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Search Publications by: Dmitrii V. Tchekhovskoi (Fed)

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Displaying 26 - 43 of 43

Interconversion of Peptide Mass Spectral Libraries Derivatized with iTRAQ or TMT Labels

July 7, 2016
Author(s)
Zheng Zhang, Xiaoyu Yang, Yuri A. Mirokhin, Dmitrii V. Tchekhovskoi, Weihua Ji, Sanford P. Markey, Pedatsur Neta, Bowen A. Michael, Stephen E. Stein
Derivatizing peptides with isobaric tags such as iTRAQ and TMT is widely employed in proteomics due to their ability to multiplex quantitative measurements. We recently made publicly available a large peptide library derived from iTRAQ 4-plex labeled

A Description of the Clinical Proteomics Tumor Analysis Consortium (CPTAC) Common Data Analysis Pipeline

February 10, 2016
Author(s)
Jeri S. Roth, Paul A. Rudnick, Sanford Markey, Yuri Mirokhin, Xinjian Yan, Dmitrii Tchekhovskoi, Stephen Stein, Nathan J. Edwards, Ratna R. Thangudu, Karen A. Ketchum, Christopher R. Kinsinger, Mehdi Mesri, Henry Rodriguez
The Clinical Proteomic Tumor Analysis Consortium (CPTAC) has produced large proteomics datasets from the mass spectrometric interrogation of tumor samples previously studied by The Cancer Genome Atlas (TCGA) program. The availability of the genomic and

InChI, the IUPAC International Chemical Identifier

April 15, 2015
Author(s)
Stephen R. Heller, Alan McNaught, Igor Pletnev, Stephen Stein, Dmitrii Tchekhovskoi
This paper documents the design, layout and algorithms of the IUPAC International Chemical Identifier, InChI.

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

October 22, 2013
Author(s)
Yamil Simon, Mark S. Lowenthal, Lisa E. Kilpatrick, Maureen L. Sampson, Kelly H. Telu, Paul A. Rudnick, William G. Mallard, Daniel W. Bearden, Tracey B. Schock, Dmitrii V. Tchekhovskoi, Niksa Blonder, Xinjian Yan, Yuxue Liang, Yufang Zheng, William E. Wallace, Pedatsur Neta, Karen W. Phinney, Alan T. Remaley, Stephen E. Stein
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

An Open Standard for Chemical Structure Representation: The IUPAC Chemical Identifier

September 1, 2003
Author(s)
Stephen E. Stein, Stephen R. Heller, Dmitrii V. Tchekhovskoi
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-based

The IUPAC Chemical Identifier

July 1, 2002
Author(s)
Stephen E. Stein, Stephen R. Heller, Dmitrii V. Tchekhovskoi
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 IUPAC for

The Critical Evaluation of a Comprehensive Mass Spectral Library

August 1, 1999
Author(s)
P Ausloos, C L. Clifton, S G. Lias, Anzor I. Mikaia, Stephen Stein, Dmitrii Tchekhovskoi, O D. Sparkman, Vladimir G. Zaikin, D Zhu
A description of the methods used to build a high quality, comprehensive reference library of electron-ionization mass spectra is presented. Emphasis is placed on the most challenging part of this project the improvement of quality by expert evaluation

The critical evaluation of a comprehensive mass spectral library

March 15, 1999
Author(s)
C L. Clifton, S G. Lias, Anzor I. Mikaia, Stephen Stein, Dmitrii Tchekhovskoi, O D. Sparkman, Vladimir G. Zaikin, Damo Zhu
A description of methods used to build a high quality, comprehensive reference library of EI mass spectra is presented

Quality Control Procedures for the NIST/EPA/NIH Mass Spectral Library

May 31, 1998
Author(s)
C L. Clifton, S G. Lias, Anzor I. Mikaia, O D. Sparkman, Stephen Stein, Dmitrii Tchekhovskoi, Damo Zhu, Vladimir G. Zaikin
The goal of quality control procedures is to produce the best possible spectra for library searching. The role of a panel of data evaluators is presented, and the plans for further improvements of the NIST/EPA/NIH mass spectral library is presented.