Albinsson, B., Moth-Poulsen, K., Abrahamsson, M., submitted

Poster 58

Effects of suphuric acid and limonene ozonolysis products coatings on soot morphology and hygroscopicity

X.Y. Peia, M. B. Poulsenb, A. C. Erikssonb, E. Ahlbergc, E. Z. Nordinc, J. H. Pagelsc, B. Svenningssonb, E. Swietlickib, M. Hallquista, and R. K. Pathaka

aDepartment of Chemistry and Molecular Biology, University of Gothenburg, 41296, Gothenburg, Sweden

bDepartment of Physics, Lund University, 22100, Lund, Sweden cErgonomics and Aerosol Technology, Lund University, 22100, Lund, Sweden


Particles containing soot are commonly considered to have a warming effect on the climate, because they can strongly absorb solar radiations. However, secondary organic aerosols (SOA), formed by atmospheric oxidation of precursor gases, which are known to be a major fraction of atmospheric aerosols, can scatter light and act as cloud condensation nuclei (CCN), thereby having a cooling effect on the climate (IPCC, 2013). Coatings on soot surface such as sulphuric acid and SOA can modify the morphology of soot particles and change the optical properties and cloud forming properties significantly (Mikhailov et al., 2006).

Fresh soot particles have a non-spherical shape. Effective densities of all sizes of coated soot particles increase, whereas the dynamic shape factors of all sizes of coated soot particles decrease with more coatings, indicating the coatings transform soot particles into more spherical shape. Sulphuric acid is more efficient in transforming soot particles to spherical shape than limonene ozonolysis products. Morphology of soot particles in the atmosphere not only depends on the mass of coating of soot surface, but also depends on the chemical compositions of coatings.

Fresh soot particles did not show any activation into cloud droplets at supersaturations below 2 %. However, if small amounts of sulphuric acid or SOA condensed onto the soot particles, the required supersaturation for activation was decreased to values below 1 %. The ability of soot particles to activate into cloud droplets increased further with increasing amount of condensed sulphuric acid or SOA.

References.

IPCC (2013). Climate Change 2013: The Physical Science Basis. Working Group I Contribution to the

IPCC 5th Assessment Report - Changes to the Underlying Scientific/Technical Assessment. Cambridge,

U.K.: Cambridge University Press.

Mikhailov, E. F., Vlasenko, S. S., Podgorny, I. A., Ramanathan, V., and Corrigan, C. E. (2006). J. Geophys. Res. - Atmos. 111.

Poster 59

A Bottom-up Operando DRIFTS Study of the Inhibiting Effect of Water on Methane Oxidation Catalysts Title

Peter Velina, Magnus Skoglundha, and Per-Anders Carlssona

aCompetence Centre for Catalysis, Chalmers University of Technology, Gothenburg, 412 96, Sweden


Transport fuels rich in methane (CH4) such as natural gas and biogas deliver more energy relative to the carbon dioxide (CO2) emissions compared to conventional fuels due to the high hydrogen-to-carbon ratio of. While this is good, it is also a disadvantage because significant amounts of water vapor are being formed. Water vapor has proven to strongly deactivate aluminium oxide (Al2O3) supported Pd-based catalysts, which today are used to oxidize CH4 emissions. Understanding of the mechanisms behind water inhibition has been identified as a key step for the development of new catalyst formulations, which need to fulfil stricter regulations. Here, Pd/ Al2O3 model catalysts and its individual components (PdO and Al2O3) are investigated with operando IR spectroscopy in diffusive reflectance mode (DRIFTS) to correlate the decreased catalytic activity for CH4 oxidation upon water addition with the evolution of surface-bound species. The results show that the IR absorption peak for CO2, observed during dry CH4 oxidation over PdO powder disappears after addition of 1% water to the feed. No OH adsorbates were observed in the PdO spectra, likely due to a too low surface area. While switching from dry to wet CH4 oxidation conditions over pure γ-Al2O3and θ-Al2O3 powders, 1 negative peak attributed to a decrease of freely vibrating linearly bounded OH groups. The decrease in IR absorption at this frequency depends on a higher OH coverage leading to hydrogen-oxygen electron lone-pair interaction and an absorption peak of lower frequency. For the Pd/ Al2O3 model catalysts, the negative absorption peak is not observed, indicating that adsorption of Pd atoms occupy these sites. Two types of bridge-bonded OH groups are seen for Al2O3 and Pd/ Al2O3. The difference between these surface-bound species is that the OH group associated with the lowest wavenumber only binds to four-coordinated aluminium atoms, while the other peak is attributed to an oxygen atom bounded to both four- and six-coordinated aluminium cations. During dry CH4 oxidation, formation of OH species is only observed for the Pd/ Al2O3 model catalysts, which implies that the PdO-Al2O3 interplay is decisive to facilitate low temperature activation of CH4. A large build-up of OH groups is then seen after water vapor addition, indicating a significant effect from the external water feed. Spectra recorded after the supply of CH4 and H2O has been turned off, confirms a strong OH stability, requiring higher temperatures (>500°C) to be totally decomposed.

Poster 60

Liquid water stability on atmospheric particle surfaces

Dimitri Castarèdea, Merete Bildeb and Erik Thomsona

aAtmospheric Science, Department of Chemistry, University of Gothenburg, Gothenburg, Sweden.

bDepartment of Chemistry, Aarhus University, Aarhus, Denmark. Email: [email protected]

Soluble atmospheric particles like sea salts, have been observed to initiate the condensation of water at very low humidity1,2. This action of solvation has various implications for the physico-chemistry of the atmosphere, including cloud formation, evolution, and radiative forcing and thus needs to be captured in atmospheric models3. Current descriptions of particle dissolution are captured by parametric equations, which do not provide a comprehensive picture of the process. Here, we present a model that predicts thin liquid water films are stable on particle surfaces. We propose an intermolecular force balance that can stabilize liquid water at humidities well below saturation.

Figure. System considered: A particle being gradually engulfed and dissolved by a brine layer.

The model captures observed behavior of the hygroscopic growth for simple electrolyte compounds, but could be generalized to any soluble or partially soluble particle in the atmosphere. Furthermore, we predict the complete evolution from the dry particle through a neutral equilibrium characterized by a growing film. Thus, given the correct intermolecular force balance, the surface of any particle may contribute to an, as yet unquantified, atmospheric water reservoir.

References. (1) Hämeri, K.; Laaksonen, A.; Väkevä, M.; Suni, T. Hygroscopic growth of ultrafine sodium chloride particles. Journal of Geophysical Research: Atmospheres 2001, 106, 20749–20757.

(2) Biskos, G.; Russell, L. M.; Buseck, P. R.; Martin, S. T. Nanosize effect on the hygroscopic growth factor of aerosol particles. Geophysical Research Letters 2006, 33, L07801.

(3) Stocker, T. F., Qin, D., Plattner, G. K., Tignor, M., Allen, S. K., Boschung, J., Nauels, A., Xia, Y., Bex, V., Midgley, P. M., Eds. IPCC, 2013 Climate Change 2013: The Physical Science Basis. Contribution of Working Group I to the Fifth Assesment Report of the Intergovernmental Panel on Climate Change; Cambridge University Press: Cambridge, United Kingdom and New York, NY, USA, 2013; p 1535.

Poster 61

Synthesis of New Norbornadienes for Solar Energy Storage Applications and Testing in Devices

Ambra Dreos,a Karl Börjesson,b Zhihang Wang,a and Kasper Moth-Poulsen1a

a Chalmers University of Technology, Department of Chemistry and Chemical Engineering, Göteborg, Sweden b University of Gothenburg, Department of

Chemistry and Molecular Biology, University of Gothenburg, Göteborg, Sweden Email: [email protected]

Molecular Solar Thermal Energy Storage (MOST) systems are based on molecules that absorb sunlight and photoconverts to a high energy isomer.1 The stored energy can be released (as heat) on demand by applying e.g. a catalyst (see Figure 1). The norbornadiene (NBD) – quadricyclane (QC) system is one example of compounds with potential use in MOST systems1-

3 (Figure 1).

Figure 1. Schematic energy diagram for a MOST system.

New norbornadienes were synthesized and characterized in order to create a deeper understanding of the structure-property relation in these systems. A hybrid device that combines MOST and solar water heating was built and tested. The built device is an important step towards realizing new technologies for solar energy storage and molecular solar thermal systems.

References. Reference 1. T.J. Kucharski, Y. Tian, S. Akbulatov, and R. Boulatov, Energy Environ. Sci. 2011, 4, 4449 Reference 2. A. D. Dubonosov, V. A. Bren and V. A. Chernoivanov, Russ. Chem. Rev., 2002, 71, 917 Reference 3. A. Lennartson, A. Roffey and K. Moth-Poulsen, Tetrahedron Lett., 2015, 56, 1457

Poster 62

Clean drinking water, naturally!

Simon Isakssona, Fredrik Höökb and Martin Anderssona

aApplied Chemistry, Chalmers bBiological Physics, Chalmers Email: [email protected]

Access to clean drinking water is of great importance for a healthy life, yet almost 700 million people are left without.1 What needs to be done? One issue with current drinking water production is that it is energy demanding. This is particularly evident in processes such as desalination, where drinking water is produced from sea water using applied pressure as the driving force.

We develop a water filter from the blueprints of nature, where protein nanopores called aquaporins selectively transport water across the cell membrane in all living species. These proteins facilitate energy-efficient passage of water across the cell membrane, which is impermeable to contaminants. In our filter, a simplified cell membrane containing aquaporins is supported by a porous silica film to enhance its stability (Figure 1). We have, for the first time, shown that the simplified cell membrane readily forms on the porous silica film and that the proteins utilize the space offered by the pores,2 which are important milestones on the route towards energy-efficient drinking water production.

Figure 1. Schematic illustration showing a water filter developed based on biomimicry. Untreated water is applied from the top and selectively filtered through the membrane protein aquaporin (blue). The lipid bilayer (brown) prevents contaminants from passing through the filter. Porous silica (grey) stabilizes the lipid bilayer and the proteins.

References.

1. Progress on Drinking Water and Sanitation: 2015 update; WHO, UNICEF, 2015.

2. Isaksson, S.; Watkins, E. B.; Browning, K. L.; Lind, T. K.; Cardenas, M.; Hedfalk, K.; Hook, F.; Andersson, M. Nano Letters 2017, 17, (1), 476‐485.

Poster 63

Environmental Molecular Beam Studies of Molecular Level Interactions between Water and a Condensed Nopinone Surface

Sofia M. Johanssona, Xiangrui Konga,b, Erik S. Thomsona, and Jan B. C. Petterssona

a Department of Chemistry and Molecular Biology, Atmospheric Science, University of Gothenburg, Sweden

b Laboratory of Environmental Chemistry, Department of Energy and Environment, Paul Scherrer Institute, Switzerland


Biogenic highly volatile organic compounds such as β-pinene are emitted to the atmosphere in abundance by coniferous vegetation where they undergo rapid gas phase oxidation, and thereby produce lower volatility compounds like nopinone.1 These lower volatility compounds may participate in new particle formation or condense on existing particles. Water uptake on these organic surfaces will influence their chemical composition as well as their physical properties and thus alter the impact these aerosol particles may have on the climate. In this work we present novel experimental observations of water interactions with nopinone employing the Environmental Molecular Beam (EMB) method.2 The EMB technique enables studies of molecular level interactions at near ambient pressure, generating information about molecular collision dynamics, including scattering, desorption, and accommodation. Here a solid nopinone surface is condensed from the vapour phase and probed at a temperature of 200 K using pulses of water (D2O) molecules. The water molecules are directed onto the nopinone surface and the resulting molecular flux from the surface is detected over a wide range of scattering angles. The experimental results indicate that water accommodation on the nopinone surface is close to unity after which a large fraction is rapidly desorbed. Despite the seemingly hydrophobic properties of individual nopinone molecules, the efficient surface uptake is substantial on the time scale of the experiments. This work illuminates the underlying molecular processes that control water interactions with the atmospherically relevant nopinone surface. Connections to and the implications for the behaviour of the large reservoir of atmospheric volatile biogenic compounds are discussed.

References. 1. I. G. Kavouras, N. Mihalopoulos, E. G. Stephanou, Geophys. Res. Let. 26(1), 55-58 (1999). 2. S.M. Johansson, X.R. Kong, P. Papagiannakopoulos, E. S. Thomson, and J.B.C. Pettersson,

Rev. Sci. Inst. 88(3), 035112 (2017)

Poster 64

Dream Reaction Come Ture? Direct Conversion of Methane to Methanol over Cu-Zeolites

Xueting Wang, Magnus Skoglundha, Johan Gustafsonb, Anders Hellmana and Per-Anders Carlssona

aCompetence Centre for Catalysis, Chalmers University of Technology, Göteborg, 412 96, Sweden

bSynchrotron Radiation Research, Lund University, Lund, 221 00, Sweden Email: [email protected]

Methane, as the simplest alkane and the main component in natural gas, attracts much attention as energy source due to its abundance on earth. Moreover, with the increased production of biogas, biomethane will be widely accessible as renewable energy source. One way to utilize the energy from methane is to convert it into other liquid phase chemicals such as methanol. This approach benefits energy transportation and storage. To avoid the two step conversion through syngas, direct conversion of methane to methanol at low temperature is an attractive alternative for its possible low energy consumption and high atom economy. This solution, however, faces great challenge because it is kinetically difficult [1]. Inspired by the chemical functionality of methane monooxygenase, an enzyme that can selectively oxidize methane to methanol, Cu-exchanged zeolites have been tested for this reaction. However, an activation-oxidation-extraction reaction cycle needs to be employed for methanol production.

In our work, we investigated the activities of materials containing different types of Cu species. It has been observed that only isolated Cu ions are active for this reaction. The methanol production, however, is not satisfying. For seeking a solution to break the activation-oxidation-extraction reaction cycle and thereafter improve the catalytic performance, deeper understandings of each step in the cycle is required. Therefore, we follow the dynamic interaction between methanol, the reaction product, and Cu-ZSM-5 using IR spectroscopy. The results suggest strong interaction between methoxy groups and sites in zeolite, which justify the necessity of proton extraction for methanol production.

References. 1. P. Tang, Q. Zhu, Z. Wu and D. Ma, Energy & Environmental Science, 2014, 7, 2580-2591

Poster 65

Phosphorus recovery from a seaweed-based biorefinery

Viktor Anderssona, Joakim Olssonb and Eva Albersb

aEnergy Technology, Department of Space, Earth and Environment bIndustrial Biotechnology, Department of Biology and Biological Engineering


Fuel based on marine seaweed does not compete with food production, which was the main argument against first generation biofuels. At the same time, the oceans are becoming increasingly eutrophic and the contributing factor from agricultural run-off water is difficult to prevent. One way to reduce eutrophication is to use seaweed for biofuel production and subsequently recover the phosphorus content

in the seaweed. By recovering the phosphorus one step towards the vision of a circular economy can be achieved, and production of energy intensive synthetic fertilizers can be avoided. 17 Mtonne P/year of synthetic fertilizers per year is produced globally, giving rise to approximately 11-13 Mtonne CO2eq/year[1,2]. A suitable algae for cultivation has been identified; Ulva intestinalis, which is tolerant in salinity, hence it can be cultivated along large parts of the Swedish coast. In total 24 samples have been collected from 8 places along the coast (see Figure 1), subjected to hydrothermal liquefaction (HTL, see

Figure 2) as a suitable pathway for biofuel production. The aim is to study the effect of salinity and nutrient availability on the composition of Ulva sp. and if the composition has any effect on the biofuel yield. The phosphorus can then end up in 3 of the 4 resulting fractions after HTL: the bio-oil, the aqueous phase, or the solids phase. Depending on where the phosphorus ends up, the recovery process needed is different (e.g. chemical or thermal) [3]. Samples from all 8 locations are now being processed in an HTL reactor to determine overall yield, and which of the phases the phosphorus ends up in. References. [1] Ecoinvent Version 2 – ecoinvent n.d. http://www.ecoinvent.org/database/older-versions/ecoinvent-version-2/ecoinvent-version-2.html (accessed December 19, 2016). [2] Reijnders L. Phosphorus resources, their depletion and conservation, a review. Resources, Conservation and Recycling 2014;93:32–49. doi:10.1016/j.resconrec.2014.09.006. [3] Cabeza R, Steingrobe B, Römer W, Claassen N. Effectiveness of recycled P products as P fertilizers, as evaluated in pot experiments. Nutrient Cycling in Agroecosystems 2011;91:173–84. doi:10.1007/s10705-011-9454-0.

Figure 1: 8 places along the Swedish coast where samples for Ulva Sp. have been collected.

Gas

Solids

HTL Process

Bio-oil Aqueous

phase

Seaweed biomass

Figure 2: The hydrothermal liquefaction (HTL) process, which is carried out at 350°C and 15 MPa.

Poster 66

Flexible and efficient Hydrometallurgical recycling of Li-Ion batteries of different chemistry

Gabriele Lombardoa, Martina Petranikovaa, Burcak Ebina, Britt-Marie Steenaria, Christian Ekberga

aChalmers University of Technology, Department of Chemistry and Chemical Engineering, Division of Industrial Materials Recycling and Nuclear Chemistry,

Kemivagen 4, Gothenburg SE-412 96, Sweden Email: [email protected]

Lithium-ion batteries are now the most diffuse power source for portable electronic devices and could be considered one of the best technology for sustainable transport, because they can provide high energy and power per unit of battery weight, so be lighter and smaller than other rechargeable batteries. It is evident the necessity to develop process of recycling of LiB, not only for economic reasons, but also to meet the government regulations for the sake of sustainability and safety hazards associated with disposal of spent lithium batteries. Spent lithium batteries are generally composed by a set of components with different chemical composition. Furthermore, the need for high-energy batteries for electric vehicles will imply the use of even new materials and technologies in future generations of high voltage batteries. This means that a recycling process should be flexible enough to treat different battery chemistries. Aim of the project is optimization of a pyrolytic thermal pre-treatment and a hydrometallurgical process in order to extract and recover valuable metals, as cobalt, but also copper, aluminum and lithium from spent lithium batteries. The car battery cells were treated in order to separate the black mass (metal bearing material consisted of active material and carbon) from the current collector. To make this possible the organic binder (polyvinylidene fluoride, PVDF) has to be dissolved or thermally decomposed. This is necessary because PVDF cover the surface of the black mass, limiting its contact with leaching medium. Also PVDF causes that some portion of black mass is still attached on the foils after crashing, affecting the treatment of mechanical separation. We studied the possibility of a pyrolytic removal of organic compounds (PVDF) from spent lithium ion accumulators and how the pyrolysis affects chemical and physical composition of the material. It was expected that the pyrolysis could increase the purity of the black mass and the carbon present in the active material generated CO during the process. This reductive atmosphere can determine the reduction of metal oxides and so simplify the solvent extraction and leaching. A flexible hydrometallurgical process will be developed for an economically convenient metal recovery. The recovery of the elements that are most abundant (Cu, Al, Mn, Ni, Co and Li) is carried out by solvent extraction and precipitation.

Poster 67

Investigating the effect of Fe as a poison for catalytic HDO over Ni-MoS2 catalysts

Prakhar Aroraa, Houman Ojagha, Jungwon Wooa, Louise Olssona, Stefan Nyströmb , Eva Lind Grennfeltb and Derek Creasera

aChemical Engineering, Competence Center for Catalysis, Chalmers Universit bPreem, Sweden


Introduction Catalytic hydrodeoxygenation (HDO) is one pathway to convert tall oil, waste vegetable oils and animal grease to renewable fuel [1]. These bio-oils contain different impurities which could act as poisons for catalysts which are different than typical poisons found in crude oil. Additionally, such feeds contain fatty acids and resins acids which intrinsically have a high TAN (total acid number) and are corrosive. During transportation and storage, these acids corrode iron vessels to produce their respective iron salts [2]. In this work, we report on the effect of Fe as a poison on the reactivity and selectivity during hydrodeoxygenation (HDO) of oleic acid over Ni-MoS2 and MoS2 catalysts. Results and Discussion In a typical experiment, it was observed that oleic acid gives two major final products: heptadecane via decarboxylation and octadecane via hydrodeoxygenation route. Selectivity was higher for the C17 product by a ratio of 2:1. An increased concentration of poison delayed the conversion of oxygenates, which could be due to blocking of active sites (see Figure 1). However, as a higher concentration of the iron complex was employed in the experiments, it also changed the selectivity drastically towards the hydrodexoygenation (HDO) route over decarboxylation. An additional set of experiments was carried out with a MoS2 catalyst to distinguish the interaction of poison (Fe) with Ni and Mo. Figure 1. Comparison of oxygenates conversion (A) and product selectivity (B) for high poison (HP =2500 ppm Fe) and no poison (LP =0 ppm Fe) experiments.

References

[1] D. Kubička, L. Kaluža, Deoxygenation of vegetable oils over sulfided Ni, Mo and NiMo catalysts, Applied Catalysis A: General, 372 (2010) 199-208.

[2] T. Ouni, V. Sippola, P. Lindqvist, Use of renewable oil in hydrotreatment process, US9206092 B2, 2015.

Poster 68

Synthesis, structure and ionic conduction of Ba2MTaO6 (M= Ce, Pr)

Seikh M Habibur Rahmana, Xuncheng Shia, Sten Erikssona



Nowadays, developing novel solid electrodes and electrolytes is a rather demanding materials challenge for the commercialization of Solid Oxide Fuel Cell (SOFC). One aspect of this task is to lower the working temperature of SOFCs below 600-700 °.[1-3] On the other hand for oxide or proton conducting electrolytes, the materials must have sufficient ionic conductivities (with area specific proton resistances below 0.1 Ωcm2) and they should be chemically

stable. Therefore new materials are being searched for. It has been shown that Ba3Ca1.18Nb1.82O9-δ shows good proton conductivity[4]. In this project we focus on synthesising phase pure Ba2CeTaO6 and Ba2PrTaO6 samples by mainly the solid state sintering method. The samples are characterized by X-ray powder diffraction (see Fig.1), thermogravimetric analysis (TGA), and finally the electrical properties characterised by Impedance Spectroscopy (IS). After the refinement using the Rietveld method based on the XRD data, it shows a monoclinic (space group I2/m) structure for both samples. In order to further understanding of local ordering of the cations, neutron diffraction and total scattering data will be collected and will be further analysed with the method of reverse Monte Carlo (RMC).

For further studies, samples with other ratios of Ce and Ta, as well as Pr and Ta, will be synthesized.by different techniques such as solid state sintering, wet chemical and microwave assisted hydrothermal methods. The samples prepared by the different methods will be compared and evaluated with respect to achieved materials properties and structure.

References. 1.Kreuer, K., Proton-conducting oxides. Annual Review of Materials Research, 2003. 33(1): p. 333-359. 2.Norby, T., Solid-state protonic conductors: principles, properties, progress and prospects. Solid State Ionics, 1999. 125(1): p. 1-11. 3.Zuo, C., et al., Ba (Zr0. 1Ce0. 7Y0. 2) O3–δ as an Electrolyte for LowTemperature SolidOxide Fuel Cells. Advanced Materials, 2006. 18(24): p. 3318-3320. 4.Du, Y. and A. Nowick, Galvanic cell measurements on a fast proton conducting complex perovskite electrolyte. Solid State Ionics, 1996. 91(1-2): p. 85-91.

Second treatment at 1400°C

Figure 3. XRD evolution for Ba2CeTaO6

PROCESS AND PRODUCTION

Poster 69

A comparison of different Continuum modeling of particle flows in high shear granulation

Mohammad Khalilitehrani1, Eva Maria Gomez Fino 1, Per J. Abrahamsson1 and Anders Rasmuson1

1Department of Chemical Engineering, Chalmers University of Technology, SE-412 96, Göteborg, Sweden

E-mail address of corresponding author: [email protected]

High shear granulation (HSG) is a common process in pharmaceutical industry. In a typical HSG equipment there is a coexistence of relatively dilute (solid volume fractions ranging from 0.3 to 0.5) and dense regions (ranging from a volume fraction of 0.5 to the maximum packing of the material). A better understanding of the flow conditions of powders and granulates in large scale HSG equipment is crucial for constructing predictive models. The staggering amount of particles in the process makes the use of continuum flow models highly attractive. The traditional models like KTGF with added friction provide an unrealistic stress field and typically high error. Consequently, a more precise formulation of transport coefficients is demanded.

This article compares and evaluates different approaches for continuum modelling in HSG systems covering the full range of solid volume fraction. The study is focused on, and compared with experimental data for, a MiPro granulator. The dilute regions are modelled with the standard KTGF model. The dense regions are either modelled using a framework developed by Jop et.al. [1], treating the dense flows with pseudo-plastic rheology; or using modifications to the transport coefficients describing the solid phase stresses similar to those used in Khain and Meerson [2]. The intermediate range of volume fraction which shows a transitional behavior from dilute to dense is specifically discussed.

Results show significant improvement comparing to similar studies from the past. A very good agreement between simulation and experiments is achieved. It should be noted that the proposed modelling frameworks are formulated for global range of volume fractions and could be applied to various particulate flows. To sum up, this research provides a better understanding of the multi-regime granular flows most especially the transitional behavior at intermediate range of volume fractions.

References

[1] P. Jop, Y. Forterre, and O. Pouliquen, “A constitutive law for dense granular flows.,” Nature, vol. 441, no. 7094, pp. 727–30, Jun. 2006

[2] E. Khain and B. Meerson, “Shear-induced crystallization of a dense rapid granular flow: Hydrodynamics beyond the melting point,” Phys. Rev. E, vol. 73, no. 6, p. 061301, Jun. 2006.

Poster 70

Supercritical fluid extraction of berry seeds: chemical composition, and antioxidant properties

Graziele Gustinelliab, Lovisa Eliassonb, Cecilia Svelandera, Thomas Andlida, Leif Lundina, Lilia Ahrnéabc and Marie Almingera

aDept. of Biology and Biological Engineering, Food and Nutrition Science, Chalmers University of Technology, Kemivägen 10, 412 96 Gothenburg, Sweden

bDept. of Bioscience and materials RISE Research Institutes of Sweden, Frans Perssons väg 6, 402 29 Gothenburg, Sweden

cPresent address: Dept. of Food Science, Ingredient and Dairy Technology, University of Copenhagen, Rolighedsvej 26, 1958 Copenhagen, Denmark


The processing of berries to juice generates seeds as by-products. Berry seed oils are rich in bioactive compounds such as polyunsaturated fatty acids, vitamin E and carotenoids. Different techniques can be used to extract these bioactive compounds. However, since the compounds can be degrading during the extraction it is important to select mild and efficient extraction tecniques. Supercritical fluid extraction (SFE) is a green technology, and has the advantages of using supercritical carbon dioxide (SC-CO2) as solvent which works at mild temperatures, solubilizes non-polar compounds and efficiently separates the SC-CO2 from the extract when the pressure is released.

SFE of bilberry, black currant and cloudberry seeds were carried out at 350 bar and at 50 and 80°C and compared with conventional solvent extractions. The effect of different extraction conditions on the content of fatty acid, vitamin E and carotenoids as well as free radical scavenging activity of extracts from berry seeds were investigated.

Cloudberry and black currant seeds had higher yield when extracted at 80°C, while the increase in temperature had no significant effect in bilberry seeds. The extracted oils were rich in polyunsaturated fatty acids (PUFA), ranging between 66.8 and 75.9%, with high proportions of linolenic and α-linoleic acid. Bilberry seed oils had the lowest n-6/n-3 ratios (0.9 to 1). Black currant seed oils had the highest concentrations of vitamin E (113.0 to 241.8 mg/100 g oil) and the highest antioxidant activity. Cloudberry seed oil obtained by solvent extraction had the highest content of carotenoids (57.0 mg/100 g oil). The high content of PUFA, vitamin E and carotenoids in the oils from bilberry, cloudberry and black currant seeds suggest these extracts as good sources of bioactive compounds and a possibility to be integrated to food products to add value.

Poster 71

Organosolv1 Biomass Pretreatment for Fuel Production

Vijayendran Raghavendran, Christos Nitsosb, Ulrika Rovab, Paul Christakopoulosb,

and Lisbeth Olssona

aIndBio Division, Dept. of Biology and Biological Engineering, CTH bChemical Engineering Division, LTU


Never has the issue of sustainability gathered so much importance than now. The latest report by the Intergovernmental Panel on Climate Change2 necessitates us to take drastic actions to combat the emissions of greenhouse gases. A rising population, an urban lifestyle and increased economic growth would place

enormous pressure on the global energy demand and food production. Thus, targeting industrial chemicals – valued at 3 trillion USD per year, with bio-based processes will enable the production of these chemicals from a non-petrochemical feedstock. Biomass is a renewable feedstock that is available abundantly. However, it needs to be processed, to release the sugars that can be utilised by microorganisms to produce various products of interest. Several pretreatment methods are currently available for biomass deconstruction, but inevitably they produce compounds, such as hydroxyl methyl furfural and furfural, that are toxic to the microorganisms. Organosolv pretreatment has shown much promise, as it yields three distinct and clean streams — cellulose, hemicellulose and lignin, that are microorganisms ‘friendly’. The cellulose stream can be hydrolysed using a cocktail of enzymes (Novozymes) to release the glucose monomers. In this study, we evaluated the sugar yields from the hydrolysis of organosolv pretreated spruce and birch biomass. References.

1. Nitsos C, Stoklosa R, Karnaouri A, et al (2016) Isolation and Characterization of Organosolv and Alkaline Lignins from Hardwood and Softwood Biomass. ACS Sustain Chem Eng 4:5181–5193. doi: 10.1021/acssuschemeng.6b01205

2. IPCC, 2014. Climate Change 2014: Impacts, Adaptation, and Vulnerability. Available at: http://www.ipcc.ch/report/ar5/wg2/ [Accessed April 07, 2017].

Striving towards the sustainable development goals formulated by the United Nations

Poster 72

Electrified fermentations enhance anaerobic lysine production by Corynebacterium glutamicum

Nikolaos Xafeniasa and Cathleen Kmezika

aDivision of Industrial Biotechnology, Department of Biology and Biological Engineering, Chalmers University of Technology, Gothenburg 41296, Sweden


It has been suggested that microbial fermentation rates and yields can be enhanced by application of external redox power in the form of electrical energy. We tested this hypothesis on lysine fermentation by Corynebacterium glutamicum ZW04 which we exposed to different conditions regarding the anaerobic gas environment (with N2 or CO2), applied electrode potential (cathodic -1.25 V, open circuit, anodic +0.45 V), and the presence of a redox mediator (anthraquinone-2-sulfonate; AQ2S). The gas environment was found to play a major role, with CO2 leading to double the lysine concentrations and yields when compared to N2. Electrode potentials also played a major role, with reductive conditions doubling the titers and increasing the yields of lysine up to 4 times. Addition of the electron carrier AQ2S under the presence of CO2 and reductive conditions led to additional doubling of the titers, although the yields were not altered considerably. Our study demonstrates for the first time that electrochemically assisted fermentations (electrofermentations) can significantly improve the yields and titers of lysine production compared to conventional fermentations, paving the way for bioprocess improvements based on the use of raw electricity.

Figure. Lysine production under reductive (-1.25 V), open circuit (no electric current flow), and oxidative

(+0.45 V) electrode conditions with CO2 (a), N2 (b), CO2 and the redox mediator AQ2S (c).

Poster 73

Experimental and numerical investigation of hydrodynamics of vertical falling films in a large-scale pilot unit

Anders Åkesjöa, Mathias Gourdona,b, Lennart Vamlinga, Fredrik Inningsc and Srdjan Sasicd


b Valmet AB, Göteborg, Sweden c Tetra Pak, Lund, Sweden

d Department of Applied Mechanics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden


Falling liquid film is a technique where a thin liquid film is flowing down an inclined or vertical wall in the presence of a gas layer. Advantages, such as a large contact area and high heat transfer at low flow rates give this technique excellent heat and mass transport characteristics. Hence, falling film is used in various fields, for instance food and pulp & paper industry. Regardless of the field of application, hydrodynamics influences other physical phenomena, e.g. heat and mass transfer, and therefore the overall performance of the unit. For that reason, there is great interest to study hydrodynamics of falling films.

In this poster, the hydrodynamics of vertical falling film for a large-scale pilot unit are investigated experimentally and numerically. We study a broad range of operating conditions covering several fluids and flow rates respectively. We compare wave-speed, wave frequency and film thickness measurements, conducted by a laser triangulation scanner, with those obtained from two-dimensional simulations directly solving the full Navier-Stokes equation using the volume of fluid (VOF) numerical framework. We examine the spatiotemporal evolution of the liquid film over a vertical distance of 4.5 meters. The impact of different inlet boundary conditions in terms of wave formation is also investigated. In both our experiments and simulations we identify a natural wave frequency of the system of approximately 10 Hz. We show how potentially erroneous conclusions can be made if the simulated domain is to short. We recommend an inlet disturbance consisting of a multitude of frequencies to achieve the natural wave frequency over relatively short streamwise distances.

BIOTECHNOLOGY

Poster 74

The Effect of Gut Microbiota Dysbiosis on Malnourishment

Parizad Babaeia, Manish Kumara, Boyang Jia and Jens Nielsena

a Department of Biology and Biological Engineering,


The human gastrointestinal tract harbors a densely populated and sophisticated community of microorganisms. This microbial community outnumber the human eukaryotic cells by a factor of ten and plays a significant role in maintaining human health by performing different metabolic tasks such as digestion of otherwise indigestible dietary components like complex carbohydrates as well as synthesis of valuable metabolites such as short-chain fatty acids, vitamins and essential amino acids. The gut microbiota dysbiosis is associated with many health problems including cardiovascular disease, malnourishment, obesity and type 2 diabetes, however, so far, no studies have shown causal relationships between the gut microbiota composition and human health status. Through mathematical modelling of the gut microbiota, it is possible to evaluate different hypothesis and hereby gain mechanistic insights into how the gut microbiota composition affects host metabolism. Genome-scale metabolic modelling is particularly well suited for this purpose as it is possible to reconstruct the metabolic networks of gut symbionts based on genomic information and then use constraint-based modelling for simulation of their metabolic functions. These models can be used to study microbial communities as well. The objective function of a community, however, is more complicated as there are several competing factors. We have implemented a novel approach to simulate a microbial community, in which the organism-level and community-level objective functions are separated and optimized in an iterative manner to the point that the local and the global optima converge. This optimization algorithm integrates well with diet analysis and can hereby be used to understand the metabolic microbe-microbe, diet-microbe and host-microbe interactions. We have used this method to elucidate metabolic interactions between the microbiota, diet and the host in a population of healthy and malnourished children. In this study, Genome-scale Metabolic models (GEMs) for the most abundant bacteria in the gut microbiota of healthy and malnourished children according to metagenomics data of fecal samples are reconstructed in order to systematically analyze the interaction between these species, human gut and diet and compare the community-level production. The detected differences in metabolite production could be used in prebiotic, probiotic, and diet design in order to shift malnourished community towards a healthier phenotype.

Poster 75

Constraint-based modelling of yeast mitochondria

Carl Malinaa and Jens Nielsena

aDepartment of Biology and Biological Engineering, Chalmers University of Technology, Gothenburg, Sweden


Mitochondria are long known as the powerhouses of eukaryotic cells, being the site of the TCA cycle and oxidative phosphorylation. However, the role of mitochondria extends to other vital cellular functions, as they play important roles in lipid metabolism, synthesis of heme and iron-sulfur clusters, as well as processing of metabolic intermediates. Given the importance of mitochondria for overall cellular and metabolic function, their dysfunction is implicated in a wide range of disorders and pathologies. Due to the inherent complexity of mitochondrial metabolism, a change in a small part of the metabolic network can have drastic effects on the overall function of the system, which can make predictions difficult without a systemic model.

Genome scale metabolic models (GEMs) are mathematical representations of the metabolic reaction network of an organism. These models consist of a large number of reactions and are highly underdetermined. In constraint-based modelling, the models are constrained by the stoichiometry of the network, upper and lower boundaries on reactions, and the assumption of a steady state. By using constraint-based modelling, complex phenotypes can be simulated as the consequence of changes in metabolic fluxes. Being one of the most well-studied eukaryotic organisms, Saccharomyces cerevisiae is used as a model organism for studies on mitochondrial function. My work is focused on constraint-based modelling and analysis using a GEM for S. cerevisiae to understand the function and dysfunction of mitochondria.

Poster 76

Biochemical and structural investigation of the CE15 family of enzymes: important enzymes acting to liberate hemi-cellulose from

lignin

Scott Mazurkewicha, Jenny Arnling Bååtha, Amanda Sörensen Ristinmaaa, Jens-Christian Navarro Poulsenb, Lisbeth Olssona, Leila Lo Leggiob and Johan Larsbrinka

a Division of Industrial Biotechnology, Department of Biology and Biological Engineering, Chalmers University of Technology, Gothenburg, Sweden

b Department of Chemistry, University of Copenhagen, Denmark Email: [email protected]

The use of fuels and materials derived from plant based biomass are an essential feature for meeting our global carbon commitments. The target compounds for the bioconversion of plant biomass into useable materials are the cell wall polymers cellulose, hemi-cellulose, and lignin. A challenge to the extraction and processing of biomass is the several chemical bonds which crosslink the polymers together. Glucuronyl esterases (GEs) are a relatively new class of enzymes which cleave an essential ester linkage connecting lignin to glucuronyl xylan (a hemi-cellulose found in many plant species including Spruce). Since the characterization of the first GE from Schizophyllum commune (1), GEs have now been identified in many biomass degrading microbes and the enzymes are now classified into a large protein family called the Carbohydrate Esterase Family 15 (CE15). Phylogenetic analysis of CE15 members has revealed that the protein family has a wide degree of sequence diversity (as low as 20% sequence identity) possibly indicating novel functions for some of the members. To-date, however, only a few GEs from a small clade of the CE15 phylogenetic tree have been biochemically characterized and only two protein structures of CE15 enzymes have been solved.

To investigate the diversity of CE15 enzymes and their biological role(s), we are studying a broad range of proteins across the CE15 phylogenetic tree. The activities of the enzymes have been assayed on model compounds and extracted biomasses using spectroscopy and chromatography. In addition, we are pursuing protein structures for a number of these enzymes to provide an in-depth understanding of the interactions of these enzymes with their substrates. Advancement of our understanding of these important enzymes could aid in the extraction and processing of plant based biomass.

References. (1) Španiková & Biely (2006), FEBS Lett 580:4597-4601.

Poster 77

Global analysis of secondary metabolite biosynthetic gene clusters reveals production of antibiotic yanuthones in penicillium species

Jens Christian Nielsena, Sietske Grijseelsb, Sylvain Prigenta, Boyang Jia and Jens Nielsena

aDepartment of Biology and Biological Engineering, Chalmers University of Technology, Sweden.

bDepartment of Biotechnology and Biomedicine, Technical University of Denmark, Denmark.


Filamentous fungi produce a wide range of bioactive compounds with important pharmaceutical applications, like antibiotic penicillins and cholesterol lowering statins. However, these compounds, broadly referred to as secondary metabolites (SMs), have been less studies in fungi, compared to those from bacteria. In this study, we sequenced the genomes of nine Penicillium species and together with 15 published genomes, we investigated the secondary metabolism of Penicillium and identified an immense, unexploited potential for producing SMs by this genus. A total of 1,317 putative biosynthetic gene clusters (BGCs) were identified and polyketide synthase and non-ribosomal peptide synthetase based BGCs where grouped into gene cluster families, and mapped to known pathways. We cross-referenced the predicted pathways with published and in-house data on production of SMs and experimentally validated new producers of antibiotic yanuthones, and identified a novel compound from the yanuthone pathway. Further work will focus on analyzing the secondary metabolism under inducing and non-inducing conditions, using transcriptome profiling and genome-scale modeling.

Poster 78

Enzyme usage in yeast during stress

Benjamín J. Sánchezab, Petri-Jaan Lahtveec, Eduard J. Kerkhovenab and Jens Nielsenab

aDepartment of Biology and Biological Engineering, Chalmers University of Technology

bNovo Nordisk Foundation Center for Biosustainability, Chalmers University of Technology

cInstitute of Technology, University of Tartu, Estonia Email: [email protected]

Enzyme usage, i.e. the amount of enzyme needed to catalyze the flux through a given reaction, is a relevant indicator of metabolic activity, as it tells us if a specific enzyme in the cell is close to saturation, hence potentially acting as a bottleneck in its corresponding pathway1. Enzyme usage is especially relevant at high enzymatic demand conditions, such as growth during stress, and it can be calculated by combining enzymatic and fluxomic data. However, given the large size and complexity of cellular metabolism, so far studies have been limited to analyze isolated pathways and not the whole network.

In this study we perform a systems-wide quantitative computation of enzyme usage in Saccharomyces cerevisiae (budding yeast) during stress conditions. For this purpose, we use an approach known as genome-scale modeling (GEM)2, which represents the metabolic network of our system, enhanced with enzyme constraints, i.e. limiting each reaction with the corresponding enzyme’s intracellular abundance. We use this framework together with absolute proteomic data of yeast grown under different stress conditions (temperature, ethanol and osmotic stress)3 to create condition-specific models, each one tailored to a specific condition by the measured protein levels. This way, for each condition and for each enzyme, the level of enzyme usage can be computed, allowing us to study it as a new layer of omic data. We show, for example, enzymes that increase or decrease their usage percentage under increasing levels of stress, pointing towards candidates to look into for improving stress tolerance. We also highlight enzymes that show a direct correlation between concentration and usage among all conditions, pointing towards candidates that have an important effect in regulating growth.

References. 1. Noor, E. et al. The Protein Cost of Metabolic Fluxes: Prediction from Enzymatic Rate Laws and

Cost Minimization. PLoS Comput. Biol. 12, 1–47 (2016).

2. McCloskey, D., Palsson, B. Ø. & Feist, A. M. Basic and applied uses of genome-scale metabolic

network reconstructions of Escherichia coli. Mol. Syst. Biol. 9, 661 (2013).

3. Lahtvee, P.-J. et al. Absolute Quantification of Protein and mRNA Abundances Demonstrate

Variability in Gene-Specific Translation Efficiency in Yeast. Cell Syst. 4, 1–10 (2017).

Poster 79

Discovery of novel cellulose degrading enzymes from soil-dwelling Bacteroidetes

Marcel Taillefera and Johan Larsbrinka

aChalmers University of Technology Email: [email protected]

Second generation biofuels are advanced fuels (ex. ethanol) generated from renewable biomass such as lignocellulosic materials. Cellulose is a very alluring biomass to utilize for fuel generation as it is the most abundant biopolymer on earth. However, most current industrial biofuel processes utilize organism incapable of direct cellulose utilization and therefore extensive pre-treatment is generally necessary greatly increasing the cost of manufacturing. While many cellulolytic systems have been previously described, the recent discovery of novel cellulolytic proteins reveals that there are still many systems that are poorly understood. Sporocytophaga myxococcoides and Cytophaga hutchinsonii are species belonging to the phylum Bacteroidetes are capable of efficient cellulose degradation. However, both organisms do not utilize any of the known cellulose degradation systems. Therefore, we will try to elucidate this potentially novel

cellulolytic system by utilizing proteomics and transcriptomics to analyse the expression of cellulolytic proteins along with their localization within the cells. Further, we will be able to analyse the proteins obtained in the omics analysis to obtain complete biochemical and physiological characteristics of the proteins involved leading ultimately to the evaluation of their potential as additives or replacements for current pre-treatments.

References.

McBride, M. J., Liu, W., Lu, X., Zhu, Y., & Zhang, W. (2014). The Family Cytophagaceae. In The Prokaryotes (pp. 577–593). Berlin, Heidelberg: Springer Berlin Heidelberg.

Stanier, R. Y. (1942). THE CYTOPHAGA GROUP: A CONTRIBUTION TO THE BIOLOGY OF MYXOBACTERIA. Bacteriological Reviews, 6(3), 143–96.

Figure. 1 Overview of the methods used in protein

discovery and characterization

Poster 80

Characterization of three putative Glucuronoyl Esterases from a Solibacter species

Jenny Arnling Bååth, Scott Mazurkewich, Amanda Sörensen Ristinmaa, Lisbeth Olsson and Johan Larsbrink

Division of Industrial Biotechnology, Department of Biology and Biological Engineering, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden


Glucuronoyl esterases (GEs) are enzymes belonging to the carbohydrate esterase 15 (CE15) family and act on ester bonds between glucuronic acid residues in hemicelluloses and aromatic lignin moieties in the lignin-carbohydrate complexes (LCCs) present in lignocellulosic biomass [1]. Breaking the LC bonds is proposed to enhance efficient processing of plant biomass, and specific enzymatic cleavage of LC bonds would therefore be of great industrial interest. Several fungal GEs have been characterized and reported to act on ester bonds of glucuronic acid model substrates [2] and recently also on native LCC fractions [1]. However, studies on bacterial GEs are lacking, despite the larger number of putative bacterial GE sequences in the Carbohydrat-Active Enzymes database. Interestingly, some organisms encode two or more CE15 esterases, which raises questions on their potential differences in activity and substrate specificity. This work aims to characterize three putative GEs originating from a Solibacter bacterium, using both synthetic substrates and extracted LCC fractions from plant biomass. In addition to biochemical and kinetic experiments, growth studies on selected carbon sources will be performed to investigate the change and difference in transcription level of the three GEs. The results will significantly increase the knowledge on the diversity of bacterial GEs within one species but also in comparison to previously studied GEs. The findings will also lead to a greater understanding on how these enzymes could aid in processing of lignocellulosic biomass.

Figure. A glucuronic acid side group in xylan linked with an ester

bond to a lignin moiety, forming the lignin-carbohydrate

complexes.

References. [1] Arnling Bååth J, et. al. FEBS Lett. 2016;590(16):2611-2618. [2] d'Errico C, et. al. Biotechnol Bioeng. 2015;112(5):914-22.

Poster 81

Feruloyl esterases, effects of glycosylation on activity, stability and immobilizationitle

Cyrielle Bonzoma, Sun-Li Chonga, Silvia Hüttnera, Laura Lancub and Lisbeth Olssona

a Industrial Biotechnology Division, Biology and Biological engineering Department, Chalmers University of Technology, Kemivägen 10, Göteborg SE 41296, Sweden

bDuPont Industrial Biosciences, Nieuwe Kanaal 7S, 6709 PA, Wageningen, The Netherlands

[email protected]

Feruloyl esterases (FAE; EC 3.1.1.73) are a subclass of carboxylic ester hydrolases. They catalyze the hydrolysis of ester linkages in plant cell walls materials releasing ferulic acid and other hydroxycinnamic acids and therefore have been classified in the CAZy database [1] in the carbohydrate esterase (CE) family. Immobilization is a powerful tool to allow enzyme reuse and therefore decrease their cost in the overall process. Immobilization on solid carriers can be achieved by different approaches, one of them is by physical adsorption. This technique relies mainly on the surface charges of the support and enzyme. Mesoporous silica particles (MPS) are porous supports made of silica which pore size can be tuned from 2 to 50 nm depending on the synthesis conditions. Because they are negatively charged, silica particles allow for rapid enzyme immobilization by physical adsorption. Furthermore, the diameter of their pore size can be tuned to match the one of the enzyme used and greatly reduces leaching after immobilization.Depending on the production host of the enzyme, the glycosylation extent and/or pattern can vary from none in Escherichia coli to hyper-glycosylation in Pichia pastoris. Glycosylation has been shown to alter activity and stability of enzymes [2]. Our hypothesis was that glycosylation would influence the immobilization behavior of the studied FAE in MPS as well as its activity.

In this study, the same enzyme MtFae1a from the fungus Myceliophtora thermophila has been expressed in three different host organisms: E. coli, M. thermophila and P. pastoris to achieve different degrees of glycosylation. The proteins were then purified and biochemically characterized. Different behaviors were observed depending on the production host of the enzymes, for instance in terms of specific activity and temperature optima.

References.

Reference 1. B.L. Cantarel, P.M. Coutinho, C. Rancurel, T. Bernard, V. Lombard, B. Henrissat, The Carbohydrate-Active EnZymes database (CAZy): an expert resource for Glycogenomics, Nucleic Acids Res. 37 (2009) D233–238. doi:10.1093/nar/gkn663. Reference 2. A. Basso, P. Braiuca, S. Cantone, C. Ebert, P. Linda, P. Spizzo, P. Caimi, U. Hanefeld, G. Degrassi, L. Gardossi, In Silico Analysis of Enzyme Surface and Glycosylation Effect as a Tool for Efficient Covalent Immobilisation of CalB and PGA on Sepabeads®, Adv. Synth. Catal. 349 (2007) 877–886. doi:10.1002/adsc.200600337.

Poster 82

Massive directed evolution for industrially relevant microbes

Payam Ghiacia, Jonas Warringerb

aDepartment of Chemistry and Molecular Biology, University of Gothenburg, 40530, Göteborg


Evolution is a promiscuous process that has been harnessed to good extent by human beings to meet their needs in modern times. However, evolution experiments still suffer from: a limited scale, a vast evolution landscape and in some cases low biological feasibility. In this work we suggest an evolution pipeline to overcome some of the challenges in evolution practices for industrially relevant microbes. As a case study we addressed some of the challenges in industrial scale wine production. Wine production is hampered by poor adaptation of yeast to the nutritional content of grape musts. Some of the nitrogen and carbon compounds are often poorly catabolized by wine yeast. These compounds reduce wine quality, either directly or indirectly by allowing unwanted microorganisms to invade the must or wine and produce foul tasting or unhealthy byproducts. Moreover, due to consumer aversion against genetically modified organisms (GMO), efforts to enhance wine yeasts and alleviate the problem through synthetic biology approaches have had little impact.We have conducted directed laboratory evolution using an innovative and uniquely large scale approach named scan-o-matic. Genetic starting points were 50 of the commercially most important wine yeasts. Evolving populations were forced to optimize their utilization of targeted carbon and nitrogen sources over 200-500 generations of adaptation. Best results were achieved for tolerance to high sugar content (35%), simultaneous consumption of glucose and fructose and high gluthatione production. We consider the wine example as a proof of concept for a revolutionary approach in industrial evolution experiments.

Growth comparison of a parental strain and its mutant monitored on Scan-o-matic.

Poster 83

Modelling and Simulation of Bioprintability of Hydrogels Based on Nanocellulose/Alginate

Johan Göhla, Andreas Marka, Simon Ingelstena, Kajsa Markstedtbc, Caroline Damgaardbc, Karl Håkanssonbc, Paul Gatenholmbc and Fredrik Edelvika

a Fraunhofer-Chalmers Centre for Industrial Mathematics b Wallenberg Wood Science Center

c Biopolymer Technology, Department of Chemistry and Chemical Engineering Email: [email protected]

Prediction of shear forces and resulting grid structure during 3D-bioprinting is vital for cell viability and printability. The printing process depends strongly on both material properties, such as rheology, and printing properties, such as flow rate, distance between nozzle and plate, height between layers and printing speed. Hence, identification of which property that controls specific features of the printing is both time consuming and expensive, and the predictability is low. In this study, a CFD simulation tool, IPS IBOFlow®[1,2], is introduced, which enables predictability and controlled testing of individual parameters. Several hydrogels[3] composed of nanofibrillated cellulose and alginate are studied in the project. The rheology of the hydrogels is described by individually fitted PTT[4] based full stress rheology models, where the viscoelastic behaviour of the material is captured. Simulations and experiments of printed grid structures are compared to verify the predictability and study the influence of different printing properties.

References. [1] IPS IBOFlow®, www.iboflow.com [2] Mark, A. and van Wachem, B., Derivation and validation of a novel implicit second-order accurate immersed boundary method. Journal of Computational Physics, 2008. [3] Markstedt, K., et al., 3D Bioprinting Human Chondrocytes with Nanocellulose–Alginate Bioink for Cartilage Tissue Engineering Applications. Biomacromolecules, 2015. [4] Thien N.P., and Tanner R.I., A new constitutive equation derived from network theory, Journal of Non-Newtonian Fluid Mechanics, 4:353–365, 1977

Figure 1. 3D-bioprinting simulation of a grid, where the hydrogel velocity is visualized.

Figure 2. Simulated internal viscoelastic forces from the rheology model during second layer printing.

Poster 84

Microalgal biorefineries – Optimisation of pigment extraction from a recalcitrant strain

Zélie Jeannot, Joshua Mayers and Eva Albers

Division of Industrial Biotechnology, Department of Biology and Biological Engineering, Chalmers University of Technology, Göteborg


Microalgae represent a sustainable source of a great variety of bio-based products, including lipids, carbohydrates, proteins and pigments. High-value pigment (carotenoids) production from microalgal biomass is particularly promising due to their increasing market possibilities and the need to replace the traditional unsustainable extraction from terrestrial biomass or fossil fuel derived synthetic similies1.

This poster focuses on one specific strain, Chlorella salina, which is of particular interest due both to its very high growth rate and carotenoids content. But however promising as this strain is, it has also proven to be very recalcitrant to any type of extraction – chemical or mechanical, which makes pigments production a costly and energy intensive process. It is then clear that optimisation and improvements are required to make it both viable and sustainable.

We have tested different solvents, disruption methodology and reaction conditions in order to select the optimum settings to get the maximum amount of pigment using the minimum quantity of energy and solvents. Both ethanol and acetone were found to be the best solvents in terms of amount of pigment extracted and bead beating was selected as the best disruptive technique for this strain. The effect of starvation during the culture on pigment content was also investigated.

We consider these in a biorefinery concept, evaluating carbohydrates and protein content along with pigment content. These could later be used either as a bio-energy after fermentation or anaerobic digestion or as animal feed, allowing the recovery of the full value and energy of microalgal biomass2.

References. 1. Sun, Z., Li, T., Zhou, Z. G., & Jiang, Y. (2015). Microalgae as a Source of Lutein: Chemistry, Biosynthesis, and Carotenogenesis. In Microalgae Biotechnology (pp. 37-58). Springer International Publishing. 2. Brune, D. E., Lundquist, T. J., & Benemann, J. R. (2009). Microalgal biomass for greenhouse gas reductions: potential for replacement of fossil fuels and animal feeds. Journal of Environmental Engineering, 135(11), 1136-1144.

Poster 85

Design of a bio-based adipic acid microbial cell factory: the challenging choice of microbial host and metabolic pathway

Emma Karlssona, Lisbeth Olssona and Valeria Mapellib

aDept. of Biology and Biological Engineering, Chalmers University of Technology, Göteborg, Sweden

bSacco S.r.l., Cadorago (CO), Italy


Adipic acid is a six carbon- dicarboxylic acid used mainly as a building block in the nylon industry for the synthesis of nylon 6,6. According to the report (Bioenergy Task 42, Biorefinery) released by the International Energy Agency (IEA), adipic acid is the dicarboxylic acid derived from fossil raw materials with the highest annual production volumes. The aim of this study is to engineer a microbial host that would be able to convert sugars deriving from renewable bio-based materials, such as forest residues, into adipic acid. In this work, we present the metabolic pathway of our choice, using lysine as substrate. Furthermore, we show the results of a study aimed to define the tolerance to adipic acid of an array of potential microbial hosts, including three yeast species, the filamentous fungus Aspergillus niger and the bacterial species Escherichia coli and Corynebacterium glutamicum. The results of this study give crucial indications on the choice of the most suitable microbial host to be considered for the design of an adipic acid microbial cell factory.

Poster 86

Histology-Compatible MALDI Mass Spectrometry Based Imaging of Neuronal Lipids for Subsequent Immunofluorescent Staining

Ibrahim Kayaa,b, Wojciech Michnoa, Dimitri Brineta,b, Yasmine Iaconea, Kaj Blennowa, Henrik Zetterberga,c, and Jörg Hanrieder*a,c

aDepartment of Psychiatry and Neurochemistry, Sahlgrenska Academy at the University of Gothenburg, 431 80 Mölndal, Sweden

bDepartment of Chemistry and Molecular Biology, University of Gothenburg, 412 96 Gothenburg, Sweden

cDepartment of Molecular Neuroscience, UCL Institute of Neurology, University College London, London, WC1N 6BG, United Kingdom


Matrix-assisted laser desorption/ionization imaging mass spectrometry (MALDI-IMS) enables acquisition of spatial distribution maps for molecular species in neuroscience.1 We investigated histology compatibility of MALDI-IMS to image neuronal lipids in rodent brain tissue with subsequent immunofluorescent staining of histological features. This was achieved by sublimation of a low ionization energy matrix compound, 1,5-diaminonapthalene (1,5-DAN), minimizing the number of low-energy laser shots, diminishing thermal effects and mechanical stress created during nanosecond laser desorption/ionization processes on mice brain tissue. Furthermore, this methodology proved to be a powerful strategy for investigating β-amyloid (Aβ) plaque-associated neuronal lipids2 as exemplified by performing high-resolution MALDI-IMS with subsequent fluorescent amyloid staining in a transgenic mouse model of Alzheimer’s disease (tgSwe).

1-) Hanrieder, J.; Phan, N. T. N.; Kurczy, M. E.; Ewing, A. G. ACS Chem. Neurosci. 2013, 4, 666−679.

2-) Kaya, I.; Brinet, D.; Michno, W.; Syvanen, S.; Sehlin, D.; Zetterberg, H.; Blennow, K.; Hanrieder, J. ACS Chem. Neurosci. 2017, 695 8, 347−355.

Poster 87

Modelling and uncertainty assessment for Simultaneous Saccharification and Co-Fermentation (SSCF) processes

David Benjamin Nickel, Carl Johan Franzén

Industrial Biotechnology, Department of Biology and Biological Engineering, Chalmers University of Technology, Kemivägen 10, SE-41296 Gothenburg, Sweden


Industrial and economical feasible bioethanol production via simultaneous saccharification and co-fermentation (SSCF) from lignocellulosic raw materials requires tools to cope with process variation. Variation is introduced by batch-to-batch variation of raw material or enzyme composition and may have detrimental effects on product yields and the choice of process strategies. SSCF process models including the SSCF sub-processes of enzymatic hydrolysis and fermentation increase the understanding of underlying processes and allow for the optimization of the SSCF process. However, due to batch-to batch variations the models are only applicable in narrow limits. More important, limitations in measuring techniques caused by the nature of the substrate and the current model structures contribute to ill-posed parameter estimation problems resulting in large uncertainties about the parameter estimates.

Here we identify possible sources of uncertainty for SSCF processes and propose a general strategy to minimize this uncertainty, thus broadening the applicability of SSCF models. This allows for the expansion of model usage not only to describe and optimize SSCF processes, but to develop robust control strategies, most favourable as closed-loop controls. Consistent uncertainty reduction throughout all process stages will contribute to robust process designs and predictable ethanol yields from SSCF processes.

Poster 88

Genome Scale Modelling of Amino Acid Metabolism in Liver Cancer

Avlant Nilssona, Jurgen R. Haanstrab, Thijs Tinneveldb, Irina Titkovac, Joep Vanlierd, Jens Timmerd, Ursula Klingmüllerc, Frank J. Bruggemanb, Bas Teusinkb and Jens

Nielsena

aDepartment of Biology and Biological Engineering, Chalmers University of Technology, Göteborg, Sweden,

bSystems Bioinformatics, Vrije Universiteit Amsterdam, Amsterdam, the Netherlands, cDivision Systems Biology of Signal Transduction, German Cancer Research Center,

University of Heidelberg, Heidelberg, Germany, dInstitute of Physics, University of Freiburg, Freiburg, Germany

[email protected]

Aberrant growth is a defining trait of cancer cells and alterations in metabolism are common to accommodate high specific growth rates. The Warburg effect is a well-studied metabolic phenomenon in cancer cells, where glucose is anaerobically metabolized to lactate, even in the presence of oxygen. Metabolic modelling has previously shown that this may allow the cancer cell to bypass enzymatic limitations, to increase the glucose uptake rate and thereby the total energy production of the cell, despite a markedly lower ATP yield per glucose consumed.

The metabolic adaptations of amino acid metabolism are however less well studied, and may be affected in a similar way. Here we make use of a liver cancer cell line (HepG2) to study differences and similarities in amino acid metabolism under low, physiological and high glucose levels (0, 6 and 22 mM). Time resolved metabolite measurements are used to identify the specific exchange fluxes of a genome scale metabolic model (HMR 2.0) using flux balance analysis (FBA) with growth maximization as objective function.

Preliminary results point towards that limitations in the enzymes of the upper half of the TCA may cause lactate production from glutamine, glutaminolysis, and other amino acids. The excessive use of amino acids as energy source may be associated with the wasting of muscles tissues often seen in cancer, cachexia. Up to 20% of cancer related deaths can be attributed to cachexia, and identifying metabolic targets that reduce amino acid metabolism may therefore be of therapeutic interest.

Poster 89

Critical redox processes during enzymatic saccharification of plant biomass: Lytic polysaccharide monooxygenases at play

Ausra Peciulytea, Louise Samuelssona, Lisbeth Olssona and Katja S. Johansena,b

aDivision of Industrial Biotechnology, Chalmers University of Technology, Kemivägen 10, SE-412 96 Göteborg, Sweden

bDepartment of Geosciences and Natural Resource Management, University of Copenhagen, Rolighedsvej 23, 1958 Frb. C, Denmark


As a result of the increasing burden on the environment and the scarcity of natural resources, we need to find new ways of supplying a growing population with products for daily life. In a bio-based economy we want to produce bioplastics, biochemicals and biofuels from plant biomass (lignocellulose). One of the reasons why lignocellulose is interesting is that it could serve as an energy source for microorganisms, which could be used to produce many different products of interest. However, the source of energy in lignocellulose is not readily available. We need to use certain enzymes, known collectively as cellulases, which are produced by other microorganisms, such as bacteria and filamentous fungi, to degrade lignocellulose into glucose, which can serve as an energy source.

The recent discovery of enzymes termed lytic polysaccharide monooxygenases has led to a significant improvement in the efficiency of enzymatic hydrolysis and thus in the process of the production of biofuels. These enzymes are capable of breaking glycosidic bonds using oxidative mechanism which has not been known until recently.

In this project I am focused on addressing how the application of these redox-active enzymes can reach its full potential. More specifically, I am investigating redox processes of lignocellulosic biomass during enzymatic saccharification. I combined electrochemistry (cyclic voltammetry), gas chromatography and high performance liquid chromatography techniques to investigate the saccharification of lignocellulose process.

Poster 90

Engineering ammonia-lyases for lysine transformation: first steps to green production of adipic acid

Veronica Saez-Jimeneza, Matteo Lambruguib, Elena Papaleob, Lisbeth Olssona and Valeria Mapellia

aDivision of Industrial Biotechnology, Department of Biology and Biological Engineering, Chalmers University of Technology, Gothenburg Sweden

bComputational Biology Laboratory, Danish Cancer Society Research Center Email: [email protected]

Adipic acid is one of the most important dicarboxylic acid for commercial purposes, mainly used as building block for nylon polymers. The current chemical production process has serious consequences for the environment. Therefore, the implementation of a by a bio-based process using renewable feedstocks would be highly beneficial for the society and the environment. The construction of a microbial metabolic pathway to produce adipic acid using L-lysine as precursor is a potential alternative. The first step of the pathway converts L-lysine into 6-aminohex-2-enoic acid (6-AHEA) (Fig.1), however, no enzymes able to carry out this reaction have been disclosed yet. The main goal of the research is the generation a novel enzyme activity for this conversion.

Figure 1. Conversion of L-lysine into 6-aminohex-2-enoic acid as part as the metabolic pathway (not shown) for adipic acid production.

The enzymatic activity necessary to catalyze the required deamination is defined as ammonia-lyase. Histidine ammonia-lyase (HAL) and 3-methylaspartate-ammonia-lyase (MAL), enzymes acting on histidine and 3-methylaspartate, respectively, were selected to be engineered to catalyze the deamination of lysine. HAL from Pseudomonas putida and MAL from Clostridium tetanomorphum and Carboxydothermus hydrogenoformans were expressed in E.coli and purified. The capability of the enzymes to deaminate lysine was tested. No deamination activity was observed, while the inhibitory effect of L-lysine on HAL activity was shown. Computational structural biology methodologies were applied on MAL in order to design mutant enzyme variants potentially active on L-lysine. Following the results obtained, the residues C361, M389 and L384 were mutagenized. The mutant variants were produced and purified, and the activity on L-lysine tested by monitoring the production of 6-AHEA and the release of ammonia.

Lysine 6‐aminohex‐2‐enoic acid Adipic acid

NH4+

Ammonia Lyase

Poster 91

Less is More! Development of a Minimalized Lipid Metabolism strain of Saccharomyces cerevisiae

Paulo Gonçalves Teixeira* a,b, Raphael Ferreira* a,b, Verena Siewersa,b and Jens Nielsena,b

*Authors contributed equally aSystems and Synthetic Biology, Biology and Biological Engineering, Chalmers

University of Technology, Gothenburg, Sweden bNovo Nordisk Foundation Center for Biosustainability, Chalmers University of

Technology, Gothenburg, Sweden Email: [email protected]

Engineering Saccharomyces cerevisiae for production of fatty acids and other lipid forms in quantities required for industrial scale has been a challenging task undertaken by many researchers across the globe. These challenges commonly arise from the complexity of the metabolic networks involved, diversity of molecular lipid species and tight regulation mechanisms of these metabolites. These cellular control mechanisms hinder the development and engineering of efficient cell factories for industrial in-vivo production of sustainable fatty acid-derived chemicals.

In this work, we developed a yeast platform strain with a reduced lipid metabolism network. This was accomplished by deleting genes encoding the main enzymes for key metabolic nodes of non-essential processes. These deletions were selected based on previous successfully described strategies and aimed to impact not only metabolic fluxes, but also regulation circuits. The “minimalized lipid metabolism” (MLM) strain provides a simplified network for phospholipid and free fatty acid production with improved production capacities, which are further explored.

The work presented is a positive and remarkable development in engineering S. cerevisiae for fatty acid production and supplies a platform strain that can be built upon for further development. Through the study, new and relevant aspects in lipid metabolism and regulation were also shown, contributing to a deeper knowledge of this process.

MLM1.0. Minimalized Lipid Metabolism Saccharomyces cerevisiae for Free Fatty Acids production.

Poster 92

Bottlenecks in lignocellulosic ethanol production: xylose fermentation and cell propagation

Marlous van Dijk, Lisbeth Olsson 2

Industrial Biotechnology, Department of Biology and Biological Engineering, Chalmers University of Technology, Kemivägen 10, 41296, Gothenburg, Sweden


A remaining challenge for the development of economically feasible 2nd generation bio-ethanol is low xylose consumption rate and inhibitor tolerance of the utilized Saccharomyces cerevisiae strains. Yeast starter cultures produced for ethanol production in simultaneous saccharification and co-fermentation (SSCF) processes have to meet high, seemingly conflicting requirements. A high biomass yield during propagation is required to produce the high cell concentrations required for the harsh conditions in the proceeding fermentation. Inhibitor tolerance is essential for producing a highly viable starter culture as well as favorable fermentation kinetics. Short-term adaptation of yeast cultures during propagation has been shown to have a positive effect on pentose conversion as well as inhibitor tolerance [1, 2].

Here we propose a model propagation strategy for evaluating physiology of yeast cultures during propagation. This model propagation strategy will be implemented in a study comparing physiology of yeast cultures with and without exposure to lignocellulosic inhibitors during propagation to assess what molecular mechanisms underlie the short-term adaptation response phenotype. For industry, a better control of yeast properties during propagation will result in an improved and consistent performance of yeast starter cultures for SSCF purposes.

References. 1. Alkasrawi, M., et al., Influence of strain and cultivation procedure on the performance of

simultaneous saccharification and fermentation of steam pretreated spruce. Enzyme and Microbial Technology, 2006. 38(1): p. 279-286.

2. Nielsen, F., et al., Short-term adaptation during propagation improves the performance of xylose-fermenting Saccharomyces cerevisiae in simultaneous saccharification and co-fermentation. Biotechnol Biofuels, 2015. 8: p. 219.

Poster 93

In Situ 3D Bioprinting of Skin: From Proposal to Project

Ian Maitlanda, Paul Gatenholm

a a3D Bioprinting Center, BBV at Biotech Center, Gothenburg, Sweden [email protected]

To date, wound treatment remains the single largest cost for health care. The current standard solution (autologous split-thickness skin grafting) is not applicable to extensive skin injuries covering more than 50% of the total surface area of the skin. Additionally, the healing at the donor site can be slow and painful indicating a need for a new solution.

This project intends to develop a novel method of performing in situ 3D bioprinting by developing a new bioink called SkinInk, created from small autologous biopsies. The aim of this method is to provide an alternative to traditional skin grafting with three major advantages: First, magnify the expansion ratio compared to traditional grafting techniques. Second, reduce the healing time and pain at the donor site. Finally, customise SkinInk by adding growth factors from the patient to provide a suitable environment for improved wound healing.

This project will cover the process of developing SkinInk and 3D bioprinting the ink in wound models. The first part of the study aims to investigate how the tissue will react to mechanical processing and printing, where factors such as cell viability and proliferation will be considered. The last part of the study will be performed on human wound model explants, and the main focus will be determining the maximum expansion ratio of skin that can be obtained with this new method. Due to the use of mechanical harvesting techniques, this is a method which may be applied clinically in the near future.

Since conventional skin grafting is not applicable in a situation of extensive skin damage, this project aims to develop a new method that will perform in situ printing of SkinInk as an alternative. This new method strives to maximize the coverage of harvested skin while minimizing post-operative pain and save lives.

Poster 94

Discovery of ulvan-acting enzymes for green seaweed bio-refinery

Venkat Rao Konasania, and Eva Albersa

aAlgae Biotechnology Group, Industrial Biotechnology Division, Department of Biology and Biological Engineering, Chalmers University of Technology, Kemivagen

10, SE-41296 Gothenburg, Sweden Email: [email protected]

Members of green algae (Ulva spp.) are infamously known for causing algal blooms or green tides. Biomass of these green seaweeds, rich in carbohydrates (i.e. ulvan), proteins and other biomolecules, majorly left to decompose on the beaches. Under-utilization of this biomass can be attributed to lack of specific tools and methods for the successful conversion of available biomolecules to high-value products.

Ulvan is a water-soluble sulfated heteropolysaccharide mainly present in the genus Ulva of green algae. The major building blocks of ulvan are ulvanobiuronic acids which are repeating disaccharide units of rhamnose-3-sulfate linked to either glucuronic acid or iduronic acid. It is reported to exhibit antiviral, anti-coagulant, and immune-stimulating properties. Ulvan and its oligosaccharides also have potential applications in the food industry as anti-oxidants and as dietary fiber supplemets1; in agriculture, they are employed as plant growth promoting agents2, stimulants of plant defence3 and inducers of plant resistance4.

Despite being a good source of rare sugars and potential applications, ulvan is majorly underexploited. To fill this gap, and to provide value to this freely available biomass, we search for ulvan-acting enzymes to hydrolyze and/or modify ulvan. Full enzymatic hydrolysis of ulvan to its mono-sugars i.e. rhamnose, iduronic acid, and glucuronic acid requires enzymes such as ulvan lyase, β-glucuronyl hydrolase, and α-L-rhamnosidase. Our approach to finding these ulvan-acting enzymes involves bioprospecting the seaweed microflora, and mining of putative proteins. With the aid of these enzymatic tools, further methods will be developed for the breakdown of the Ulva biomass and sequential extraction of fine chemicals and other biomolecules.

References. 1. Wijesekara, I., Pangestuti, R. & Kim, S. K. Biological activities and potential health benefits of

sulfated polysaccharides derived from marine algae. Carbohydr. Polym. 84, 14–21 (2011). 2. Paulert, R. et al. Effects of sulfated polysaccharide and alcoholic extracts from green seaweed

Ulva fasciata on anthracnose severity and growth of common bean (Phaseolus vulgaris L.). J Plant Dis Prot. 116, 263–270 (2009).

3. Dumas, B. et al. Ulvan, a sulfated polysaccharide from green algae, activates plant immunity through the jasmonic acid signaling pathway. J. Biomed. Biotechnol. 2010, (2010).

4. Stadnik, M. J. & De Freitas, M. B. Algal polysaccharides as source of plant resistance inducers.

Trop. Plant Pathol. 39, 111–118 (2014).

Poster 95

Tolerance to adipic acid for future microbial cell factories: Candida viswanathii vs. Saccharomyces cerevisiae

Mariateresa Feronea, Emma Karlssonb, Valeria Mapellic and Lisbeth Olssonb

aDipartimento di Ingegneria Chimica, dei Materiali e della Produzione Industriale, Università degli Studi di Napoli Federico II, Napoli, Italy

bIndustrial biotechnology, Chalmers University of technology, Gothenburg, Sweden cSacco S.r.l., Cadorago (CO), Italy1


Adipic acid is an important bulk chemical mainly used as precursor for the production of nylon 6,6. Adipic acid is currently derived from non-renewable fossil raw material, but in recent years the interest for producing adipic acid from renewable resources has emerged. Some proof-of-concept of production from glucose has been shown in the bacteria Escherichia coli (1) and Thermobifida fusca (2); however, so far titers and yields are far from being economically sustainable for industrial production.

In a previous study, different microorganisms (including bacteria, yeast and filamentous fungi) were screened for their tolerance to adipic acid and hence their possibility to be industrial strain for adipic acid production (3). To become interesting for the industry, the microbial host should tolerate titers of adipic acid in the range of 50-100 g/L (4). Preferably, the producer should also tolerate low pH since this will decrease the downstream costs. However, at low pH adipic acid would be mainly in the protonated form, which is believed to diffuse through the cell membranes causing acid stress to the cell. Candida viswanathii was found to tolerate adipic acid up to 95 g/L, which was the highest concentration tested, at both pH 5 and pH 6. To investigate the reason of this high tolerance to adipic acid, controlled batch fermentations in presence of adipic acid were performed, comparing C. viswanathii and the laboratory work horse yeast Saccharomyces cerevisiae. The cultivation was performed in minimal media with glucose as the only carbon source at pH 5 and with different concentration of adipic acid.

References. 1. Kallscheuer N, Gätgens J, Lübcke M, Pietruszka J, Bott M, Polen T. Improved production of

adipate with Escherichia coli by reversal of β-oxidation. Appl Microbiol Biotechnol. Springer Berlin Heidelberg; 2016 Dec 8;1–12.

2. Deng Y, Mao Y. Production of adipic acid by the native-occurring pathway in Thermobifida fusca B6. J Appl Microbiol. 2015;119:1057–63.

3. Karlsson E, Mapelli V, Olsson L. Adipic acid tolerance screening for potential adipic acid production hosts. Microb Cell Fact. BioMed Central; 2017;16(1):20.

4. Warnecke T, Gill RT. Organic acid toxicity, tolerance, and production in Escherichia coli biorefining applications. Microb Cell Fact. 2005;4:25.

MOLECULAR BIOLOGY

Poster 96

High Throughput Identification of Chromosomal Determinants of Conjugative Efficiency in Escherichia coli

Hanna Alalam a,b, Fabrice E. Graf a,b, Martin Zackrisson a, Per Sunnerhagen a,b, Jonas Warringer a,b and Anne Farewell a,b

aDepartment of Chemistry and Molecular Biology, University of Gothenburg, 405 30 Gothenburg, Sweden.

bCentre for Antibiotic Resistance Research (CARe), University of Gothenburg, 405 30 Gothenburg, Sweden.


Horizontal gene transfer accelerates the spread of antibiotic resistance genes among bacteria within and between infected hosts, and likely also in the environment. Conjugation of plasmids is thought to be the predominant form of spreading (multi-)drug resistance through horizontal gene transfer. The chromosomal factors controlling the rate of antibiotics resistance transmission by conjugation, however, remain largely unknown. We aim to identify those hosts’ genetic factors with the ultimate aim to develop drugs that inhibit conjugation and thereby the spread of antibiotic resistance genes to use in combination therapy with antibiotics. We developed a massively parallelized system to accurately monitor conjugation of resistance plasmids in real time in E. coli. We screened the complete collection of E. coli deletion strains using the single gene knock-out strains as donors of a F'-plasmid carrying a tetracycline resistance gene and measured its transfer rate into recipient cells; Figure 1 shows a gradient of different magnitudes of effect that certain chromosomal gene deletions have on conjugation. We identified a subset of genes that are possibly inefficient in plasmid transfer, four of which were further confirmed by an independent assay. These chromosomal factors are prime targets for novel drug development initiatives aiming to delay conjugation and the spread of antibiotic resistance genes in combination therapy. We are currently repeating the screen with clinical and environmental resistance plasmids of different incompatibility groups to find common potential targets for therapeutic exploitation.

Figure 4-A phenotypic gradient showing the varying degrees of effect different mutants have on conjugation; lag time in the graph is predicted to correlate with mating efficiency with longer lags indicating poorer efficiency. The Y axis displays the relative population and the X axis displays the time in hours. Three representative replicates were used for the control and per phenotype.

Poster 97

Dynamic allocation of the yeast proteome

Johan Björkerotha & Jens Nielsena

aDepartment of Biology and Biological Engineering, Chalmers University of Technology, Gothenburg, Sweden


Being the work-horses of the cell, proteins are a huge factor in determining general physiology of cells. In cellular adaptation towards meeting changing environmental conditions, re-allocation of the proteome, through altered expression of individual proteins, is a crucial tool for continued survival and optimization of growth. However, due to cellular constraints, the proteome fraction of total cellular dry weight has a maximum abundance. Therefore, the amount of individual proteins is being balanced by the cell and is continuously interchanging. For metabolic engineering purposes, the yeast Saccharomyces cerevisiae is widely used as a production platform for several different products. For industrial applications, such yeast strains are grown in controlled cultivations were nutrition and environmental factors are defined and monitored. This poses a possibility for identifying potential proteins which might be expressed although being redundant, during such unchanging controlled cultivation conditions. Further on, for a certain industrial production strain, this would translate into an opportunity to tailor the yeast proteome in order to stop expression of non-utilized proteins. Such a decrease of the proteome constraint, without effecting overall cell performance, can lead to overall improved viability, due to the fact that a larger part of the proteome is available for re-allocation towards, for example, growth processes. For the study of dynamic proteome allocation, protein constraint genome-scale metabolic models can be used as a computational approach, complementing standard experimental methods. Through such simulations, modelling of protein usage at different conditions can be made and changes in expression of individual proteins can be tracked. With the goal of increasing cell performance, such methods are used in order to identify proteins of interest for metabolic engineering of yeast.

Poster 98

Strategies towards PROTAC-mediated Myc degradation

P.-St. Kuhn,a,b L. Green,a B. Louchez,b L. M. Nilsson,a J. Mårtensson,b and J. A. Nilssona

a Department of Surgery, Institute of Clinical Sciences, Sahlgrenska Cancer Center at the University of Gothenburg, Medicinaregatan 1G, 413 90 Göteborg, Sweden.

b

Department of Chemistry and Chemical Engineering, Division of Chemistry and

Biochemistry, Chalmers University of Technology, Kemivägen 10, 412 58 Göteborg, Sweden.

Email: [email protected] / [email protected]

In 2001, heterobifunctional molecules referred to as proteolysis targeting chimeras (PROTACs) were presented for the first time. [1] Since then, several groups have reported on the selective degradation of different proteins important in cancer biology in vitro as well as in vivo. [2–4] In general this approach is suitable to degrade every protein for which a specific small molecule ligand can be developed, and can become a platform that rivals kinase inhibitors or monoclonal antibodies.Within this project we investigated the degradation of the Myc protein, which is responsible for universal upregulation of gene expression and plays a pronounced role in cancer biology.

MYC inhibitorNH

ONH

NNH

O

O

O

O

Xn

X = C, O

Figure 1. Representative molecular structure of the presented potential myc-PROTACs.

A series of potential PROTACs has been established (Figure 1), which has shown promising preliminary biological data so far. For example, one myc-PROTAC showed a more than 20-fold higher potency against λ820 cells regarding cell viability compared to its parent Myc-inhibitor. Additional cell cycle studies revealed an increased population in G1 phase as well as more apoptotic cells for the PROTAC. The next goals are to establish structure-activity-relationships from cell as well as in vivo data to improve the properties of the first generation of potential Myc-PROTACs and finally obtain suitable drug candidates for further investigations

References. Reference 1. Sakamoto, K.M. et al., Proc. Natl Acad. Sci. 98 (15), 2001, 8554–8559. Reference 2. Winter, G.E. et al., Science 348, 2015, 1376–1381. Reference 3. D.P. Bondeson et al., Nature Chemical Biology, 2015, 11, 611–617. Reference 4. M. Toure and C.M. Crews, Angew. Chemie Int. Ed. 2016, 55, 1966–1973.

Poster 99

Determining the total octopamine content of the vesicles of Drosophila larvae varicosities

Anna Larssona, Soodabeh Majdia and Andrew Ewinga,b

aDepartmentofChemistryandMolecularBiology,UniversityofGothenburg,Kemivägen10,41296Gothenburg

bDepartmentofChemistryandChemicalEngineering,ChalmersUniversityofTechnology,Kemivägen10,41296Gothenburg


Plasticity is an important adaptive feature of neuronal cells. However, the process by which cells initiate this plasticity is not fully known. One potential piece of the puzzle can be found by looking into how cells release neurotransmitters. Research on the partial release of neurotransmitters from vesicles in cells indicates that this might contribute to one dimension of plasticity, allowing cells to modify the synaptic strength through adjusting the number of molecules that are released in individual exocytosis events. Investigations of PC12 cells comparing the total vesicular content with released content have revealed that approximately 60% of the loaded neurotransmitter molecules escape during an average exocytosis event1. The aim of this study is to determine whether partial release is also occurring in the complex system of the Drosophila larvae neuromuscular junction (NMJ). Individual exocytosis events for octopamine release have recently been measured in the Drosophila NMJ2 and the current focus is to quantify the total amount of octopamine in type II varicosity vesicles. Obtaining this information in situ despite temporal and spatial challenges was done using electrochemistry at nanotip electrodes. A flame-etched carbon fiber electrode can be as small as 100 nm in diameter at the tip and can thus be placed inside the Drosophila NMJ varicosity. The electrical field at the electrode tip causes vesicles to rupture stochastically after adsorption to the electrode tip and the octopamine content is detected and quantified by oxidation current. Initial results point to the presence of a large amount of neurotransmitter inside the vesicle and that only a small fraction (approximately 10%) is released during stimulation of the varicosity. References. 1. Li, X., Majdi, S., Dunevall, J., Fathali, H. & Ewing, A. G. Quantitative Measurement of Transmitters in

Individual Vesicles in the Cytoplasm of Single Cells with Nanotip Electrodes. Angew. Chemie - Int. Ed. 54, 11978–11982 (2015).

2. Majdi, S. et al. Electrochemical Measurements of Optogenetically Stimulated Quantal Amine Release from Single Nerve Cell Varicosities in Drosophila Larvae Angewandte. Angew. Chemie - Int. Ed. 54, 13609–13612 (2015).

Poster 100

Investigating differentiation of keratinocytes in vitro

Monika Malaka*, Hanna Thomsena, Kerryn Elliottb, David Gustafssonc, Johanna Deinumd, Christina Österlunde, and Marica B. Ericsona,f *

a Biomedical Photonics Group, Department of Chemistry and Molecular Biology, University of Gothenburg, Gothenburg, Sweden; b Department of Medical

Biochemistry and Cell Biology, University of Gothenburg, Gothenburg, Sweden; c

Emeriti Pharma AB, Mölndal, Sweden; d Traiectus AB, Mölndal, Sweden; e Oriflame AB, Stockholm Sweden; f Center for

Skin Research (SkinResQU), Gothenburg Sweden *E-mails: [email protected]; [email protected]

The human skin is a complex and multifunctional organ, providing a barrier between the outer environment and the human body. Pharmaceuticals can be applied to skin, providing either local topical, but also systemic transdermal drug delivery. Also cosmetics and personal care products are in direct contact with the skin. Assessment of functionality and safety of those products are required. Previously many tests have been conducted on animals; however due to ethical and economic concerns, non-animal testing methods are required to facilitate development of new improved products. Thanks to the improvement of cell culturing methods and engineering possibilities, in vitro skin models has been developed, reducing the need for animals testing.

The main focus of this master’s project has been to implement an in vitro skin model based on keratinocytes, i.e., the primary type of stratifying epithelial cells in epidermis. The goal has been to set up protocols to study the differentiation process in vivo using optical microscopy and biochemical analysis of keratin expression using qPCR. The key question has been to study how varying calcium concentration influences the cells morphology, viability, growth and stratification into epidermis in vitro. Cell cultures based on keratinocytes, both primary HEKn cells and immortalized HaCaT cells, have been exposed to varying Ca2+

concentration and grown both in monolayers and on polycarbonate filters to form 3D constructs.

The work so far has demonstrated possibility to control differentiation by varying Ca2+ concentration. The cells are found to stratify when cultured at the air-liquid interface. Work is in progress analyzing keratin-expression for the different stages of confluence. Ultimately the stratified skin model will be visualized in 3D using multiphoton laser scanning microscopy in order to establish a new approach for monitoring cytotoxicity, permeability and skin irritation in vitro.

Poster 101

Partners in Cancer? – Finding New Functions of the Copper Chaperone Atox1

Maria Matson Dzeboa, Stéphanie Blockhuysa and Pernilla Wittung-Stafshedea

aChalmers University of Technology, Biology and Biological Engineering, Chemical Biology, Kemivägen 10, 41296 Gothenburg, Sweden


Copper (Cu) is an important micronutrient, essential for structure and function of numerous proteins taking part in important biological processes. Free Cu ions are, however, toxic and are therefore cellular uptake and intracellular transport are performed by specialized proteins. Atox1 is a copper chaperone, transporting Cu ions from the membrane-bound Cu importer Ctr1, through the cytoplasm, to the ATPases ATP7A/B located in the trans-Golgi network, where many proteins are loaded with Cu. Interestingly, both the cellular Cu concentration and the expression level of Atox11 is higher in many types of cancer compared the physiological state. In addition to its cytoplasmic localization, Atox1 has been found in the cell nucleus,2 indicating that other functions of the protein is likely. So far only a few studies have reported alternative roles for Atox1, all describing a transcription factor activity of the protein. In order to further investigate the functions of Atox1, our group recently applied a yeast two-hybrid (Y2H) screen3 to identify new possible interaction partners in vitro. 14 new proteins were found, of which some are localized in the nucleus and some are known to be cancer related. In addition, our group has shown that Atox1 is important for cell mobility of breast cancer cells.4 Our present research is focused on confirming the interactions found in the Y2H screen in cells and to investigate the potential role of Atox1 in cancer.

Figure. Secondary structure of Atox1, a chaperone transporting intracellular Cu ions.

References. 1. Blockhuys, S. et al., Metallomics, 2017, 9, 112 2. Hamza, I. et al., PNAS, 1999, 96, 13363 3. Öhrvik, H., Wittung-Stafshede, P., Int. J. Mol. Sci., 2015, 16, 16728 4. Blockhys, S., Wittung-Stafshede, P., Biochem Biophys Res Commun, 2017, 483, 301

Poster 102

THz induced anisotropy in bovine trypsin

Viktor Ahlberg Gagnéra, Hassan Bassereha, Ida Lundholma, Maria-José Garcia-Bonetea, Vitali Zhaunerchykb, Gleb Bourenkovb, Thomas Schneiderc, Gergely

Katonaa aDepartment of Chemistry and Molecular Biology, The University of Gothenburg,

Gothenburg, Sweden bDepartmet of Physics, The University of Gothenburg, Gothenburg, Sweden

cEMBL c/o DESY, Hamburg


The use of non-ionizing Terahertz (THz) radiation in technology is a new growing field. New medthods utilise THz radiation in for instance security screening at airports, and in medical treatment and diagnostics [1]. In contrast to already established diagnostics methods, the THz radiation can for instance screen patients with higher contrast compared to x-rays [2], and has higher resolution compared to for instance MRI and ultrasound [3]. Albeit non-ionizing, a study have shown that THz radiation might still induce changes biomolecules due to collective oscillations [4]. In addition, a new report from the National Toxicology program states that non-ionizing radio waves from cell phones might have a cancerous effect [5]. Therefore, it is imperative to study this protein interaction, not only for the sake of potential adverse effects biological systems, but also for the new insight this information provide to protein - light interactions. In this study, the crystal structure of bovine trypsin was obtained via a so called time-resolved x-ray crystallography experiment. Here, the proteins were excited with 0.5 THz radiation, for 25 ms, and subsequently studied with 14 KeV x-rays for 3 ms, in a 50 % duty cycle (no THz radiation at half of the readout). This high resolution data (1.15 Å) show the structural anisotropy in individual atoms, represented by for instance the calculation of individual B-factors, and how the anisotropy might be altered by the THz radiation. This study also provides a good platform for developing statistical tools, to detect and validate structural differences.

References.

[1] Wilmink GJ, Grundt JE. Current State of Research on Biological Effects of Terahertz Radiation. J Infrared Milli Terahz Waves. 2011;32:1074–1122 [2] Sun Y, Sy MY, Wang YX, Ahuja AT, Zhang YT, Pickwell-Macpherson E. A promising diagnostic method: Terahertz pulsed imaging and spectroscopy. World J Radiol. 2011 Mar 28;3(3):55-65. [3] Hao Yu, Yang Shang. Design of CMOS Millimeter-Wave and Terahertz Integrated Circuits with Metamaterials. Boca Raton: CRC Press; 2016 [4] Lundholm, IV et al. Terahertz radiation induces non-thermal structural changes associated with Fröhlich condensation in a protein crystal. Structural Dynamics. 2015;2(5),054702

Poster 103

Lipid chemical properties strongly affect the membrane interaction and aggregation mechanism of alpha-synuclein protein

Sandra Rocha, Jūris Kiškis, Pernilla Wittung-Stafshede

Division of Chemical Biology, Department of Biology and Biological Engineering, Chalmers University of Technology, 412 96, Gothenburg, Sweden


Alpha-synuclein (α-Syn) is a 140 amino-acid protein whose aggregation has been linked to Parkinson’s disease. Fibrillar forms of α-Syn are the major components of Lewy bodies and Lewy neuritis, the pathological hallmarks of the disease. α-Syn was initially identified in the nucleus of neurons and in the presynaptic nerve terminal in the vicinity of synaptic vesicles. The protein has been shown to interact with membranes both in vitro and in vivo. Upon binding to negatively charged vesicles, α-Syn undergoes a transition from unordered to partially α-helical structure. Using circular dichroism spectroscopy, thioflavin T fluorescence and atomic force microscopy, we studied the binding of α-Syn to negatively charged vesicles made up of 1,2-dioleoyl-sn-glycero-3-phospho-L-serine (DOPS) or 1,2-dioleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (DOPG). We observed that, in order to induce the same α-helix content in α-Syn, higher lipid:protein (L:P) ratios are needed in the case of DOPS as compared to DOPG. At low L:P ratios, when part of the protein molecules is bound to the vesicles and part is free in solution, α-Syn forms amyloid fibrils at a faster rate for DOPG than for DOPS. We discovered also that the aggregation mechanism depends on the homogeneity of the starting protein sample. When only protein monomers are present, the vesicles stimulate α-Syn primary nucleation. However, if in addition to monomers a small fraction of oligomers is present, elongation of fibrils dominates the aggregation reaction. This study reveals a key role of the lipid head group for the interaction of α-Syn with membranes and demonstrates that the presence of oligomers can influence the mechanism of the membrane-induced aggregation of the protein.

References. 1. Kiškis J, Horvath I, Wittung-Stafshede P, Rocha S. Unraveling amyloid formation paths of Parkinson's disease protein α-synuclein triggered by anionic vesicles, Quarterly Reviews of Biophysics 50 (2017) e3

Poster 104

Predicting gene expression levels from transcription factor binding events through machine learning

Christoph S Boerlin, David Bergenholm, Petter Holland and Jens Nielsen

ChalmersUniversityofTechnology,DepartmentofBiologyandBiologicalEngineering,DivisionofSystemsandSynthetic

BiologyEmail: [email protected]

Binding of transcription factors (TFs) to gene promoter regions is one of the main drivers of gene regulation, but the exact mechanism and effects are not well understood. As regulation of gene expression is one of the major determinants of cellular phenotype a deeper knowledge of gene regulation is important for understanding cellular behavior and improved metabolic engineering strategies. Many TFs are only active in certain conditions and some TF binding events show no apparent effect on gene expression, making the effects difficult to decipher and to understand. Using the recently developed ChIP-exo method one can identify the binding sites and strengths for a TF with a higher resolution and with less background than previously possible.

Machine learning approaches have been used in many applications to decipher patterns in large datasets, like speech recognition or predicting cancer treatment outcomes. The large datasets generated by ChIP-exo could also provide a strong basis for a machine learning model linking TF binding events to RNA expression levels. The successful construction of an expression-predictor should then provide valuable insight into the complex interplay of different TFs binding to the same promoter.

In our project we collected ChIP-exo data from Saccharomyces cerevisiae for a number of different TFs in four different metabolic conditions. Using the machine learning method Random Forests we are generating a gene expression predictor that can then be used to reliably predict expression levels for altered promoters in metabolic engineering projects.

Poster 105

A stretched conformation of DNA with a biological role?

N. Bosaeusa, A. Reymerb, T. Beke-Somfaic, T. Brownd, M. Takahashie, P. Wittung-Stafshedea, S. Rochaa and B. Nordénf

aBiology and Biological Engineering, Chalmers University of Technology bDepartment of Chemistry and Molecular Biology, Gothenburg University

cInst. of Materials and Environmental Chemistry, Hungarian Academy of Sciences dDepartment of Chemistry, University of Oxford

eSchool of Bioscience and Biotechnology, Tokyo Institute of Technology fChemistry and Chemical Engineering, Chalmers University of Technology


We have discovered a well-defined extended conformation of double-stranded DNA, using laser-tweezers force-spectroscopy experiments. At a transition force corresponding to free energy change ΔG = +1.57 ± 0.12 kcal (mol base- pair)-1 60 or 122 base-pair long synthetic GC-rich sequences, undergo a sharp transition to the extending the DNA by 52 ± 4 %, when pulled by the 3’-3’ strands. Intriguingly, the same degree of extension is also found in DNA complexes with recombinase proteins such as bacterial RecA and eukaryotic Rad51. Despite vital importance to all biological organisms for survival, genome maintenance and evolution, and many years of intense research, the recombination reaction is not yet understood at atomic level. We propose that the structural distortion represented by, which is thus physically inherent to the nucleic acid, is related to how recombination proteins mediate recognition of sequence homology and execute strand exchange. Our hypothesis is that a homogeneously stretched DNA undergoes a “disproportionation” into an inhomogeneous form consisting of triplets of locally B-like perpendicularly-stacked bases. This structure may ensure improved fidelity of base pair recognition and promote rejection in case of mismatch during homologous recombination reaction. Because a triplet is the length of a gene codon, we further speculate that the structural physics of nucleic acids (DNA and most likely RNA too) may have biased the evolution of recombinase proteins to exploit triplet base stacks and the genetic code.

Poster 106

Cross‐talkbetweenamyloidogenicproteinsintype‐2diabetesandParkinson'sdisease.

Istvan Horvath and Pernilla Wittung-Stafshede

Division of Chemical Biology, Department of Biology and Bioengineering, Chalmers University of Technology


In type-2 diabetes (T2D) and Parkinson's disease (PD), polypeptide assembly into amyloid fibers plays central roles: in PD, α-synuclein (aS) forms amyloids and in T2D, amylin [islet amyloid polypeptide (IAPP)] forms amyloids. Using a combination of biophysical methods in vitro we have investigated whether aS, IAPP, and unprocessed IAPP, pro-IAPP, polypeptides can cross-react. Whereas IAPP forms amyloids within minutes, aS takes many hours to assemble into amyloids and pro-IAPP aggregates even slower under the same conditions. We discovered that preformed amyloids of pro-IAPP inhibit, whereas IAPP amyloids promote, aS amyloid formation. Amyloids of aS promote pro-IAPP amyloid formation, whereas they inhibit IAPP amyloid formation. In contrast, mixing of IAPP and aS monomers results in coaggregation that is faster than either protein alone; moreover, pro-IAPP can incorporate aS monomers into its amyloid fibers. From this intricate network of cross-reactivity, it is clear that the presence of IAPP can accelerate aS amyloid formation. This observation may explain why T2D patients are susceptible to developing PD.1

References. [1] Horvath, I., and Wittung-Stafshede, P. (2016) Cross-talk between amyloidogenic proteins in type-2 diabetes

and Parkinson's disease, Proc Natl Acad Sci U S A 113, 12473-12477.

HEALTH, NUTRITION AND FOOD SCIENCE

Poster 107

Isolation and Identification of Lactic Acid Bacteria from Swedish Grain Legumes Phaseolus vulgaris and Pisum sativum

Cecilia Mayer Labbaa, Thomas Andlida

aFood and Nutrition Science, Dept. of Biology and Biological Engineering, Chalmers Email: [email protected]

Background: Development of palatable and nutritious food items with a low environmental impact is an important measure in reducing the food industry’s climate footprint. Dairy products are one of the most resource demanding group of foods, where fermented grain legumes can serve as an alternative. However, there is a need to develop new and optimized starter cultures aimed for this raw material. Lactic acid bacteria (LAB) naturally inhabiting grain legumes are adapted to metabolism of complex carbohydrates found in beans and lentils. These LAB are potentially suitable in new starter cultures aimed for plant based material and alternatives to fermented dairy products.

Aim: The aim of this study was to isolate and differentiate between different strains of LAB that naturally inhabit a diversity of Swedish grain legumes.

Methods: 23 samples of grain legumes were collected on Öland, Sweden. Isolated colonies that survived anaerobic incubation and were oxidase negative, catalase negative and gram positive were selected as putative LAB. Strain diversity were assessed by REP-PCR using (GTG)5 primer. Banding profiles obtained from electrophoresed REP-PCR products were analyzed using BioNumerics software to generate a dendrogram using Pearson correlation.

Results: 191 isolates of presumed LAB were isolated from the grain legumes, from which 58 distinctive fingerprint patterns were found.

Conclusion: 58 unique fingerprints were found from the isolated LAB, which can be assumed to belong to different strains potentially valuable for the food industry. Further work includes identification of these individual strains using 16S sequencing and screening for nutritional and sensory characteristics following fermentation of grain legumes.

Poster 108

Fermented Rye Bran Reduce Low Density Lipoprotein Cholesterol and C-reactive protein – human intervention study in Shanghai.

Kia Nöhr Iversena, Xue Kunb, Anders Johanssonc, Tayi Jinb, Göran Hallmansc, Per Åmand, Yuwei Liub, Gengsheng Heb and Rikard Landberga

a Department of Biology and Biological engineering, Food and Nutrition Science, Chalmers University of Technology, Gothenburg Sweden

b Department of Nutrition and Food Hygiene, School of Public Health, Fudan University, Shanghai China

c Department of Public Health and Clinical Medicine, Nutritional Research, Umeå University, Umeå Sweden

d Department of Molecular Sciences, Swedish University of Agricultural Sciences, Uppsala Sweden


Background: Consumption of cereal fiber has been associated with reduced risk of cardiovascular disease and some interventions have confirmed this. While it has been suggested that rye could be superior to other types of cereals in terms of improving metabolic profile, few long term interventions focusing on rye have been conducted.

Objective: Investigate the potential of fermented rye bran to improve metabolic profile, as a secondary outcome, in a Chinese population with a low habitual consumption of cereal fiber and rye.

Method: 182 men and women were randomized to consume cereal products containing fermented rye bran (FRB) or refined wheat (RW) for a period of 12 weeks. Fasting blood samples, for analysis of blood lipids and inflammatory markers, were collected at baseline and after 6 and 12 weeks of intervention.

Results: After 12 weeks of intervention low density lipoprotein cholesterol (LDL) was 7% lower in subjects consuming FRB, compared to subjects consuming RW (mean: 2.79 vs. 3.01 mmol/l, p<0.01). Among subjects consuming FRB high sensitivity C-reactive protein (hs-CRP) was 27% lower after 12 weeks, compared with subjects consuming RW (geometric mean: 0.093 vs. 0.067 mg/dl, p<0,01). For both LDL and hs-CRP differences were indicated after 6 weeks of intervention, though not significant at this stage (p<0.08).

Conclusion: This study shows that rye products enriched with fermented rye bran reduce LDL cholesterol to a similar extent as observed for the well-established cholesterol lowering oat β-glucan. Together with the reduction in low grade inflammation these results highlights the potential health effect of rye based cereal products and encourages the consumption of high fiber rye at the expense of refined wheat.

Poster 109

Plasma metabolites associated with type 2 diabetes in a Swedish population - a nested case-control study

Lin Shi a, Carl Brunius a, Marko Lehtonen b,c, Seppo Auriola b,c, Ingvar A. Bergdahl d, Olov Rolandsson d, Kati Hanhineva c,e, Rikard Landberg a,b,f

aDepartment of Chemistry and Biological Engineering, Chalmers University of Technology,Sweden; bSchool of Pharmacy, University of Eastern Finland, Finland; cLC-MS Metabolomics Center, Kuopio, Finland; dDepartment of Public Health and

Clinical Medicine, Umeå University, Sweden; eInstitute of Public Health and Clinical Nutrition, University of Eastern Finland, Finland; fUnit of Nutritional Epidemiology,

Institute of Environmental Medicine, Karolinska Institute, Sweden Email: [email protected]

The discovery of early metabolic alterations of type 2 diabetes (T2D) may provide novel insight into the pathophysiology of T2D and improve disease prediction (1). We established a nested case-control study within the Västerbotten Intervention Programme cohort (2) to discover plasma metabolites associated with risk of developing T2D. Using untargeted LCMS metabolomics, we analyzed plasma samples from 503 case-control pairs at baseline (median time of 7 years prior to T2D diagnosis) and investigated change of metabolites over time in 10-year follow up samples from 187 case-control pairs. A total of 46 discriminative metabolites between cases and controls at baseline were unbiasedly selected using a comprehensive data-analysis pipeline adapted for large-scale metabolomics. After adjusting for BMI, fasting glucose and lifestyle factors, a high concentration of diglycerides, a bile acid, branched-chain amino acids (BCAA) and their catabolic metabolites were associated with higher risk of T2D, whereas phosphocholines (PCs), N-Acetylglycine, and 2-hydroxyethanesulfonate were associated with lower risk. These metabolites correlated strongly with insulin resistance and/or beta cell dysfunction, suggesting specific roles in disease pathophysiology. Moreover, PCs containing odd-chain fatty acids, BCAAs and the bile acid had high long-term reproducibility among healthy controls, and their changes over time reflected disease progression in cases. Furthermore, we found that optimal utilization of predictive metabolites and traditional risk factors significantly improved T2D risk prediction. The results underscore the ability of single measurements of predictive metabolites to reveal pathophysiology and to improve risk prediction several years before onset of T2D.

References. 1. Scirica BM. Use of Biomarkers in Predicting the Onset, Monitoring the Progression, and Risk

Stratification for Patients with Type 2 Diabetes Mellitus. Clin Chem. 2017;63(1):186–95. 2. Norberg M, Wall S, Boman K, and Weinehall L. The Västerbotten Intervention Programme:

background, design and implications. Glob Health Action. 2010;3:1–15.

Poster 110

Developing food protein ingredients from Swedish fish filleting rest raw materials

Mehdi Abdollahi, Ingrid Undeland

Department of Biology and Biological Engineering – Food and Nutrition Science,

Chalmers University of Technology, SE 412 96 Gothenburg, Sweden

Presenting author: [email protected]

Fish filleting results in high amounts of rest raw materials, usually ~50% (w/w), which can be a source of food grade marine proteins. Currently, however, these rest raw materials mainly goes to fish or mink feed, or are even wasted. As part of the Swedish MareValue project, filleting by-products (head, backbone and tail) of salmon, cod and herring, as the most abundant seafood rest raw materials in Sweden were evaluated for developing protein ingredients using the pH-shift method; i.e. acid or alkaline protein solubilization followed by separation and isoelectric protein precipitation. Different combination of solubilization pH’s and process versions (acid and alkaline) were studied for each of the resources. Responses followed were protein yield and protein isolate composition. Results showed that the pH-shift process could successfully recover protein from all studied raw materials, despite their complex nature. Maximum yields with salmon, cod and herring were 75%, 60% and 65%. Recovered protein isolates contained 75-85% protein (DW%) and 2.5-3.5% ash compared with 40-50% protein and 12-30% ash for the crude rest raw materials. Good profiles of essential amino acids were obtained. With all studied resources, the alkaline process version resulted in higher protein yield compared with the acid process version. All recovered proteins had gel forming capacity and salmon produced the whitest gel while cod resulted gels with the best textural properties and best water holding capacity. However, increasing solubilization pH from 11.5 to 12.5 negatively affected the texture and whiteness of the gels made of all protein isolates. Also, freeze dried protein isolates (Figure 1) showed acceptable emulsion and foaming capacity especially when tested at high pH’s (>8). In conclusion, it is feasible to develop food protein ingredients from fish filleting rest raw materials of the studied species, (especially cod and salmon,) using the pH-shift process. However, more studies in real food products considering the sensorial properties of the final products are required to define the full potential of these ingredients.

Figure 1. Protein powders developed from rest raw materials of salmon, cod and herring using the pH-shift method.

Salmon Herring Cod

Poster 111

Dietary Protein Sources Beyond Proteins and Amino Acids - A Comparative Study of the Small Molecular Weight Components of

Meat and Fish using Metabolomics

Alastair Rossa, Andrew Vincenta, Otto I Savolainena, Ann-Sofie Sandberga, Ingrid Undelanda

aDivision of Food and Nutrition Science, Department of Biology and Biological Engineering, Chalmers University of Technology


Dietary protein sources are commonly only viewed in terms of their nutrient composition, and little attention paid to non-nutrient molecules present. Several recent studies have found that replacing meat with fish may lead to widespread metabolic effects in humans that may not be related only to differences in protein or fat content. To better understand if other components within meat and fish may be responsible, we used metabolomics to compare the small molecule composition of commonly consumed meat and fish. Fillets of beef, pork, chicken, cod, salmon and herring (fresh and pickled), n=6 per fish or meat type, were minced, mixed and either left raw, or baked to an internal temperature of 65 °C for meat or 55 °C for fish before freezing. The metabolite profile of the samples was measured using gas chromatography-mass spectrometry-based metabolomics. Metabolite profiles of fish and meat were compared, as well as the individual fish and meat types using multivariate and univariate statistical methods. Over 300 metabolites were detected and 128 metabolites identified in meat and fish samples. Counter to hypothesis, cooking had no overall effect on the metabolite profile of any of the protein sources measured. Surprisingly there was greater difference in metabolic profile within meat and fish, than between meat and fish in general, suggesting that when it comes to studying what role meat and fish play in the diet that the effect of different types of these protein sources should be accounted for.

Figure. PCA plot comparing chicken (dark blue), pork (light blue), beef (green), herring (yellow), cod

(red) and salmon (pink) metabolites determined by GC-MS. Note that the difference within fish and meat

samples is similar to that between meat and fish.

Poster 112

Isolation of proteins from Swedish seaweeds, Porphyra umbilicalis, Ulva lactuca and Saccharina latissima

Hanna Harryssona, Maria Hayes b, Friederike Eimer c, Ingrid Undelanda

aDepartment of Biology and Biological Engineering-Food and Nutrition Science, Chalmers University of Technology, Gothenburg, Sweden

bTeagasc Ashtown Food Research Centre, Ashtown, Dublin, Republic of Ireland cDepartment of Marine Sciences, The Lovén Centre Tjärnö, Strömstad, Sweden


There is an increased demand for vegetable proteins all over the world. Some seaweed species constitutes interesting raw materials. The protein concentration on a dry weight (dw) basis in the three Swedish seaweeds Porphyra umbilicalis, Ulva lactuca and Saccharina latissima used in this study is 32%, 20 % and 10 % respectively. However the though polysaccharide-rich cell wall and the abundance of polyphenols reduce the digestibility of the proteins. Further, total protein levels in most seaweed species are too low to directly use them as protein ingredients in feed and food. Therefore food grade, scalable and environmentally friendly techniques for isolating the proteins are desirable. The aim of this study, which is part of the Swedish Seafarm and Sweaweed projects, is to evaluate the difference in protein yield as well as protein content between protein isolates from Porphyra umbilicalis, Ulva lactuca and Saccharina latissimia produced in three different ways; (i) by solubilization in water and subsequent precipitation with ammonium sulfate, (ii) by the pH-shift method with alkaline protein solubilization followed by isoelectric precipitation and (iii) in a bio-refinery approach, were proteins are extracted after pre-removal of lipids and phlorotannins in a sequential manner. The highest total protein yield for Porphyra (26%) and Saccharina (25%) was achieved by using the pH-shift method. For Ulva the method using ammonium sulfate for precipitation of proteins gave the highest total protein yield (25%). However the total amount of proteins (analyzed as total amino acids) was highest for all three species in the isolates produced with the pH-shift technique and were ranked according to; Porphyra isolate, 71% protein (dw basis), Ulva isolate 51 % and Saccharina isolate 41%. The pH-shift technique is thus regarded a promising strategy for producing seaweed protein ingredients for food and feed; currently process improvements are under consideration to further increase e.g. the process yield.

Poster 113

Biomarkers of food intake and nutrient status are associated with glucose tolerance status and development of Type 2 diabetes

Otto Savolainena, Mads Vendelbo Lindb, Göran Bergströmc, Björn Fagerbergc, Ann-Sofie Sandberga and Alastair Rossa

aFood and Nutrition Science, Chalmers University of Technology bDepartment of Nutrition, Exercise and Sport, University of Copenhagen

CWallenberg Laboratory for Cardiovascular Research at the Center for Carfiovascular and Metabolic Research, Sahlgrenska Academy


Diet is frequently associated with both the development and prevention of type 2 diabetes (T2D) but there is a lack of objective tools for assessing the causal relationships between diet and T2D. Biomarkers of dietary intake could help strengthen the link between a healthy diet and prevention of diabetes. The objective of this study was to explore how diet is related to glucose tolerance status (GTS) and future development of T2D irrespective of metabolic syndrome (MetS) risk factors, using dietary biomarkers as an objective measure of dietary intake unconfounded by recall and reporting bias.

Dietary biomarkers were measured in plasma from 64-year old women with different glucose tolerance classifications (normal glucose tolerance; NGT (n=190), impaired glucose tolerance; IGT (n=209), and diabetes (n=230)), randomly selected from the population register in Gothenburg, Sweden. The same subjects were followed up after 5 years to determine changes in glucose tolerance (NGT (n=167), IGT (n=174) and diabetes (n=159)). Analysis of covariance (ANCOVA) adjusted for significant measures of MetS was used to explore baseline data for associations between dietary biomarkers, GTS and new T2D cases at follow up (n=69).

From the measured biomarkers a-tocopherol, alkylresorcinols C17 and C19 (markers of whole grain wheat and rye), b-alanine (meat), eicosapentaenoic acid (fish) and linoleic acid were associated with GTS and 3-carboxy-4-methyl-5- propyl-2-furanpropanoic acid (CMPF) (fish) and a-tocopherol with future development of T2D.

Several dietary biomarkers were strongly associated with GTS irrespective of MetS, underlining the role of diet in development and prevention of T2D. The use of multiple dietary biomarkers can provide a link with diet that is unencumbered by recall bias normally associated with dietary studies and allows examination of the role of diet even when dietary information is not available.

Poster 114

In Vivo Chondrogenesis in 3D Bioprinted Human Cell-laden Hydrogel Constructs

L Stridh Orrhulta, P Apelgrenb,c, M Amorosob,c, L Kölbyb,c and Paul Gatenholma,d

a3 D Bioprinting Centre, Department of Chemistry and Chemical Engineering, Chalmers University of Technology, Göteborg, Sweden

dWallenberg Wood Science Center bDepartment of Plastic Surgery, Sahlgrenska University Hospital, Göteborg, Sweden

cInstitute of Clinical Sciences, Sahlgrenska Academy, Gothenburg University Email: [email protected]

3D bioprinting technology allows creation of 3D constructs in a layer-by-layer fashion utilizing biologically relevant materials such as biopolymers and cells. The aim of this study has been to investigate the use of 3D bioprinting in a clinically relevant setting to evaluate the potential of this technique for in vivo chondrogenesis and thus repair of human cartilage.

Nude mice (Balb-C, female) received bioprinted cell-laden nanofibrillated cellulose/alginate construct in a subcutaneous pocket. Six groups of printed constructs were used: (1) human nasal chondrocytes (hNCs), (2) human bone marrow–derived mesenchymal stem cells (hBMSCs), (3) human adipose derived stem cells (hASC), (4) coculture of hNCs and hBMSCs in a 20/80 ratio, (5) coculture of hNCs and hASCs in a 20/80 ratio and (6) cell-free scaffolds (blank). After 30 and 60 days, the scaffolds were harvested for histological and immunohistochemical analysis. Preliminary data show an increase in proliferation of chondrocytes between 30 and 60 days and stem cells are enhancing the proliferative effect. hBMSCs show a better stimulative effect than hASCs.

Figure. From printer to tissue. Schematic showing the path from 3D bioprinter via preclinical studies to

future application (Illustration by Philip Krantz).

Poster 115

Oxidation of marine oils during in vitro digestion with human gastrointestinal juices –

role of oil origin, lipolytic action and added tocopherols

Tullberg, C.a, Vegarud, G.b and Undeland, I.a

aChalmers University of Technology bNorwegian University of Life Science


Marine long-chain n-3 polyunsaturated fatty acids (LC n-3 PUFA) have been

connected to beneficial effects on e.g. inflammatory diseases. However, LC n-3

PUFA containing oils are also highly susceptible to oxidation, which could reduce

their positive effects. In a few in vitro studies we have earlier shown that lipid

oxidation can take place in cod liver oil during digestion yielding highly reactive

aldehydes such as malondialdehyde (MDA), 4-hydroxy-2-hexenal (HHE) and 4-

hydroxy-2-nonenal (HNE) which are ascribed carcinogenic and DNA-reactive

properties. In this study we investigated the formation of reactive aldehydes

during in vitro digestion of different types of marine oils (from cod liver, whole

fish, algae and krill) using human GI juices. The role of lipases during the

digestion was additionally studied by adding rabbit gastric lipase (RGL) and

Orlistat, a pancreatic lipase inhibitor to the cod liver oil. Additions of tocopherols;

Covi-ox® T 70 EU, a mix of tocopherols, and α-tocopherol, were also studied

using the cod liver oil. The results showed that the highest aldehyde levels were

detected after digestion of non-fortified cod liver oil while the lowest aldehyde

levels were detected in digested krill and algae oils. RGL gave rise to higher

formation of reactive aldehydes than cod liver oil digested with only human GI

juices, while Orlistat lowered aldehyde levels in the intestinal phase. α-

Tocopherol, and Covi-ox® T 70 EU retarded oxidation compared to non-fortified

cod liver oil; the latter being more effective. The fact that reactive aldehydes were

formed after digestion of all oils/combinations, is important to keep in mind when

formulating products containing marine oils.

Poster 116

The effects of curcumin on humans: Metabolomics analysis of serum samples from a randomized, double blind, crossover

intervention trial with highly bioavailable curcumin

Wiebke Böttgera,b, Jan Frankb and Alastair Rossa

aChalmers University of Technology Department of Biology and Biological Engineering

Division of Food and Nutrition Science SE-412 96 Gothenburg

Sweden bUniversity of Hohenheim

Institute of Biological Chemistry and Nutritional Science D-70593 Stuttgart

Germany Email: [email protected]

Curcumin is a polyphenol from the rhizome of Curcuma longa. Besides the use as a food colourant and spice, curcumin was traditionally used for medical purposes, especially in Asian countries. Nowadays the use of curcumin is of great interest for its potential effects on health, including inflammatory and cardiovascular diseases and cancer. However, the reliable detection of the metabolic effects which underlie these potential effects on health remains elusive.

Metabolomics is a promising approach for the detection of holistic metabolic effects due to diet. We have used metabolomics to study the wider metabolic effects of curcumin.

In a human intervention trial carried out at the University of Hohenheim, 42 subjects took enhanced bioavailability curcumin supplements (294 mg/day) or a placebo for six weeks, followed by a second six week intervention with the other treatment with a four week wash-out period in between in a randomised double blind crossover design. Blood samples were taken at baseline and after three and six weeks of the intervention and control period. Curcumin plasma concentrations were significantly elevated due to the intervention whereas alterations of blood lipids, inflammatory markers and metabolites related to glucose and iron homeostasis were not observable. Metabolomics analysis on serum samples from the study were performed by GC-MS with statistical evaluation on both targeted and non-targeted data. Results on the effect of curcumin on systemic metabolism will be presented in the only study to date to have examined the effect of curcumin supplementation on the human metabolome.

Poster 117

Multivariate Modelling with Unbiased Variable Selection

Carl Bruniusa,b, Lin Shia,b and Rikard Landberga,b,c

aDepartment of Biology and Biological Engineering, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden

bDepartment of Molecular Sciences, Swedish University of Agricultural Sciences, SE-750 07 Uppsala, Sweden

cUnit of Nutritional Epidemiology, Institute of Environmental Medicine, Karolinska Institutet, SE-171 77 Stockholm, Sweden


Metabolomics and other ‘omics’ technologies in general result in high-dimensional data, which can be used e.g. for mechanistic investigations into pathophysiological processes or to discover biomarkers. To cope with the data structure, multivariate (MV) modelling is frequently used. However, the number of variables will normally far outweigh the number of observations and modelling thus requires reliable validation. Partial least squares analysis (PLS) and random forest (RF) are able to handle high-dimensional data with collinear variables and are widely applied for scientific MV computations. Nevertheless, these methods benefit from a compact data structure with non-redundant predictors in terms of decreased computation times, improved predictive performance, reduced likelihood of overfitting and simplified data interpretation. Variable selection is therefore an important step to obtain parsimonious MV models.

We have developed the MUVR algorithm, an approach for unbiased variable selection in which a nested cross-validation procedure, i.e. with an inner and outer cross-validation loop to separate data into training, validation and testing partitions to minimise overfitting, was extended to also tune the number of variables. Integrating variable selection with cross-validation provides simultaneous solutions to the problems of finding both the minimal solution with non-redundant data and all relevant features. MUVR allows for both PLS and RF core modelling and supports regression, classification and multilevel analyses. The algorithm was compared to several other variable selection techniques, both side-by-side and in combinations, with favourable outcome.

Figure. Graphical representation of the MUVR statistical validation framework for multivariate modelling

integrated with unbiased variable selection

TEST

TRAIN

PRED

OUTER SEGMENTS

TUNING OVER INNER SEGMENTS

OPTIMISED MODEL

PREDICTION OF OUTER SEGMENTSPRED PRED PRED PRED

REPEAT

Number of variablesModel parameters

VAL TRAIN

ORIGINAL DATA

Observations

Variables

Per outer segment

Poster 118

Data correction for pre-analytical sample handling in plasma metabolomics

Carl Bruniusa*, Anders Pedersenb, Daniel Malmodinb, B. Göran Karlssonb, Lars Anderssonc, Gunnel Tybringd, Rikard Landberga

aDept of Biology and Biological Engineering, Chalmers University of Technology, 412 96 Gothenburg, Sweden

bSwedish NMR Centre, University of Gothenburg, 405 30 Gothenburg, Sweden cDept of Laboratory Medicine, Karolinska Institutet, 171 77 Stockholm, Sweden

dDept of Medical Epidemiology and Biostatistics, Karolinska Institutet, 171 77 Stockholm, Sweden


Optimal sample handling for ‘omics’ and other analyses, regarding e.g. collection and processing of biological samples, is highly complex with many variables that could alter sample integrity. The situation is even more complex when using legacy samples with limited documentation on sample management. Novel means to understand and take into account such variability would enable higher-quality research on biobanked or otherwise archived samples.

We accurately predicted pre-centrifugation temperature and delay times using random forest modelling of the plasma metabolome, measured by NMR, and performance was validated on independent samples. Alterations in the metabolome were modeled separately at 4°C and at 22°C using a cluster-based approach, revealing reproducible effects of delay time on energy metabolism intermediates. Pre-analytical sample handling error correction resulted in significant improvement of data quality, particularly at 22°C. This approach offers the possibility to predict pre-centrifugation delay temperature and time in biobanked samples before use in costly downstream applications. Moreover, the results suggest potential to decrease the impact of undesired, delay-induced variability. However, validation in independent sample sets and with analytical techniques with broader coverage of the metabolome, such as LC-MS, is needed.

Figure. Upper: Modelling of two drift clusters containing features that have either decreased or increased intensities with pre-centrifugation delay time. Lower: The same clusters after drift correction show a significantly improved data quality.

Poster 119

3D Modelling of Facial Skin Surfaces for 3D printing

E. Ekberga, L. Kölbyb, E. Mårtensson Djäkenc, F. Kahla and P. Gatenholmd

aDepartment of Signals and Systems, Chalmers University of Technology cDepartment of Plastic Surgery, Sahlgrenska University Hospital

cInnovationsplattformen, Sahlgrenska University Hospital, Västra Götalandsregionen d3D Bioprinting Center, Department of Chemistry and Chemical Engineering,


One of the major global health problems today is burns, an injury to the skin that is usually caused by heat or radiation. For more severe burns the treatment is to use skin grafting, where a piece of skin is transplanted to the wounded area to aid the regeneration of the burn. The new skin graft is thereafter covered with a dressing or bandage to facilitate the healing and taking of the skin graft. However, a problem of these dressings occurs when it comes to complex areas with an irregular shape, such as concave surfaces of the face. Here it is preferable that the design of the dressing conforms to the skin surface to increase the probability of the proper healing. One way of solving this is to create a 3-Dimensional (3D) model of the wounded area of the patient, where the model can be used to create a patient specific bandage. The idea is to use the technique of 3D printing to manufacture the designed dressing. The aim in this project is to analyse the process of acquiring and converting images of facial skin surfaces into a 3D model using two different techniques of a digital camera and a 3D scanner. The project seeks to investigate what is required for the model to be 3D printed, and as a next step investigate what is required to also 3D bioprint the model.

Figure 1. The reconstruction process from a point cloud to a smoothed 3D reconstructed model.

Poster 120

Extruded snacks produced from bilberry press cake

Gabriel Barbosaa, Evelina Höglundb, Lovisa Eliassonb, Valérie Almlic, Nesli Sozerd and Marie Almingera

aChalmers University of Technology, Biology and Biological Engineering, Food and Nutrition Science, Göteborg, Sweden

bRISE Research Institutes of Sweden, Agrifood and Bioscience, Göteborg, Sweden cNOFIMA, Norway

dVTT Technical Research Centre of Finland Ltd, Finland


Introduction. In the juice industry, the press cake left after juice extraction may account for up to 20% of the initial weight of the berries or fruits. To increase the commercial value and reduce waste it is reasonable to process this side stream into value-added products. Blueberry press cake has been reported to contain >42% of phenolic compounds present in berries (1). The choice of processing methods and conditions affect the characteristics of fruit and vegetable products such as phytochemicals and textural properties (2). Therefore, the aim of the study was to evaluate the feasibility of different drying techniques, combined with extrusion, for converting berry by-products and cereals in value-added food products. Material and methods. Bilberry press cake was dried using Hot Air Drying (HAD) or Microwave Assisted hot air drying (MWD) to a residual moisture content of 18%. The dried material was milled into powder, with was subsequently added to a whole grain rye formulation and extruded into puffed extrudates using a twin screw extruder. Two levels of bilberry powder were added (10 and 25%), w/w). physical characteristics of bilberry powders were evaluated (moisture content, water activity, particle size distribution) and the extrudates were further evaluated regarding degree of expansion, density, texture and sensorial properties (un-trained panel). The retention of phenolic content was monitored throughout the whole process chain. Results and conclusions. Bilberry powder produced using HAD and MWD were similar in their characteristics but shorter drying time was needed for MWD than HAD (215 vs. 360 min). The large difference in processing time did not affect the retention of phenolic compounds. In the extrudates, the total phenolic content was highest with higher berry content as expected, and the MWD samples had a slightly higher content than HAD samples. Addition of 10% bilberry powder resulted in the highest degree of expansion and lowest crispiness index, and sensory evaluation indicated that 10% of bilberry powder addition resulted in the most favourable texture.

Financial support for this project is provided by funding bodies within the FP7 ERA-NET Core Organic Plus, and with cofunds from the European Commission.

References.

1. Lee J. Durst R. W., Wrolstad R. E. Impact of juice processing on Blueberry Anthocyanins and Polyphenolics: Comparison of two pre-treatments. Journal of Food Science 202, 67(5):1660-1666.

2. Van Buggenhout et al. Structural design of natural plant-based foods to promote nutritional quality. Trends in Food Sceince & Technology 2008, 24, 47-59.

Poster 121

3D Bioprinting of a human skin tissue model

Janni Sundén, Linnea Stridh Orrhult and Paul Gatenholm

3D Bioprinting center, Dept. of Chemistry and Chemical Engineering, Chalmers Email: [email protected]

Skin is the largest organ of the human body and the first barrier to outer environment, e.g. pathogens, environmental insults and mechanical impact. It also works as a prevention for loss of water from the body. In case of injury, for example burn wounds, the barrier is compromised and the body is more exposed to the damaging outer environment. For larger injuries, skin transplants might be needed. Autologous skin transplants are the golden standard in reconstructive surgery for skin. However, this causes additional pain and suffering for the patient. 3D bioprinting can be used for biofabrication of human skin grafts with autologous cells, avoiding unnecessary suffering for the patient. The printed skin can be transplanted with perfect fit to the patients wound, and thereby solve the problem with lack of skin for transplantation. 3D-bioprinted skin could also be of use for in vitro evaluations of drugs and cosmetics. In this study, we are focusing on the creation of a bioink based on fibrin, a native human protein active in the wound healing process, mixed with cellulose nanofibrils (CNFs). The bioink is used for creation of a 3D bioprinted human skin tissue model with primary human skin cells, in this case epidermal keratinocytes and dermal fibroblasts. The construct is characterized with responds to cell viability, cell morphology, collagen production and degradation of the fibrin network.

Figure. The biofabrication process of a skin tissue model. a) 3D bioprinting of a construct b) Construct after printing c) Tissue constructs during culturing d) Stretched fibroblasts, stained with actin green and DAPI, in a construct which has been cultured for 7 days, scale bar= 100 µm

a) b) c)

d)

Poster 122

Diagnosis of basal skin cancer by imaging lipids and metabolites using ToF-SIMS

Marwa Munema, Kelly Dimovska Nilssona, Oscar Zaar b, John Paoli b and John S. Fletchera

aUniversity of Gothenburg, Departement of Chemistry and Molecular Biology,

Gothenburg, Sweden, b Department of Dermatology and Venereology Sahlgrenska University hospital, Gothenburg, Sweden

Email: Marwa.munem@chem .gu.se

Time-of-fight secondary ion mass spectrometry (ToF-SIMS) is starting to be of increasing value to clinicians and has been used on a number of tissue samples to successfully identify and localise different chemical components to various areas of the tissue and answer disease related questions.[1] Compared to other methods, the main advantage of ToF-SIMS is the label free detection of a large number of different molecules within one experiment on the same tissue section. ToF-SIMS is coming closer to the MALDI regime but without the need of a matrix and with generally better spatial resolution.[2] ToF-SIMS is successfully used for analysing lipids behaviour in biological samples like breast cancer tissue.[3] Basal cell carcinoma is one of the most increasing cancers worldwide and it is the most common malignancy in white people. Although the mortality is low as basal cell carcinoma rarely metastasises, this malignancy causes considerable morbidity and places a huge burden on healthcare services worldwide. Furthermore, people who have this condition are at high risk of developing further basal cell carcinoma and other malignancies.[4]

Samples were collected from patients with basal cell carcinoma, by Mohs surgery. The tissue was sectioned for ToF-SIMS analysis and H&E staining of consecutive tissue slices was performed. ToF-SIMS was performed using an Ionoptika J105 instrument using a 40 keV (CO2)6000+ ion beam. The analysis provided detailed chemical information about the individual lipid species and the spatial distribution of these within the tissue. It was possible to observe differences between the layers of the skin as well as between healthy and cancerous tissue (see figure). It was essential to compare the observations of species to H&E stained images, to understand and confirm, from which structures or regions of the tissue that the individual signals were originated.

[1] Sjövall Peter, Björn Johansson et.al, TOF-SIMS analysis of adipose tissue from patients with chronic kidney disease, Volume 255, Issue 4, 15 December 2008, Pages 1177–1180 [2] T. B. Angerer, P. Blenkinsopp, J. S. Fletcher, Int. J. Mass Spectrom. 2015, 377, 591-598 [3] Angerer, T. B., et al. (2016). "Lipid Heterogeneity Resulting from Fatty Acid Processing in the Human Breast Cancer Microenvironment Identified by GCIB-ToF-SIMS Imaging." Analytical Chemistry 88(23): 11946-11954. [4]Wong, Strange, R., Lear J., British medical journal, London 327.7418 (Oct 2, 2003),749.

Poster 123

Analysis of avenanthramides in oat products

Angela Pridala, Alastair Rossa

aChalmers University of Technology Department of Biology and Biological Engineering

Division of Food and Nutrition Science SE-412 96 Gothenburg

Sweden Email: [email protected]

Avenanthramides are phenolic amides composed of different hydroxycinnamic and anthranilic acids, and are only found in oats. These compounds are produced as a response to pathogen exposure such as fungi and act as phytoalexins. Avenanthramides are effective antioxidants and may contribute to reduction of cardiovascular disease risk by preventing oxidation of cholesterol in low density lipoproteins. Avenanthramides have also been found to have an anti-inflammatory effect in humans which may play a role in the protective effect of oats on health. While there is great interest around their potential health effects, the intake of avenanthramides from dietary sources is poorly characterised. In order to better connect avenanthramide intake with health, it is crucial to quantify them in food products. Recently, the total avenanthramide content and the avenanthramide composition of a variety of raw oats have been determined, while there exist only very little data on processed oat products. Besides the oats variety, total avenanthramide content depends on the type of processing and storage conditions of the processed oat product. In this study the optimal conditions for the extraction and analysis of avenanthramides in oat products will be investigated, factoring in the effects of three variables (sample amount, evaporation procedure and solvent) on the yield of avenanthramides. Using high-performance liquid chromatography and validating the method we will determine the content of the three major avenanthramides in approximately 50 oat products.

Poster 124

Early dietary exposure is associated with allergy development in the FARMFLORA birth cohort

Karin Jonssona, Malin Barmana, Agnes Woldb and Ann-Sofie Sandberga

aFood and Nutrition Science, Dept. of Biology and Biological Engineering, Chalmers bClinical Bacteriology, Dept. of Infectious Diseases, Gothenburg University


Background: The allergy prevalence is markedly low in children growing up on farms. The FARMFLORA birth cohort was established to identify factors that may be part of the allergy protection of the farming environment.

Aim: To evaluate early dietary exposures of farm and control children in relation to allergy development, including: 1) maternal diet during pregnancy and lactation; 2) fatty acid composition of infant sera at birth and in sera and breast milk four months postpartum; 3) introduction practices of complementary foods; and 4) diet at one year of age.

Methods: Twenty-eight children from dairy farms in South-Western Sweden, and 37 non-farm control children from the same rural area were included in the cohort. The children were examined clinically by pediatricians to diagnose food allergy, eczema, asthma and rhinitis at three years of age.

Results: Farming mothers consumed more full-fat dairy and saturated fats during pregnancy and lactation than did control mothers, who instead consumed more margarines and oils, which was reflected in their breastmilk as higher proportions of saturated fat and lower proportions of polyunsaturated fat in the farm mothers. The same dietary pattern was found in the children’s diet at one year of age. One farm child (4%) and 10 control children (25%) were allergic by the age of three years. The intake of margarines, both by the mothers during pregnancy and lactation and by the children at one year of age, was weakly associated with allergy development. However, the most pronounced difference between healthy and subsequently allergic children was higher proportions of the long-chain omega-3 polyunsaturated fatty acid eicosapentaenoic acid in the children’s sera at four months of age and at birth, reflecting maternal oily fish intake during pregnancy and lactation. Concordantly, a pattern of earlier introduction of fish in the healthy children was observed, alongside higher intakes of oily fish at one year of age. Healthy children also tended to have flour and eggs introduced earlier.

Conclusion: A low margarine consumption by the mother and child was weakly associated with less allergy as well as with growing up on a farm. Consumption of oily fish in mothers during pregnancy and lactation as well as in the early diet of children was associated with a decreased risk of allergy development, although unrelated to farm residence. Late introduction of complementary foods were related to an increased risk of allergy development.

Poster 125

Identifying metabotypes for personalised nutrition in the Diet, Cancer and Health – Next Generations cohort

Agnetha L. Rostgaard-Hansena,b, Anne Tjønnelanda, Jytte Halkjæra, Carl Bruniusb and Rikard Landbergb

aDanish Cancer Society Research Center, Denmark bChalmers University of Technology, Sweden


Current dietary recommendations are population-based but there may be a conflict between population and individual perspectives. A more individualized diet may be more optimal for health and wellbeing (1). Foods and advices tailored for different types of metabolism, i.e. metabotypes may be an effective strategy to better motivate consumers to healthy eating. Factors such as genetic heritage, health status, level of physical activity, diet and microbiota determine the metabotypes (2). In order to investigate this hypothesis a sub-sample of 500 subjects from the Diet, Cancer and Health – Next Generations cohort (DCH-NG) will be re-invited to participate in two additional examinations at 6 and 12 months after baseline, stratified by gender, age and fasting status. Subjects will donate blood, urine, saliva and faeces samples. BMI, waist/hip circumference, blood pressure, fat and muscle mass will be measured and questionnaires about diet and lifestyle will be completed. By collecting repeated samples over a 12-month period 1) within-subject variation in biomarkers will be estimated, 2) changes in the metabolome will be assessed and related to reported changes in major dietary food groups and from analysed changes in gut microbiota and 3) metabotypes will be identified by combining gene-expression profiles, metabolomics, microbiota, diet and lifestyle data.

Figure. Determinants important for identification of metabotypes.

References. 1. Zeevi D, Korem T, Zmora N, Israeli D, Rothschild D, Weinberger A, et al. Personalized nutrition by prediction of glycemic responses. Cell. 2015;163 (5):1079-94 2. Holmes E, Wilson ID, Nicholson JK. Metabolic phenotyping in health and disease. Cell. 2008;134 (5):714-7.

Poster 126

Towards Celiac-safe foods: Proposing ascorbyl palmitate and ZnCl2 as inhibitors of

transglutaminase 2 interaction with gliadin

Niklas Engströma, Patricia Saenz-Méndezbc, Johan Scheersd and Nathalie Scheersa

aChalmers University of Technology, Department of Biology and Biological

Engineering, Food and Nutrition Science bUniversity of Gothenburg, Department of Chemistry and Molecular Biology

cUdelaR, Facultad de Química, Computational Chemistry and Biology Group,

Montevideo, Uruguay dChalmers University of Technology, Department of Physics


Transglutaminase 2 (TG2) plays a crucial role in the initiation of celiac disease by catalyzing the deamidation of gluten peptides. These deamidated peptides can initiate an immune response in celiacs, which leads to intestinal inflammation including a wide range of symptoms. Gluten is a mixture of storage proteins in wheat where gliadin and especially a small part of it, α2-gliadin, is the best substrate for TG2.

The aim of this study was to identify a compound that reduces the affinity of TG2 to gluten peptides. We performed computational docking studies of a database of food additives screened against an α2-gliadin model. Promising substances were then evaluated with ELISA based methods. Our results show that ascorbyl palmitate (E304) is a good candidate inhibitor of TG2 activity, and in combination with a TG2 activity inhibitor, ZnCl2, the inhibitory effect is further enhanced. This combination may have the potential to be used gluten detoxifier.

Figure. Top: Transglutaminase 2 (TG2) binds to specific parts of gluten peptides and subsequently catalyze a deamidation reaction, which leads to an immune response in celiacs. Bottom: A combination of ZnCl2, which inhibits TG2 activity, and ascorbyl palmitate, which in our simulations is able to bind to TG2 binding motives on gluten, could possibly be used for celiac-safe foods. Illustration by J. Scheers.

Reference: Engstrom et. al, Scientific Reports 2017, 7:77

Poster 127

The role of whole grain intake in low grade systemic inflammation

Nor Adila Mhd Omara, Huaxing Wub, Alicja Wolka and Rikard Landbergb,c

a Unit of Nutritional Epidemiology, IMM, Karolinska Institutet, Stockholm, Sweden. bDept. of Molecular Science, Uppsala Biocenter, Swedish University of Agricultural

Sciences (SLU), Uppsala, Sweden. cDept. of Biology and Biological Engineering, Food and Nutrition Science, Chalmers

University of Technology, Gothenburg, Sweden. Email: [email protected]

Background and aim: A high whole grain (WG) intake has been consistently inversely associated with different chronic diseases [1]. Only a small number of studies have investigated the role of WG intake on risk factors of these diseases, including low grade inflammation. The aims were therefore 1) to investigate the association between WG intake and inflammatory biomarkers in free-living subjects and 2) to evaluate the effect of WG intake on inflammatory and endothelial function biomarkers. Methods: 1) A cross-sectional study (n=258) from the Swedish Mammography Cohort (SMC) and Cohort of Swedish Men (COSM) was set up and WG intake was estimated by food frequency questionnaire (FFQ), and alkylresorcinols (AR), in plasma and adipose tissue. The total AR concentration in samples reflect total WG wheat and rye intake whereas the ratio of two homologues, C17:0/C21:0, reflect the type of grain consumed. Inflammatory biomarkers were analysed by immunoassays. WG intake exposure measurements were associated with inflammation and endothelial function biomarkers using correlation analysis and regression models, adjusting for sex and age. 2) A cross-over study with 17 men diagnosed with prostate cancer were provided WG/bran rye and refined wheat in random order for 6 week separated with a 2 week wash-out period. Selected biomarkers were analysed in plasma samples at baseline and after 2, 4 and 6 week. Results: 1) WG rye and wheat intake from FFQ and total AR and C17:0/C21:0 in plasma were inversely associated with cathepsin S (p<0.05) and endostatin (P-trend<0.05), respectively. 2) Concentrations of tumor nuclear factor receptor 2 (TNF-R2), endostatin and e-selectin were significantly lower after consumption of WG/bran rye compared with refined wheat (p<0.05) in men with prostate cancer. Conclusion: From the two studies it appears that WG rye is associated with/affects the concentration of certain inflammatory markers. References. 1. Vitaglione, P., et al., Whole-grain wheat consumption reduces inflammation in a randomized controlled trial on overweight and obese subjects with unhealthy dietary and lifestyle behaviors: role of polyphenols bound to cereal dietary fiber. The American journal of clinical nutrition, 2015. 101(2): p. 251-261.

INFRASTRUCTURE

Poster 128

Chalmers Mass Spectrometry Infrastructure

A Chalmers infrastructure serving the analytical needs of biology and chemistry researchers

Website: www.chalmers.se/cmsi E mail: [email protected]

The Chalmers Mass Spectrometry Infrastructure (CMSI) is a Chalmers infrastructure with the mission to provide an open analytical platform to provide researchers at Chalmers and beyond access to high quality mass spectrometry-based analyses. The CMSI has a wide range of mass spectrometers coupled to either liquid or gas chromatographs, as well as several HPLCs and GCs for routine analyses. These instruments are set up to measure different biological molecules, such as fatty, amino and organic acids as well as biomarkers of food intake and metabolomics. Experienced researchers can also set up their own methods, and if you have a specific analysis you want to run, we can discuss about setting this up. We also provide service analyses if you do not have time to run samples yourself. In addition a new analytical platform ´WhatsMyMass´ has been launched in 2017 expanding the services of CMSI to provide both unit and accurate mass measurements for researchers requiring compound ID.

During 2017 we are developing and expanding the CMSI’s metabolomics capabilities to include a high throughput metabolomics service based on a dual UHPLC-qTOF instrument setup. The new method will significantly increase the throughput of traditional metabolomics methods making the workflow amenable for large scale studies. In addition, a method for measurement of a large number of primary metabolites will be established enabling better examination of metabolism.

In addition to providing analytical services, the CMSI has both educational and research functions. We provide introductions into how to run our analytical equipment and will also run courses on method development and validation to spread the joy and satisfaction that analytical chemistry brings to researchers.

Curious to find out more? Visit our website (www.chalmers.se/cmsi) or get in touch by e mail ([email protected])

Poster 129

Chemical Imaging Infrastructure (CII)

Per Malmberg

aChemistry and Chemical Engineering, Chalmers University of Technology Email: [email protected]

The Chemical Imaging Infrastructure (CII) is a world-unique research infrastructure with a primary focus on high lateral resolution imaging mass spectrometry. The infrastructure offers access to the high performance Cameca NanoSIMS 50L for analytical questions within materials science, geoscience and life science. Internationally we have a world leading equipment base backed up by internationally recognised experts in the development and application of SIMS.

The NanoSIMS 50L in Gothenburg is the first of these instruments in Scandinavia. A nanoSIMS offers μg/g or better detection limits for most elements, essentially periodic table coverage, 50 nm imaging and depth profiling capabilities, and isotopic analyses of major and minor elements on a wide range of materials. The NanoSIMS is suitable for a wide variety of applications, for example, grain boundary analysis, characterization of stress corrosion cracking, sub-cellular drug/peptide imaging and nitrogen fixation studies in bacteria.

The infrastructure is open to all researchers in academia and industry. Selection of academic projects will be done by the local committee based upon feasibility and scientific excellence. For projects that are more extensive, potential users are encouraged to contact the facility to discuss viability, relevance and feasibility prior to applying. User fees will be applied; industry users pay full costs while academic users are subsidized.

CII is hosted by the Department of Chemistry and Chemical Engineering at Chalmers and by the Department of Chemistry and Molecular Biology at University of Gothenburg. Find more information about us on our website http://www.chalmers.se/chemicalimaging .

Poster 130

Chalmers Materials Analysis Laboratory

Stefan Gustafssona, Katarina Logga and Anders Kvista

aChalmers University of Technology, Department of Physics, 41296 Gothenburg, Sweden


Chalmers Materials Analysis Laboratory (CMAL) is a research and user facility providing basic and state-of-the-art instruments with relevance to materials science. The laboratory operates as a Chalmers research infrastructure and is open to all Chalmers researchers as well as to researchers from other academia and from industry. Today CMAL offers access to a number of instruments and analysis methods such as:

3 Scanning electron microscopes (SEM) 3 Transmission electron microscopes (TEM) 2 Focused ion-beam work stations A Small angle x-ray scattering (SAXS) instrument A Raman microscope A high-end spectrofluorometer A UV-Vis spectrophotometer An atom probe tomograph (APT) A surface plasmon resonance instrument (SPR). A combustional elemental analyzer

Several new instruments will be installed during 2017 including a FTIR microscope, a confocal laser scanning microscope (CLSM) and a new state-of-the-art TEM. It is our vision that the multitude of advanced and basic instruments, professional technical support staff and an excellent research environment will provide unique possibilities for conducting world-class materials research.

Poster 131

BioMS – a national infrastructure for proteomics and lipidomics

Lund University, Karolinska Institutet, Gothenburg University, Chalmers University of Technology

http://bioms.se/contact/

BioMS is a national infrastructure for biological mass spectrometry (MS) supported by the Swedish Research Council (Vetenskapsrådet) with co-financing by Gothenburg and Lund Universities, Karolinska Institutet, and Chalmers University of Technology. The aim of BioMS is to create a sustainable, cost-effective and strong national infrastructure that offers access to bioanalytical mass spectrometry and data analysis, mainly for proteomics and lipidomics. BioMS is being rolled out over two periods: 2016-2017 will focus on the areas of proteogenomics, targeted proteomics, glycoproteomics, structural proteomics, glycomics, chemical proteomics and data handling/bioinformatics. The second period (2018-2019) will add both shotgun and untargeted lipidomics. Specific methods include hydrogen-deuterium exchange-MS for protein folding and interaction studies, target binding site elucidation, mechanism of action studies for proteome effects, searching for protein variants, targeted protein quantitation, global identification and relative quantitation of glycopeptides, and clinical peptidomic analysis. BioMS will also organise geographically distributed educational programmes including a variety of courses, lectures and workshops from basic knowledge to advanced education. Detailed information and the project application forms can be found at www.bioms.se. Find out how you can make use of BioMS to bring new insights to your research!

science & technology day - chalmers

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