chen 7753 professor mikhail skliar october 1, 2013 michael noe science & engineering librarian...

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CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian [email protected] (preferred) 801-581-7747 Feel free to contact me for help. LIBRARY RESOURCES for CLASS ASSIGNMENT

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Page 1: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

CHEN 7753Professor Mikhail Skliar

October 1, 2013

Michael Noe Science & Engineering Librarian [email protected] (preferred)801-581-7747

Feel free to contact me for help.

LIBRARY RESOURCESfor

CLASS ASSIGNMENT

Page 2: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

Bibliographic Resourcesjournals, databases, conference proceedings, review

articles, patents, funding opportunities, grant proposals, books,

etc. See the Publication Timeline. Property Data Resources

databases, books, articles, government & private sources

Subject Guides Information & Library Resources on a broad range of topics

Chemical Engineering: http://campusguides.lib.utah.edu/cheme

INFORMATION RESOURCES

Page 3: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

Publication Timeline

Page 4: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

Chemical Engineering Research Guidehttp://campusguides.lib.utah.edu/cheme

Research GuidesProvide information access points

Databases

E-handbooks

Citing Works

Michael [email protected]

Page 5: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

Research Guides

Advanced Research in the SciencesAnnotated Bibliography GuideCanvas ResourceseBook Collections Usage GuideEndnote and Endnote Web SupportMendeleyOff-Campus Authentication Guide for Electronic ResourcesUsearchWriting Research Papers

Chemical Engineering Guide:http://campusguides.lib.utah.edu/cheme Database Alerts

Alerts: Keeping Current in Your DisciplineTechnical ReportsIndustry StandardsPatents, Trademarks & Copyright

BioengineeringChemistryElectrical & Computer EngineeringCivil & Environmental EngineeringComputingMaterials Science & EngineeringMathematicsMedicineMechanical EngineeringMetallurgical EngineeringPhysics

Page 6: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

DATABASES

Page 7: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

BASIC STEPS for SEARCHING DATABASES

1. List the concepts that must be a part of your query (the important concepts).

2. Create a list of alternate terms for each concept.

3. Enter the terms for each concept in a separate box or within parentheses.

4. Perform the first search without defining specific fields.

5. Look for some well focused records in your search results, mine these for terms. Your goal is to find the terminology used by researchers in your field of study!

6. Use additional terms or more general terms to broaden your search results. Use title- and subject-fields to begin narrowing your search results.

7. Try several combinations of search terms and field-limits to find the best articles.

8. Look at article bibliographies, identify prolific authors, follow citing articles as additional ways to find related articles.

Page 8: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

Recommended databases for ChemE from the

Chemical Engineering Research Guidehttp://campusguides.lib.utah.edu/cheme

SciFinder Scholar This is the best database for most chemical engineering investigations, providing insight to the chemistry, reaction dynamics and chemical transformations of substances. Chemical Engineering applications are examined. Also useful for finding Chemical Processes and Properties.

Compendex Engineering applications of chemical processes are best covered in this database. In-depth coverage of nearly all engineering research.

Scopus Excellent coverage of a broad range of science and engineering disciplines. Published by Elsevier.

Inspec Excellent coverage of physics as well as electrical engineering and its applications. Good coverage of computer control for engineering applications.

Medline Covers biomedical applications of chemical engineering.

Metadex Covers materials where metals are the primary constituent or act as an important component.

MathSci Net The best index to the scholarly Mathematics literature.

Web of Science Cited Reference searching is this database's main feature. Covers the most highly cited journals in each science & engineering discipline.

Business Source Premier Many current chemical engineering topics have related articles in business journals and business news. Use this database to gain a broader perspective.

Dissertations & Theses: Full Text Read in-depth literature reviews and discover research methods from Dissertations and Theses related to your subject.

Google Scholar Google Scholar has a broader view of 'scholarly' than does the academic community, so use some caution. Otherwise it is a major index that will provide access to full text articles owned by the library.

USPTO Search the US Patent and Trademark Office; it is the best source for finding non-public "cutting edge" science and technology. Most of this content is never reported in journals.

We will focus on this database today

Page 9: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

ACCESSING LIBRARY DATABASES

LIBRARY WEBPAGE:WWW.LIB.UTAH.EDU

IMPORTANTPULL-DOWNS

OFF-CAMPUSACCESS

Page 10: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

ACCESSING LIBRARY DATABASES

IMPORTANTPULL-DOWNS

Page 11: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

CHEMICAL ENGINEERING DATABASES

Page 12: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

SciFinderCompendex 1884-1969

Scopus 1970-present

InspecMedlineGoogle ScholarWeb of Knowledge

Databases for Chemical Engineering

ACS JournalsCeramic AbstractsC&EN News*ChemInfoChemNetBaseCorrosion AbstractsCRC Handbook of Chemistry & Physics*Dissertations & Theses: Full Text IOP JournalsKirk-Othmer Encyclopedia of Chemical Technology*Knovel*MSDSMathSciNetMerck Index*MetadexMethods in Organic Synthesis*NTISReagent Chemicals*RSC eJournalsScirus Science IndexToxlineTRC Thermodynamic TablesUSTPO Patent Database

Page 13: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

SCIFINDER1907 - PRESENT

Page 14: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

SciFinderCoverage: 1907 - PresentAccess: University of UtahPurchased By: Marriott LibraryMaximum Users: UnlimitedNOTE: You must register for a user account to use this database. Click here to register - note that for registration you must use your University of Utah email and be at a University computer. This database is licensed for use only by U of U faculty, students and staff conducting scholarly research. It is not to be used for commercial research. It is not available to library visitors or walk-in users, or those with guest NIDs. For questions about commercial use or any other SciFinder issues, please email Daureen Nesdill by clicking here.

SciFinder provides access to the substance information and chemical literature in CAS (Chemical Abstracts Service) databases. Currently the database includes over 16 million journal articles, patents and other documents and more than 24 million substance records in the CAS Chemical Registry database. See Common Chemistry for a free resource from CAS.

Database of Databaseshttp://tools.lib.utah.edu/databases/index.php?alpha=sFrom this address scroll down to the SciFinder entry

Where to Registerfor access to SciFinder

When is the system available? SciFinder is available 24 hours a day, EXCEPT Saturday evenings and Sunday mornings, when database maintenance is done.

You must register It’s FREE !!!

First-time registrationMust be done from a campus IP address.

Click here to open the database

Page 15: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

SciFinderChemical Abstracts ServiceAmerican Chemical Society

CHEMICAL ABSTRACTS (CAPLUS, bibliographic data, 1907-present)

REGISTRY (chemical structures, bio-sequences, and names, with property and spectral data)

CASREACT (single and multistep organic reactions, 1840-present),

CHEMLIST (regulatory information on chemicals)

CHEMCATS (commercial availability of chemicals from major suppliers)

MARPAT (generic Markush chemical structures from patents)

MEDLINE (biomedical literature, 1946-present)

You can search more than 33 million references by topic, author, CAS Registry Numbers, patent number, and CAS abstract number.

More than 56 million chemical substances may be searched by chemical name, structure, Registry Numbers, and molecular formula.

You can also do substructure searches for substances and more than 42 million organic reactions.

CONTENTS:

Page 16: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

FREE Registration is required for use. Go to ‘SciFinder’ on the Databases Page.First time registration must be done from a campus IP address.

Use your new Username and Password

to Sign In*********

Page 17: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

Natural Language Query

Single particle tracking with real time feedback

Page 18: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

RESULTS SCREEN – SUMMARY DISPLAY

Page 19: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

Single particle tracking real time feedback

removing ‘with’

Page 20: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

Notice how differently the natural language was parsed by SciFinder

Page 21: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

Remove the term ‘feedback’ because it adds nothing to the search

Single particle tracking with real time

Page 22: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

THESE ARE BETTER RESULTS !

Page 23: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

How does the Research Topic query work?

The Explore by Research Topic: SciFinder's search algorithms function VERY differently from those of standard web search-engines. SciFinder uses a proprietary, highly complex (and somewhat mysterious) natural language query algorithm that breaks your query

into a set of discrete concepts, searches them against the database indexes, and then presents you with a selection of result options.

Here is a very brief list of important searching TIPS unique to SciFinder

Compose a natural-language query phrase with at least two distinct concepts, linked with connecting words. Examples: single walled carbon nanotubes in thin film transistors

synthesis of fluorescein derivatives determination of arsenic in wood pulp

BASIC SEARCH STRATEGY

Avoid typing long, complex queries: as with all databases, simpler is usually better. Try to keep your query straightforward, with no more than 3 or 4 distinct concepts. A query that is too complex will usually result in few if any hits. If your topic is inherently complex, start with a simple search of the most important concept or two (making a large ‘results set’), then narrow the results using the Analyze and/or Refine options.

Remember, you are trying to identify the various keywords, phrases and concepts used by researchers reporting their research. As you search, harvest useful keywords from titles, abstracts, subject headings, and descriptors that describe or focus your topic. Changing even one keyword can sometimes result in huge differences in your results.

MECHANICS SciFinder uses connectors (such as "of" "in" "for" "as" "with" etc.) to parse a query into component concepts ; they are not analyzed for their linguistic meaning. For example, 'determination of arsenic' is processed the same way as 'determination in arsenic‘ as ‘determination for arsenic’. You can get around this somewhat by selecting the more restrictive "as entered" option in the results table.

SciFinder is not case-insensitive. AIDS = aids.

Page 24: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

How are records in a results set sorted? The default sort for references is by the database accession number, which is essentially the same as reverse-date: newest documents are on top, the oldest at the bottom. Records from Medline are always below records from CAPLUS, also sorted in reverse chronological order. You can re-sort a results set by author, document title, citing references, or reverse publication year.

SciFinder does not sort reference answers by "relevance" algorithms. To increase relevance you can select the "closely associated with each other" set from the results histogram before displaying your answers, or you can use the Refine, Analyze, and Categorize functions to narrow and focus a results set.

(as of December 2011 release)Substance records are default-sorted by relevance, which should bring the closest matches to the top. It is also useful to re-sort by Number of References, which will bring the best-known and most-cited substances to the top. You can re-sort by reverse Registry Number, which means the most recently reported substances - which usually have few or no references - are on top.

Can I save answer sets from session to session? Yes. You can save a results set (references, substances, or reactions) on the CAS server, or export them to a local disk, then combine a future results set with that saved set if you wish. By employing various options of Combine, Intersect, or Remove, you can manipulate and customize the information contained in these combined answer sets.

Page 25: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

SUBSTANCESCITING REFERENCES

Page 26: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747
Page 27: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

The Full Text link appears with every record on the results summary and full record displays.

Clicking on this link takes you to the actual article or, in some cases, to a menu of local access options for journals. When CAS cannot provide access to electronic full text, the menu includes an option to search the journal's ISSN in the library catalog. For patents, you should be taken directly to the record in the USPTO or Espacenet systems.

It is important to remember that the Full Text link does not mean that an electronic version of that document exists it merely begins a search for one. In practice the link is functional only for journal articles and patent documents, and generally won't lead to other types of materials such as books, conferences, dissertations, tech reports, etc., even if they happen to exist electronically somewhere.

Furthermore, the existence of electronic full text does not guarantee that you (as a U patron) will have access to it. In order to view the full text, the document must either be: included in the U's current electronic subscriptions, or freely available (open access).

If you cannot access the full text document, you have several options to obtain articles: Search the Library Catalog for print holdings Request the article via Interlibrary Service (a service free to U students, faculty and staff.) Use the publisher-provided ‘pay-per-view’ option to purchase the document directly from the publisher. Your decision to use the ‘pay-per-view’ option should only be as a last resort, after all other options have been exhausted.

Getting to Full Text

Page 28: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

ADVANCEDSEARCHFIELDS

Limit by Years Language Author Name Company

Page 29: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

AUTHORNAME

COMPANYNAME

Newman Alfred E

University of Utah

Page 30: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747
Page 31: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

What does the Analyze feature do?

Analyze is a tool that allows you to evaluate and review an answer set without having to browse all the entries one by one.

You can create histograms of your set based on author name, organization/company (only the first author's organization is indexed), language, document type, journal title, date, CAS Registry Number, and so on.

This can help you quickly identify individuals or organizations doing work or getting patents on your topic, chemical substances most frequently mentioned, key publications, trends over time etc. You can click on a histogram bar and view just those records.

Another way to analyze a reference result set is to use the Categorize feature. Choose a broad subject category from the list on the left, then select one or more CA index terms from the right side and view just those records. This technique utilizes the power of CAS' controlled indexing vocabulary and works very nicely for filtering large answer sets.

You can analyze a substance answer set by real-atom attachments, variable group and R-group, precision, ring skeletons, and stereo-chemical precision. This helps narrow down a large substance answer set to zero in on structures of particular interest.

Finally, if you are searching by drawing for a chemical reaction, you can analyze a reaction result set by catalyst, solvent, number of steps, product yield, as well as bibliographic data such as author, journal, year, document type, etc.

The Refine and Analyze tools allow you to narrow your substance results by a number of criteria, including additional structure component, metal- or isotope-content, property data or commercial supplier information, etc.

See the CAS Training page for more details at http://www.cas.org/training/scifinder

Page 32: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

DOCUMENTIDENTIFIERS

121:135246JP 2009-502228

Page 33: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

REQUIRED FIELD

REQUIRED FIELD

Use this screen to search within a specific journal

particle tracking

1950-

Advances in chemical engineering

Smith

Page 34: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

REQUIRED FIELD

The Patent searching screen is flexiblePatent keyword-searching is done first in Research Topic then limited to patents

To search Patents by keyword, Begin with a ‘Research Topic’ query, ‘Refine’ by ‘Document Type’, select ‘Patents’

Page 35: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

CHEMICAL STRUCTURESEARCHING

You can search for similar structures and articles with similar sub-structures

Certain types of limits are easy to apply to your

structure search

Page 36: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

To search substances by chemical structure

Select ‘Explore Substances’ then “Chemical Structure”, draw or specify a chemical structure:

Use the CAS Structure Editor provided with SciFinder to draw a chemical structure:If you do not already have the latest Java plug-in installed, click the Java plug-in link to set up the correct Java environment.If a Java plug-in is not available, specify a structure by entering the desired *cxf file name in the text box and press Enter, or click the Browse button.

Click the thumbnail diagram of the structure editor to open the structure editor. The message "The structure editor is opening..." displays while the editor opens.

Within the structure editor: Draw the structure or …Click (Import) to Import a structure file saved in Chemical eXchange Format (.cxf) or Molfile (.mol) format. Click Browse... to locate the file that contains the structure.

Click (Add) to add and convert a substance identifier to a chemical structure.Copy a structure in ChemDraw or ISIS/Draw to the clipboard and paste it into the CAS Structure Editor.

Click OK.

The Explore Substances page is refreshed with a thumbnail diagram of the specified structure.The current substance search type (for example, Substructure) is shown under the diagram.

Page 37: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

How do I search by molecular formula?

Molecular formulas, while imprecise, can give you searching options not possible any other way. But you do have to understand how CAS derives and indexes the MF in Registry records.

Single component substances: Under Explore Substances/Molecular Formula tab, enter the formula in any element order but add up all the atoms Example: Benzoic acid is C7 H6 O2 not C6H5COOH). SciFinder will parse and order the formula and ask you for clarification if it's ambiguous. Searches are not case-sensitive unless the symbols are ambiguous. Spaces between the elements are optional.

Multicomponent substances (salts, mixtures, hydrates, etc.): Separate the individual components with a dot. Example: Sodium benzoate is indexed as C7H6O2 . Na. See the explanation under salts below.

Polymers: Component formulas are in parentheses, separated by dots, with an x following. Ex.: (C8 H8 . C4 H6)x

Alloys: Elements are listed in alphabetical order, separated by dots. Ex.: Cr . Fe . Mo . Ni

Molecular formula searches often retrieve large numbers of hits. You can use the Analyze/Refine tool and draw part of the structure to narrow them down, or try another kind of search.

Explore Substances

Page 38: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

Use the Hill System when entering line formulas

Almost any substance identifier

may be used

CAS Registry Numbers are excellent identifiers

Page 39: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

How do I search for chemical names?

Carefully. Under ‘Explore Substances’, select the "Substance Identifier" option.

Chemical nomenclature in general is very complex, and follows different sets of rules. CAS uses its own nomenclature rules to assign systematic names to chemical substances, and their rules have changed substantially over the years. The Registry database indexes the current official CA Index Name for all substances, along with any former CA Index Names and various synonyms and trade names that have been used in the literature.

However, the Registry is not a comprehensive source of chemical names and trade names. It's straightforward to search by well-known common names (ex. acetic acid, cyclohexane, acetaminophen), familiar trade names (ex. Taxol), and common abbreviations (ex. MTBE). It is not currently possible to browse an alphabetical index of names in SciFinder.

Searching systematic names is less reliable because of the many possible variations in a name string. In general, the longer the systematic name the less likely you'll find it by typing it exactly.

SciFinder looks first for an exact match to the name as you type it. If it finds an exact match, it displays only that compound, and no others. For example, if you search for "Gallopamil" it will retrieve the one compound that has that exact name, but it will NOT retrieve compounds where "Gallopamil" is a segment of a longer name, such as "Gallopamil hydrochloride" (or any salts or multicomponent compounds). If it doesn't find an exact match, it next looks for the string you entered as a segment within a name. It will retrieve all such partial matches.

For long names, you'll have a better chance of getting a hit if you break it up into discrete segments instead of a single unbroken string.

SciFinder will retrieve all the compounds that have names including all the segments, and you can browse these for the one you want. If you get too many hits, add locants to some segments to narrow the possibilities. For example, to search for 2-(3-buten-1-yl)-2,3,4,9-tetrahydro-1H-Pyrido[3,4-b]indole-1-carboxylic acid type some of the identifiable functional group segments, in any order, separated by spaces: 3-buten-1-yl 2,3,4,9-tetrahydro 1H-pyrido 1-carboxylic and you'll get a table of matches to browse.

As with all chemical database tools, the chemical name is not the ideal way to search for a compound because of the complexity and inconsistency of chemical nomenclature and the diversity of synonyms and trade names used in the literature. Never rely on a name search when doing a comprehensive search for a compound. The rule of thumb is, when in doubt, draw it!

Explore Substances

Page 40: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

CAS Registry Numbers

Each CAS Registry Number (often referred to as a CAS Number, RN ):

• Is a unique numeric identifier – can contain up to 10 digits, divided by hyphens into three parts

• Designates only one substance – stereo isomers have different CAS numbers

• Has no chemical significance

• Is a link to a wealth of information about a specific chemical substance !

Since CAS Registry Numbers are not dependent upon any system of chemical nomenclature, they can:

• Provide a reliable common link among the various nomenclature terms used to describe substances • Serve as an international resource & standard for chemical substance identifiers used by scientists, industry and regulatory bodies

For example, 58-08-2 is the CAS Registry Number for caffeine.

Excellent way to search substancesfor properties, articles, reactions, …

Page 41: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

Caveats - to using Registry Numbers

Registry numbers are useful substitutes for names, but they are not perfect. CAS' complex registration policies can cause confusion.

This is especially true for substances with undefined structures. commercial formulations, polymers, mixtures, inorganic substances, and for organic salts and stereoisomers. (separate RNs are assigned for ions, charge states, hydration states, etc.)

RNs used from non-CAS resources, often are not checked for accuracy or updated to reflect changes. When in doubt, verify a Registry Number in SciFinder.

In 2008 CAS began a cooperative project to verify RNs in Wikipedia articles on chemicals.

While a de facto standard for chemical identification, CAS RNs are proprietary; third-party USE requires a license.

Other Places to Find Registry Numbers

Many printed and online reference sources about chemicals use CAS Registry Numbers as a standard identifier:

Registry Database (SciFinder) -online Sigma-Aldrich Catalog (or virtually any chemical supplier's web catalog) -online NIST Chemistry WebBook -online Combined Chemical Dictionary -online Common Chemistry (CAS) -online CRC Handbook of Chemistry and Physics (Organic and Inorganic compound tables) -online via the library Kirk Othmer Encyclopedia of Chemical Technology –online via the library Merck Index (Handbook Table) -online via the library

Page 42: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

Property Searching

Page 43: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

How do I find property values for a compound?

There are two approaches in SciFinder to search for documents that might contain specific kinds of property data.

The most straightforward way is to use the compound's Registry Number in a research topic query, e.g. "vapor pressure of 104-76-7", and view the results where the concepts are "closely associated with one another."

The other way, which is preferable if you don't already know the RN, is to use Explore Substances to find the compound record, click Get (all) References, and then use the Refine/Topic feature to enter the name of the desired property to narrow the results.Don't select the Properties role when getting references unless you're fairly sure the data was reported after 1967.

The substance roles have not been applied retroactively to the pre-1967 segment of the CAPLUS file.) See the Properties Literature Searching page at uTexas for more details. http://www.lib.utexas.edu/chem/info/thermo-lit.html

Explore Substances

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Can I search for chemical substances by property value(s)?

Yes, for some properties but not others.

Many substance records in the Registry file contain calculated or experimental property data.

Select "Property" in the Explore Substances tab and then choose a property from the menu and enter a specific value or range of values (closed or open-ended).

You can also refine a substance set by experimental property values. See the CAS help pages for more information.

Experimental property data in the Registry come mostly from the literature, but not all are directly searchable.

Predicted properties are generated by algorithms from ACD Labs, and these are related primarily to pharmaceutical discovery.

Searching by property value(s) is more robust in Reaxys, (Beilstein & Gmelin -- not held in campus libraries) and you can also do it in CRC's Combined Chemical Dictionary and Properties of Organic Compounds.

Explore Substances

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Knovel Data SearchHas a specialized search interface for chemical & physical property data. Data Search retrieves numeric and other tabular data contained in Knovel's interactive graphs, equations and tables.

CHEMnetBASESearch the following sources: Properties of Organic Compounds (>29,000), Polymers Properties Database, Dictionary of Organic Compounds (~300,000), Combined Chemical Dictionary (provides access to chemical, physical and structural data on ~540,000 compounds), Dictionary of Inorganic and Organometallic Compounds, Dictionary of Organic Compounds, Dictionary of Drugs, Dictionary of Food Compounds, CRC Handbook of Chemistry and Physics, and more.

Journal of Physical and Chemical Reference Data (JPCRD) Published by the American Institute of Physics (AIP) for NIST. The objective of the Journal is to provide critically evaluated physical and chemical property data, fully documented as to the original sources and the criteria used for evaluation.

Organic SynthesisAccess all 77 volumes of ORGANIC SYNTHESIS online.Note: Read information thoroughly. Requires free software download.

Materials Safety Data Sheets (MSDS) [RTECS, . . . . . . . . ]A comprehensive full text database containing over 70,000 Material Safety Data Sheets (MSDSs) for chemical products sold or manufactured in North America. Covers 500+ contributors (manufacturers/suppliers/distributors).

OTHER PROPERTY DATA RESOURCES

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REACTION SEARCHINGIs very powerful.

Draw your reaction and search for components as

reactants, products, or catalysts. Predict yield.

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How do I search for chemical reactions? Select "Explore Reactions" from the task menu. Draw a reaction scheme including one or more reactants/reagents, a reaction arrow, and a product (sub)structure. You can focus your substructure search more narrowly and avoid error messages or too many hits by using the locking tools, mapping atoms, and defining reaction sites (bonds broken or formed) in the drawing module. You can also apply pre-limits such as solvent, number of steps, classification, year, etc. Click "Get Reactions" to run the search in the CASREACT database. Results are sorted by relevance. For more information see the CAS Training guides.

Where does SciFinder's reaction information come from? The CASREACT file primarily contains reaction information derived from journals indexed in the Organic sections (which include organometallics) of Chemical Abstracts since 1985 and patents since 1991. CASREACT is not as broad as Beilstein in its reaction coverage before 1985. For best coverage you should search both sources.

Are the cited references in the CA record searchable? Yes. Cited references (representing the works appearing in the article's bibliography) are included in CA bibliographic records back to 1996. Most are hyperlinked to the corresponding record in CA -- just click on the citation to go to that record. To find later documents that cite a specific work or group of works (such as by author), pull up a group of records, select one or more (or just use the entire results set), and click "Get Citing" in the task bar. This will pull up a set of documents (post-1996) that cited the selected original(s).

Web of Science (Science Citation Index) allows more extensive analysis of citations, and calculates an h-index, which SciFinder can't do. It's also the only source to find pre-1996 citing papers.

How can I remove the Medline records from my results? Medline records are sorted separately in results sets, and come after the hits from CAPLUS. After you get a list of references, click the Refine tab, then select the Database button and select CAPLUS. Medline records are often duplicates of CAPLUS records in the same set. SciFinder allows you to remove duplicates from your results set. You can also set your Preferences to automatically remove Medline duplicates.

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SciFinder offers a few ways to do this.

On the Explore Substances page: Do a search by Registry Number, structure, molecular formula, or chemical name. If you wish, you can pre-limit the search to preparation by selecting that option from the Studies menu. Mark the compound(s) in the results table that you wish to explore further. Click "Get References".

On the limiting menu, select the Preparation role. (Registry numbers in document records where a preparation method is described are assigned this role. The Preparation role has been retroactively added to Registry numbers back to 1907.)

You can use Explore Reactions and draw your target compound as a product, along with any starting materials or reactants you wish to include. One nice feature of this method is that the experimental procedures section from selected journals is displayed directly in SciFinder, allowing you to determine applicability of a reaction more quickly.

On the Explore by Research Topic page, enter a phrase query with a Registry Number (preferred) or common name (less accurate):

preparation of 12345-67-8 synthesis of chloroaldehyde

How do I search for the preparation of a compound?Explore Substances

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How do I find spectra for a compound?

IR, NMR (predicted from ACD Labs and experimental from BioRad-Sadtler), and some MS spectra for many compounds are included in a substance's Registry record. Searching for documents containing spectral data works basically the same as a property value search (above). See our Spectral Literature Searching for more details.

How do I locate commercial chemical suppliers? Search for a compound by name, structure, formula, Registry number, etc. View the record for that compound. Click on the "Get Commercial Sources" button to view a list of commercial suppliers and addresses.

Can I find current regulatory information on substances? Yes. Do a search for the substance and locate its Registry record. Then click on the "Get Regulatory Info" link or the button to pull up that compound's CHEMLIST record.

Why do some substances show zero references? Although most Registry compound records come from CAS' indexing of the literature, some compounds are registered from other sources and are not necessarily represented by any indexed literature. Third-party chemical libraries, catalogs, and databases from various external agencies, as well as hypothetical ring parents are also included.

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How do I search for salts?

Salts are often best searched by molecular formula, and CAS treats most of them as multicomponent substances composed of a free acid and a base.

Simple salts like NaCl (= ClNa) are straightforward.

The formulas of more complex inorganic, organometallic and organic salts are indexed as "dot-disconnect" compounds under the following scheme: Fc . NFa Fc is the molecular formula of the cation (or acid), Fa is the anion (or base) formula, N is the number of anions - which can be a whole number or a fraction.

Note that the acid's hydrogen(s) are retained in its component formula. Examples: Sodium benzoate, i.e. the sodium salt of Benzoic acid [C7 H5 Na O2] is searched as: C7 H6 O2 . Na Calcium phosphate, i.e. the calcium salt of Phosphoric acid [Ca3(PO4)2] is searched as: Ca . 2/3 H3 O4 P Organometallic salts: example: C16 H36 N . 1/4 C8 Mo N8

This unique format of formula parsing is based on the sorting in the old CA printed formula indexes, \where all salts of a particular acid would be grouped under the parent acid's alphabetic formula. This policy doesn't make as much sense in the digital environment, but it is still the operating principle.

You can also search for salts by drawing the exact structure of either the free acid or the base, or both together as separate fragments.

Since MF is an exact search, a search for the simple salt will not find any hydrates of the salt. A hydrate can be searched by adding the N . H2O as a third component separated by the dot.

Explore Substances

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How do I search for organometallic compounds?

Doing structure searches for organometallic and coordination compounds in SciFinder is a challenge.

If you're looking for an exact structure, it's sometimes easier to use the molecular formula option instead. (An exact name search is less likely to be successful.)

If you're drawing the structure, Always select "Show precision analysis" before running the search. Then select the "conventional structure" subset of the results. (Note: precision analysis is not available if there is stereochemistry, or for similarity searches.)

There's also a limiter for coordination compounds that you can check if you wish. Another tip: Turn off valency analysis in the drawing applet's preference pane so that the system doesn't keep bothering you about non-standard valencies as you draw. It will still ask you to confirm the non-standard valency before doing the search, and just click OK to proceed as drawn.

For a more extensive overview of searching for inorganic substances, go to http://www.istl.org/11-winter/tips.html

Explore Substances

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How do I search for polymers?

CAS registers most polymers as multicomponent substances composed of one or more monomers.

You can search by name, monomer structure or formula and limit retrieval to polymers in the Class(es) menu.

Search for general classes of polymers as a research topic.

Molecular formulas of polymers are indexed as monomer formula(s) within parentheses, followed by an x: (C8 H8)x ; (C8 H8 . C4 H6)x etc.

Structure searching for copolymers in SciFinder involves executing a search for one monomer as an exact structure, then refining the results by adding another monomer. It's better to start with the least common monomer.

Polymers with undefined structures obviously can't be searched by structure, but must be found with name and class terms instead.

STN documentation can be found at http://www.cas.org/training/stn/polymer-searching-tips

Explore Substances

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By structure: Search for all labelled analogs of a given (sub)structure by drawing and searching the structure, then using Refine to limit to isotope-containing substances. It is not possible in SciFinder to search for a specific label at a specific position.

By molecular formula: Deuterated or Tritiated analogs can be searched as D or T within the formula; these isotopes are double-posted with H in the MF field. Example: C5 H D6 N = C5 H7 N.

How do I search for labeled compounds? Explore Substances

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Can I use SciFinder from off campus?

Yes. You can connect via the U Libraries’ Proxy Server using the link found on the Database pages. Each time you connect from off campus you'll be asked for your uNID and password. The U does not support the use of VPN for connecting to third-party resources. Can I search SciFinder in the library?

Current U students, faculty and staff may use SciFinder on library workstations, provided you have registered for a SciFinder user account. You must enter your uNID and password to use the workstations. Due to license restrictions, courtesy borrowers and the general public are not permitted to use SciFinder.

Can I use SciFinder on my smartphone?

Yes. There is no app to install and you don't need to be on campus. Point your smartphone's browser to scifinder.cas.org/mobile and log in with your existing SciFinder ID and password. There is a daily limit of detailed substance or reference displays, and structure drawing/searching is not available. In addition, there are no direct links to full text.

How can I remove patents from my results?Click the Refine tab from a results screen, then choose Document Type, and select from the menu only those types of documents you wish to see.

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HELP ! SciFinder database help is both in-depth and Excellent

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SciFinder Online Tutorialshttp://www.cas.org/training/scifinder

Substance Searching

Introduction to Substance Searching (15-minutes) How to Explore by Substance Identifier (PDF)Introduction to the SciFinder Drawing Editor (10-minutes)How to Explore by Chemical Structure (PDF)How to Select Structure Search Options (PDF)Search by Exact Structure (5-minute tutorial) Search by Substructure (5-minute tutorial)How to Find Commercial Sources (PDF)Get Commercial Sources (10-minutes)

Reaction Searching

Introduction to Reaction Searching (15-minutes)How to Explore Reactions (PDF)Draw Reactions (10-minute tutorial)How to Analyze Reaction Answers (PDF)How to Refine Reaction Answers (PDF)Plan a Synthesis Project (15-minutes)

Reference Searching

Introduction to Reference Searching (15-minutes) Search for References by Research Topic (5-minutes) How to Explore by Research Topic (PDF)How to Explore by Author Name (PDF)How to Refine Reference Answers (PDF)Analyze Reference Answer Sets (5-minutes) How to Analyze Reference Answer Sets (PDF)How to Access Fulltext (PDF)

General Topics

How to Combine Answer Sets (PDF)Add a Keep Me Posted (KMP) Alert (5-minutes)How to Create a Keep Me Posted (KMP) Alert (PDF)How to Print, Save, and Export (PDF)

Many SciFinder Tutorialsare available in

English, Chinese, French, German, Portuguese, & Spanish

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COMPENDEX 1884-1969 Mechanical Engineering, Chemical Engineering, Civil Engineering, Mining Engineering, Metallurgical Engineering*

SCOPUS 1970-CURRENT Polyglot Coverage – not discipline oriented

INSPEC 1898 – Current Physics, Electrical Engineering, Computer Control

MEDLINE 1950 – Current Bioengineering, Materials Science*

* Better coverage available in a another index

BEST ENGINEERING DATABASES

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COMPENDEXINSEPC

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Compendex & Inspec use the same Search interface

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options

Limit search more

Expert Search syntax

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Sample Record

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Sample Record

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Excellent HELP is available in Engineering Village Databases

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SCOPUS

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Notice the Subject Areas searched

Search Results Screen

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‘Analyze’ search results in Scopus

Analyze by:

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INDEX TERMS

OPTIONS

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HELP - looks similar in Compendex, Inspec & Scopus.

WHY?

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GOOGLE SCHOLAR

"single particle tracking" "real time"

• Google views the order you enter terms as representing their order of significance.• “Scholarly” is a relative term in Google Scholar.• You get full-text access to articles the Library has purchased. LOGIN to the ‘U’ first!

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Page 73: CHEN 7753 Professor Mikhail Skliar October 1, 2013 Michael Noe Science & Engineering Librarian michael.noe@utah.edumichael.noe@utah.edu (preferred) 801-581-7747

GOOGLE SCHOLAR’S FIELD LIMITERSintitle:

author:

site:

filetype:

. .

*

One word or a “phrase within quotes”

First Name (or initials) then Last NameMust be exact. Try variants. Use quotation marks.

Limit your search to an internet domain. site:utah.edu

Limit your search to power point files, PDFs, JPGs, etc.

Number range search. Use for date searching. 2000..2013

Wildcard operator. Replaces a single word. May be used repeatedly.

intitle:”single particle tracking” 2000..2013 site:edu

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Thanks ! Michael Noe

Science & Engineering Librarian [email protected] (preferred)801-581-7747

Feel free to contact me for help.

Thanks !