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Search Publications by: Stephen E. Stein (Fed)

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Displaying 76 - 100 of 118

Collisional Energy Dependence of Peptide Ion Fragmentation

March 1, 2009
Author(s)
Pedatsur Neta, Y Simon-Manso, Xiaoyu Yang, Stephen Stein
The energy dependence of fragmentation in a collision cell was measured for 2100 peptide ions derived from the digestion of twenty four common proteins. Most proteins were digested by trypsin and derived peptides were divided into several classes

The Drosophila melanogaster PeptideAtlas facilitates the use of peptide data for improved fly proteomics and genome annotation

February 11, 2009
Author(s)
Sandra Loevenich, Erich Brunner, Nichole King, Stephen Stein, Ernst Hafen, Rudolf Aebersold
Background: Crucial foundations of any quantitative systems biology experiment are correct genome and proteome annotations in the reference databases used. Protein databases compiled from high quality empirical protein identifications, which are - in turn

Computer Assisted Expert Evaluation of NIST/NIH/EPA Mass Spectral Library

October 16, 2008
Author(s)
Anzor I. Mikaia, Stephen E. Stein, Vladimir G. Zaikin, D Zhu
The methods used to build a high quality, comprehensive reference library of positive ion EI mass spectra will be discussed. A description of the development of the present system of evaluation will be presented with emphasis on establishing the criteria

NIST 1. NIST/EPA/NIH Mass Spectral LibraryNIST '98 ASCII Version

October 16, 2008
Author(s)
Stephen E. Stein
NIST '98 is a fully evaluated collection of electron-ionization mass spectra. It is the product of a ten-year effort by a team of experienced mass spectrometrists in which each spectrum was examined for correctness.This has led to thousands of selections

NIST 35. NIST/EPA Gas-Phase Infrared Database - JCAMP Format

October 16, 2008
Author(s)
Stephen E. Stein
This data collection contains 5,228 infrared spectra in the JCAMP-DX (Joint Committe for Atomic and Molecular Physical Data Data Exchange) format. They are provided in two separate files on six (6) high density 3 diskettes for MS-DOS personal computers

Consecutive Neutral Losses of H 2 O and C 2 H 4 O From N-Terminal Thr-Thr and Thr-Ser in Collision-Induced Dissociation of Protonated Peptides. Position Dependent Water Loss From Single Thr or Ser.

November 1, 2007
Author(s)
Pedatsur Neta, Quan-Long Pu, Xiaoyu Yang, Stephen E. Stein
A two-step neutral loss from tryptic peptides containing Thr-Thr or Thr-Ser at their N-terminus is studied. This process also requires a mobile proton (i.e., the number of charges on the peptide is greater than the number of basic amino acids) and leads to

Development of Database on Gas-Chromatographic Retention Properties of Organic Compounds

July 2, 2007
Author(s)
Valeri I. Babushok, Peter J. Linstrom, J J. Reed, I G. Zenkevich, Robert L. Brown, William G. Mallard, Stephen E. Stein
A comprehensive database of gas chromatographic properties of chemical compounds has been developed using multiple literature sources. The collection of retention data for non-polar and polar stationary phases currently contains 292,924 data records for 42

Fragmentation of Leucine Enkephalin as a Function of Laser Fluence in a MALDI TOF-TOF

April 2, 2007
Author(s)
Jennifer M. Campbell, Stephen Stein, Paul S. Blank, Jonathan Epstein, Marvin L. Vestal, Alfred L. Yergey
The effects of laser fluence on ion formation in MALDI was studied using a tandem TOF mass spectrometer using a Nd-YAG laser and alpha-cyano hydrocinnamic acid matrix. Leucine enkephalin ionization and fragmentation were followed over laser fluence ranging

Estimation of Kov ts Retention Indices Using Group Contributions

March 17, 2007
Author(s)
Stephen E. Stein, Valeri I. Babushok, Robert L. Brown, Peter J. Linstrom
We have constructed a group contribution method for estimating Kov ts retention indices by using observed data from a set of diverse organic compounds. Our database contains observed retention indices for over 35,000 different molecules. These were

New Global Communication Process in Thermodynamics: Impact on Quality of Published Experimental Data

October 11, 2006
Author(s)
Michael D. 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. Goodwin, Joe W. Magee, Michiel Thijssen, William M. Haynes, Suphat Watanasiri, Marco Satyro, Martin Schmidt, Andrew I. Johns, Gary R. Hardin
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 development

Standards for Plasma and Serum Protoemics in Early Cancer Detection: A Needs Assessment Report From the NIST-NCI SMART Workshop, August 18-19, 2005

September 1, 2006
Author(s)
Peter E. Barker, Paul D. Wagner, Stephen E. Stein, David M. Bunk, S Srivastava, Gilbert Omenn
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 for

XML-BASED IUPAC STANDARD FOR EXPERIMENTAL, PREDICTED, AND CRITICALLY EVALUATED THERMODYNAMIC PROPERTY DATA STORAGE AND CAPTURE (ThermoML): IUPAC Recommendations 2005

May 1, 2006
Author(s)
Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Qian Dong, Kenneth N. Marsh, John H. Dymond, William A. Wakeham, Stephen E. Stein, Erich Koenigsberger, Anthony R. Goodwin
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