title: A discriminant based charge deconvolution analysis pipeline for protein profiling of whole cell extracts using liquid chromatography-electrospray ionization-quadrupole time-of-flight mass spectrometry.
abstract: A discriminant based charge deconvolution analysis pipeline is proposed. The molecular weight determination (MoWeD) charge deconvolution method was applied directly to the discrimination rules obtained by the fuzzy rule-building expert system (FuRES) pattern classifier. This approach was demonstrated with synthetic electrospray ionization-mass spectra. Identification of the tentative protein biomarkers by bacterial cell extracts of Salmonella enterica serovar typhimurium strains A1 and A19 by liquid chromatography-electrospray ionization-mass spectrometry (LC-ESI-MS) was also demonstrated. The data analysis time was reduced by applying this approach. In addition, this method was less affected by noise and baseline drift.
authors.affiliation: Center for Intelligent Chemical Instrumentation, Clippinger Laboratories, Department of Chemistry and Biochemistry, OHIO University, Athens, OH 45701-2979, USA.
authors.forename: Weiying
authors.initials: W
authors.lastname: Lu
authors.forename: John H
authors.initials: JH
authors.lastname: Callahan
authors.forename: Frederick S
authors.initials: FS
authors.lastname: Fry
authors.forename: Denis
authors.initials: D
authors.lastname: Andrzejewski
authors.forename: Steven M
authors.initials: SM
authors.lastname: Musser
authors.forename: Peter de B
authors.initials: Pde B
authors.lastname: Harrington
mesh_terms: D000465:Algorithms; D001426:Bacterial Proteins / Q000032:analysis* / Q000737:chemistry; D002853:Chromatography, Liquid / Q000379:methods*; D016002:Discriminant Analysis; D010363:Pattern Recognition, Automated; D019779:Salmonella enterica / Q000166:cytology*; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*
chemical_list: D001426:Bacterial Proteins