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Author: Stephen Stein

Displaying records 1 to 10 of 44 records.
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1. Loss of H2 and CO from Protonated Aldehydes in Electrospray Ionization Mass Spectrometry
Published: 9/15/2014
Authors: Pedatsur Neta, Yamil Simon, Yuxue Liang, Stephen E Stein
Abstract: Electrospray ionization mass spectrometry of 3-formylchromones and 3-formylcoumarins shows that collision-induced dissociation of the protonated ions results in elimination of H¬¬2 as a major fragmentation route. This loss of H2 yields an unstabl ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=913827

2. Computer-Assisted Quality Control for Building Libraries from Electrospray Ionization Tandem Mass Spectra
Published: 6/4/2014
Authors: Xiaoyu Yang, Pedatsur Neta, Stephen E Stein
Abstract: Electrospray ionization (ESI) tandem mass spectrometry coupled with liquid chromatography is a routine technique for identifying and quantifying compounds in complex mixtures. The identification step can be aided by matching acquired tandem mass ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=915314

3. Tandem Mass Spectral Libraries of Peptides in Digests of Individual Proteins: Human Serum Albumin
Published: 6/2/2014
Authors: Qian Dong, Xinjian Yan, Lisa Ervin Kilpatrick, Yuxue Liang, Yuri Alexander Mirokhin, Jeri S Roth, Stephen E Stein
Abstract: This work presents a method for creating a mass spectral library containing tandem spectra identifiable peptide ions in the tryptic digestion of a single protein. Human serum albumin (HSA) was selected for this purpose owing to its ubiquity and h ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=915114

4. Improved Normalization of Systematic Biases Affecting Ion Current Measurements in Label-free Proteomics Data
Published: 2/21/2014
Authors: Paul A Rudnick, Xinjian Yan, Stephen E Stein, Xia Wang, Nell Sedransk
Abstract: Systematic biases, or batch effects, in ,high-throughput‰ biological datasets can be described as obscuring variabilities introduced during experimental design or analytical processing. These biases, if left unresolved, can lead to misinterpreta ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=913822

5. Quantitative bottom-up proteomics depends on digestion conditions
Published: 12/2/2013
Authors: Mark S Lowenthal, Yuxue Liang, Karen W Phinney, Stephen E Stein
Abstract: Accurate quantification is a fundamental requirement in the fields of proteomics and biomarker discovery, and for clinical diagnostic assays. To demonstrate the extent of quantitative variability in measurable peptide concentrations due to differenc ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=914393

6. Metabolite Profiling of a NIST Standard Reference Material for Human Plasma (SRM 1950) ‹ GC/MS, LC/MS, NMR and Clinical Laboratory Analyses, Libraries and Web-based resources
Published: 10/22/2013
Authors: Yamil Simon, Mark S Lowenthal, Lisa Ervin Kilpatrick, Maureen L Sampson, Kelly H Telu, Paul A Rudnick, William Gary Mallard, Daniel W Bearden, Tracey Beth Schock Schock, Dmitrii V Tchekhovskoi, Niksa Blonder, Xinjian Yan, Yuxue Liang, Yufang Zheng, William E Wallace III, Pedatsur Neta, Karen W Phinney, Alan T. Remaley, Stephen E Stein
Abstract: Recent progress in metabolomics and the development of increasingly sensitive analytical techniques have renewed interest in global profiling, i.e., semi-quantitative monitoring of all chemical constituents of biological fluids. In this work, we have ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=913835

7. Comprehensive analysis of protein digestion using six trypsins reveals the origin of trypsin as a significant source of variability in proteomics
Published: 10/11/2013
Authors: Stephen E Stein, Paul A Rudnick, Scott J Walmsley, Qian Dong, Alexey I Nesvizhskii, Yuxue Liang
Abstract: Trypsin is an endoprotease commonly used for sample preparation in proteomics experiments. Importantly, protein digestion is dependent on multiple factors, including the trypsin origin and digestion conditions. In-depth characterization of tryp ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=914042

8. Characterizing Vaccinium berry Standard Reference Materials using NIST Mass Spectral Libraries
Published: 1/6/2013
Authors: Mark S Lowenthal, Nirina Rabe Andriamaharavo, Stephen E Stein, Karen W Phinney
Abstract: A gas chromatography-mass spectrometry-based (GC-MS) method was developed for qualitative characterization of metabolites found in Vaccinium-fruit (berry) dietary supplement Standard Reference Materials (SRMs). Definitive identifications are pro ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=912593

9. Developing qualitative LC-MS methods for characterization of Vaccinium berry Standard Reference Materials
Published: 9/2/2012
Authors: Mark S Lowenthal, Melissa Meaney Phillips, Catherine A Rimmer, Paul A Rudnick, Yamil Simon, Stephen E Stein, Karen W Phinney
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=911317

10. Extension of ThermoML: The IUPAC Standard for Thermodynamic Data Communications (IUPAC Recommendations 2011)
Published: 9/7/2011
Authors: Michael Frenkel, Robert D Chirico, Vladimir Diky, Paul L Brown, John H. Dymond, Robert Nathan Goldberg, Anthony R.H. Goodwin, Heiko Heerklotz, Erich Koenigsberger, John E. Ladbury, Kenneth N. Marsh, David P. Remeta, Stephen E Stein, William A. Wakeham, Peter A Williams
Abstract: ThermoML is an XML-based approach for storage and exchange of experimental, predicted, and critically evaluated thermophysical and thermochemical property data. Extensions to the ThermoML schema for the representation of speciation, complex equilibri ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=908392



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