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Author: stephen stein

Displaying records 21 to 30 of 37 records.
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21. New Global Communication Process in Thermodynamics: Impact on Quality of Published Experimental Data
Published: 10/11/2006
Authors: Michael Frenkel, Robert D Chirico, Vladimir Diky, Chris D Muzny, Qian Dong, K N Marsh, John H. Dymond, William A. Wakeham, Stephen E Stein, Erich Koenigsberger, Anthony R.H. Goodwin, Joe W Magee, Michiel Thijssen, William Michael Haynes, Suphat Watanasiri, Marco Satyro, Martin Schmidt, Andrew I Johns, Gary R Hardin
Abstract: Thermodynamic data often represent a key resource in the search for new relationships between properties of chemical systems that constitutes the basis of the scientific discovery process. In addition, thermodynamic information is critical for develo ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=50328

22. Standards for Plasma and Serum Protoemics in Early Cancer Detection: A Needs Assessment Report From the NIST-NCI SMART Workshop, August 18-19, 2005
Published: 9/1/2006
Authors: Peter E. Dr. Barker, Paul D Wagner, Stephen E Stein, David M Bunk, S Srivastava, Gilbert Omenn
Abstract: The National Institute of Standards and Technology (NIST) and the National Cancer Institute (NCI) co-sponsored a workshop on August 18-19, 2005 to examine needs for reference materials to support biomarker discovery for early cancer detection. Needs ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=830508

23. Dehydration vs. Deamination of N-Terminal Glutamine in Collision-Induced Dissociation of Protonated Peptide Ions
Published: 8/11/2006
Authors: Pedatsur Neta, Quan-Long Pu, Lisa Ervin Kilpatrick, Xiaoyu Yang, Stephen E Stein
Abstract: Some of the most prominent neutral losses in peptide ion fragmentation are the loss of ammonia and water from N-terminal glutamine. These processes are studied by electrospray ionization mass spectrometry in singly- and doubly-protonated peptide io ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=831981

24. On the Risk of False Positive Identification Using Multiple Ion Monitoring in Qualitative Mass Spectrometry: Large-Scale Intercomparisons With a Comprehensive Mass Spectral Library
Published: 6/1/2006
Authors: Stephen E Stein, David N Heller
Abstract: Analysts involved in qualitative mass spectrometry have long debated the minimum data requirements for demonstrating that signals from an unknown sample are identical to those from a known compound. Often this process is carried out by comparing a f ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=831954

25. XML-BASED IUPAC STANDARD FOR EXPERIMENTAL, PREDICTED, AND CRITICALLY EVALUATED THERMODYNAMIC PROPERTY DATA STORAGE AND CAPTURE (ThermoML): IUPAC Recommendations 2005
Published: 5/1/2006
Authors: Michael Frenkel, Robert D Chirico, Vladimir Diky, Qian Dong, Kenneth N. Marsh, John H. Dymond, William A. Wakeham, Stephen E Stein, Erich Koenigsberger, Anthony R.H. Goodwin
Abstract: ThermoML is an XML-based emerging IUPAC standard for storage and exchange of experimental, predicted, and critically evaluated thermophysical and thermochemical property data. The basic principles, scope, and description of all structural elements of ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=50182

26. An Open Standard for Chemical Structure Representation: The IUPAC Chemical Identifier
Published: 9/1/2003
Authors: Stephen E Stein, Stephen Richard Heller, Dmitrii V Tchekhovskoi
Abstract: IUPAC has long been involved in the development of systematic and standard procedures for naming chemical substances on the basis of their structure. The resulting rules of nomenclature, while covering almost all compounds, were designed for text-bas ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=831908

27. Comparing Mass Spectra: When Do They Match?
Published: 1/1/2003
Author: Stephen E Stein
Abstract: A common method of determining the identity of a compound is to compare its spectrum against a known standard spectrum of the same substance. Comparisons can be made based on a variety of criteria. How does an analyst know that a match has occurred ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=831865

28. An XML Namespace for IUPAC
Published: 7/1/2002
Author: Stephen E Stein
Abstract: The author presented two talks at the IUPAC/CAS conference of Chemical identifiers and XML in Chemistry, on July 1, 2002 in Columbus Ohio. He will be sending PowerPoint presentations of these talks, both concerning on-going projects at NIST, to IUPA ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=831815

29. The IUPAC Chemical Identifier
Published: 7/1/2002
Authors: Stephen E Stein, Stephen Richard Heller, Dmitrii V Tchekhovskoi
Abstract: The author presented two talks at the IUPAC/CAS conference of Chemical identifiers and XML in Chemistry, on July 1, 2002 in Columbus Ohio. He will be sending powerpoint presentations of these talks, both concerning on-going projects at NIST, to IUP ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=831813

30. An Integrated Method for Spectrum Extraction and Compound Identification from GC/MS Data
Published: 12/1/1999
Author: Stephen E Stein
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=100757



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