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Author: stephen stein

Displaying records 11 to 20 of 44 records.
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11. Electron Ionization Mass Spectra of Alkylated Sulfabenzamides
Published: 3/30/2011
Authors: Nino Guram Todua, Kirill V. Tretyakov, Roman S. Borisov, Dmitry I. Zhilyaev, Vladimir G. Zaikin, Stephen E Stein, Anzor I. Mikaia
Abstract: Mono-, di- and trialkyl derivatives of "sulfabenzamide" (N-4-aminophenylsulfonyl-benzamide) are prepared and their EI mass spectra are examined. It is found that the fragmentation of N- alkylsulfabenzamides (Alkyl = CH3 to n-C5H11) proceeds via a ver ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=907083

12. Charge States of y Ions in the Collision-Induced Dissociation of Doubly Charged Tryptic Peptide Ions
Published: 2/25/2011
Authors: Pedatsur Neta, Stephen E Stein
Abstract: Bonds that break in collision-induced dissociation (CID) are often weakened by a nearby proton, which can, in principle, be carried away by either of the product fragments. Since peptide backbone dissociation is commonly charge-directed, relative int ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=907257

13. Loss of 45 Da from a2 Ions and Preferential Loss of 48 Da from a2 Ions Containing Methionine in Peptide Ion Tandem Mass Spectra
Published: 1/29/2011
Authors: Yamil Simon, Pedatsur Neta, Xiaoyu Yang, Stephen E Stein
Abstract: While analyzing tandem mass spectra of tryptic tripeptides, intense unassigned peaks were observed, which correspond to a neutral loss of 45 Da from a^d2^ ions. From exact mass analysis this loss is ascribed to formamide (or NH^d3^+CO). Elimination o ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=906270

14. ThermoML an XML-based Approach for Storage and Exchange of Experimental and Critically Evaluated Thermophysical and Thermochemical Property Data. 5. Speciation and Complex Equilibria
Published: 1/7/2011
Authors: Michael Frenkel, Vladimir Diky, Robert D Chirico, Robert Nathan Goldberg, Heiko Heerklotz, John E. Ladbury, David P. Remeta, John H. Dymond, Anthony R.H. Goodwin, Kenneth N. Marsh, William A. Wakeham, Stephen E Stein, Paul L Brown, Erich Koenigsberger, Peter A Williams
Abstract: ThermoML is an XML-based approach for storage and exchange of experimental and critically evaluated thermophysical and thermochemical property data. Extensions to the ThermoML schema for the representation of speciation and complex equilibria are des ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=906899

15. Electrospray Tandem Quadrupole Fragmentation of Quinolone Drugs and Related Ions. On the Reversibility of Water Loss from Protonated Molecules
Published: 11/30/2010
Authors: Pedatsur Neta, Bhaskar Godugu, Yuxue Liang, Yamil Simon, Xiaoyu Yang, Stephen E Stein
Abstract: Selected reaction monitoring (SRM) of quinolone drugs showed1 different sensitivities in aqueous solution vs. biological extract. The authors suggested formation of two singly protonated ions with different behavior, one undergoing loss of H^d2^O and ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=906110

16. Depletion of Abundant Plasma Proteins and Limitations of Plasma Proteomics
Published: 10/1/2010
Authors: Chengjian Tu, Paul A Rudnick, Misti Y. Martinez, Kristin L. Cheek, Stephen E Stein, Robert J. Slebos, Daniel C. Liebler
Abstract: Immunoaffinity depletion of high abundance plasma proteins is frequently employed to enhance detection of lower abundance proteins in both shotgun and targeted proteomic analyses. Here we present a detailed evaluation of the Agilent Multiple Affinit ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=905138

17. Unique para-effect in electron ionization mass spectra of bis(perfluoroacyl) derivatives of bifunctional aminobenzenes
Published: 9/15/2010
Authors: Kirill V. Tretyakov, Nino Guram Todua, Roman S. Borisov, Vladimir G. Zaikin, Stephen E Stein, Anzor I. Mikaia
Abstract: A new kind of "para-effect" under EI conditions has been discovered for a series of bis(perfluoroacyl) derivatives of o-, m- and p- phenylendiamines, hydroxybenzeneamines and mercaptobenzeneamines of a common structure RCOX C^d6^H^d4^ NHCOR (X = NH, ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=905023

18. 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

19. 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

20. 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



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