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Author: stephen stein

Displaying records 11 to 20 of 37 records.
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11. Monte Carlo / RRKM / Classical Trajectories Modeling of Collisional Excitation and Dissociation of n-Butylbenzene Ion in Multipole Collision Cells of Tandem Mass Spectrometers
Published: 5/18/2010
Authors: Vadim Dmitrievich Knyazev, Stephen E Stein
Abstract: The two-channel reaction of collision-induced dissociation (CID) of the n-butylbenzene cation under the conditions of multipole collision cells of tandem mass spectrometers was studied computationally. The results were compared with the experimental ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=905170

12. Effect of N-Terminal Glutamic Acid and Glutamine on Fragmentation of Peptide Ions
Published: 3/27/2010
Authors: Bhaskar Godugu, Pedatsur Neta, Yamil Simon, Stephen E Stein
Abstract: A prominent dissociation path for electrospray generated tryptic peptide ions is the dissociation of the peptide bond linking the second and third residues from the amino-terminus. The formation of the resulting b^d2^ and y^dn-2^ fragments has been r ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=905100

13. Classical Trajectories and RRKM Modeling of Collisional Excitation and Dissociation of Benzylammonium and tert Butyl Benzylammonium Ions in a Quadrupole-Hexapole-Quadrupole Tandem Mass Spectrometer
Published: 3/1/2010
Authors: Vadim Dmitrievich Knyazev, Stephen E Stein
Abstract: Collision-induced dissociation of the benzylammonium and the 4-tert butyl benzylammonium ions was studied experimentally in an electrospray ionization quadrupole-hexapole-quadrupole tandem mass spectrometer. Ion fragmentation efficiencies were determ ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=901075

14. Application of Histograms in Evaluation of Large Collections of Gas Chromatographic Retention Indices
Published: 9/18/2009
Authors: Zenkevich G. Igor, Valeri Ivan Babushok, Peter J Linstrom, Edward White, Stephen E Stein
Abstract: The effective use of gas chromatographic retention data presented in the form of reten¬tion indices (RI) requires the development of a compre¬hensive structure-based digital archive of retention parameters. Development of such an archive includes the ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=902129

15. Collisional Energy Dependence of Peptide Ion Fragmentation
Published: 3/1/2009
Authors: Pedatsur Neta, Y Simon-Manso, Xiaoyu Yang, Stephen E Stein
Abstract: 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, de ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=832215

16. The Drosophila melanogaster PeptideAtlas facilitates the use of peptide data for improved fly proteomics and genome annotation
Published: 2/11/2009
Authors: Sandra Loevenich, Erich Brunner, Nichole King, Stephen E Stein, Ernst Hafen, Rudolf Aebersold
Abstract: 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 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=832370

17. Consecutive Neutral Losses of H^d2^O and C^d2^H^d4^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.
Published: 11/1/2007
Authors: Pedatsur Neta, Quan-Long Pu, Xiaoyu Yang, Stephen E Stein
Abstract: 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 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=831997

18. Development of Database on Gas-Chromatographic Retention Properties of Organic Compounds
Published: 7/2/2007
Authors: Valeri Ivan Babushok, Peter J Linstrom, J J Reed, I G Zenkevich, Robert L Brown, William Gary Mallard, Stephen E Stein
Abstract: 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 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=832002

19. Fragmentation of Leucine Enkephalin as a Function of Laser Fluence in a MALDI TOF-TOF
Published: 4/2/2007
Authors: Jennifer M Campbell, Stephen E Stein, Paul S Blank, Jonathan Epstein, Marvin L Vestal, Alfred L Yergey
Abstract: 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 r ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=831978

20. Estimation of Kov ts Retention Indices Using Group Contributions
Published: 3/17/2007
Authors: Stephen E Stein, Valeri Ivan Babushok, Robert L Brown, Peter J Linstrom
Abstract: 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 m ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=831988



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