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Publications

Search Publications by

Qian Dong (Fed)

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Displaying 1 - 18 of 18

Comprehensive Analysis of Tryptic Peptides Arising from Disulfide Linkages in NISTmAb and Their Use for Developing a Mass Spectral Library

June 22, 2021
Author(s)
Qian Dong, Xinjian Yan, Yuxue Liang, Sanford Markey, Sergey L. Sheetlin, Concepcion Remoroza, William E. Wallace, Stephen Stein
This work presents methods for identifying and then creating a mass spectral library for disulfide-linked peptides originating from the NISTmAb. Analysis involved both partially- reduced and non-reduced proteins under neutral and weakly basic conditions

Mass Spectral Library of Acylcarnitines Derived from Human Urine

April 8, 2020
Author(s)
Xinjian Yan, Sanford Markey, Ramesh Marupaka, Qian Dong, Brian T. Cooper, Yuri Mirokhin, William E. Wallace, Stephen Stein
We describe the creation of a mass spectral library of acylcarnitines and conjugated acylcarnitines from the LC–MS/MS analysis of six NIST urine reference materials. To recognize acylcarnitines, we conducted in-depth analyses of fragmentation patterns of

The NISTmAb Tryptic Peptide Spectral Library for Monoclonal Antibody Characterization

February 9, 2018
Author(s)
Qian Dong, Yuxue Liang, Xinjian Yan, Sanford P. Markey, Yuri A. Mirokhin, Dmitrii V. Tchekhovskoi, Tallat H. Bukhari, Stephen E. Stein
We describe the creation of a mass spectral library composed of all identifiable spectra derived from the tryptic digest of a therapeutic monoclonal antibody. The NISTmAb library is a unique reference peptide spectral library developed from a total of six

Comprehensive analysis of protein digestion using six trypsins reveals the origin of trypsin as a significant source of variability in proteomics

October 11, 2013
Author(s)
Stephen E. Stein, Paul A. Rudnick, Scott J. Walmsley, Qian Dong, Alexey I. Nesvizhskii, Yuxue Liang
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 trypsin activity

ILThermo: A Free-Access Web Database for Thermodynamic Properties of Ionic Liquids

July 15, 2007
Author(s)
Qian Dong, Chris D. Muzny, Andrei F. Kazakov, Vladimir Diky, Joe W. Magee, Jason A. Widegren, Robert D. Chirico, Kenneth N. Marsh, Michael D. Frenkel
The development, scope, and functionality of the web-based ionic liquids database, ILThermo, are described. The database is available free to the public, and aims to provide users worldwide with up-to-date information from publications of experimental

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

Ionic Liquids Database (ILThermo)

July 23, 2006
Author(s)
Qian Dong, Andrei F. Kazakov, Chris D. Muzny, Robert D. Chirico, Jason A. Widegren, Vladimir Diky, Joe W. Magee, Kenneth N. Marsh, Michael D. Frenkel
Ionic Liquids Database (ILThermo)is a free web research tool that allow users worldwide to access an up-to-data data collection from the publications on experimental studies of thermodynamic and transport properties of ionic liquids, as well as binary and

Uncertainty Reporting for Experimental Thermodynamic Properties

January 1, 2005
Author(s)
Qian Dong, Robert D. Chirico, Xinjian Yan, X Hong, Michael D. Frenkel
This paper reviews practices in the expression of uncertainty in the experimental literature for thermodynamic property measurements with determinations of critical temperature for pure compounds used as a case study. The time period considered is from

ThermoML - an XML-Based Approach to Standardize Storage and Exchange of experimental and Critically Evaluated Thermophysical and Thermochemical Property Data. 1. Experimental Data

February 1, 2003
Author(s)
Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Qian Dong, Svetlana Frenkel, Paul R. Franchois, K N. Marsh, R C. Wilhoit, D L. Embry, T L. Teague
sic principles, scope, and description of all structural elements of ThermoML are discussed. ThermoML is an XML-based approach to standardize storace and exchange of experimental and critically evaluated thermophysical and thermochemical property data

Guided Data Capture (GDC) Software

Author(s)
Vladimir Diky, Robert D. Chirico, R C. Wilhoit, Qian Dong, Michael D. Frenkel
The program provides software tools to ease capture (compilation) of experimental thermodynamic and transport property data from the literature for pure compounds, binary and ternary mixtures, and chemical reactions (including change-of-state and