title: Training in metabolomics research. II. Processing and statistical analysis of metabolomics data, metabolite identification, pathway analysis, applications of metabolomics and its future.
abstract: Metabolomics, a systems biology discipline representing analysis of known and unknown pathways of metabolism, has grown tremendously over the past 20 years. Because of its comprehensive nature, metabolomics requires careful consideration of the question(s) being asked, the scale needed to answer the question(s), collection and storage of the sample specimens, methods for extraction of the metabolites from biological matrices, the analytical method(s) to be employed and the quality control of the analyses, how collected data are correlated, the statistical methods to determine metabolites undergoing significant change, putative identification of metabolites and the use of stable isotopes to aid in verifying metabolite identity and establishing pathway connections and fluxes. This second part of a comprehensive description of the methods of metabolomics focuses on data analysis, emerging methods in metabolomics and the future of this discipline. Copyright © 2016 John Wiley & Sons, Ltd.
authors.affiliation: Department of Biochemistry and Molecular Genetics, School of Medicine, University of Alabama at Birmingham, Birmingham, AL, 35294, USA.|Department of Pharmacology and Toxicology, School of Medicine, University of Alabama at Birmingham, Birmingham, AL, 35294, USA.|Targeted Metabolomics and Proteomics Laboratory, School of Medicine, University of Alabama at Birmingham, Birmingham, AL, 35294, USA.
authors.forename: Stephen
authors.initials: S
authors.lastname: Barnes
authors.affiliation: Scripps Research Institute, La Jolla, CA, 92307, USA.
authors.forename: H Paul
authors.initials: HP
authors.lastname: Benton
authors.affiliation: Department of Pediatrics, School of Medicine, University of Alabama at Birmingham, Birmingham, AL, 35294, USA.
authors.forename: Krista
authors.initials: K
authors.lastname: Casazza
authors.affiliation: HudsonAlpha Institute, Huntsville, AL, 35806, USA.
authors.forename: Sara J
authors.initials: SJ
authors.lastname: Cooper
authors.affiliation: Section on Statistical Genetics, School of Public Health, School of Medicine, University of Alabama at Birmingham, Birmingham, AL, 35294, USA.
authors.forename: Xiangqin
authors.initials: X
authors.lastname: Cui
authors.affiliation: Department of Bioinformatics and Genomics, University of North Carolina at Charlotte, NC, 28223, USA.
authors.forename: Xiuxia
authors.initials: X
authors.lastname: Du
authors.affiliation: Department of Biochemistry and Molecular Genetics, School of Medicine, University of Alabama at Birmingham, Birmingham, AL, 35294, USA.
authors.forename: Jeffrey
authors.initials: J
authors.lastname: Engler
authors.affiliation: Department of Microbiology, School of Medicine, University of Alabama at Birmingham, Birmingham, AL, 35294, USA.
authors.forename: Janusz H
authors.initials: JH
authors.lastname: Kabarowski
authors.affiliation: Department of Medicine, Emory University, Atlanta, GA, 30322, USA.
authors.forename: Shuzhao
authors.initials: S
authors.lastname: Li
authors.affiliation: RTI International, Research Triangle Park, NC, 27709, USA.
authors.forename: Wimal
authors.initials: W
authors.lastname: Pathmasiri
authors.affiliation: Department of Pharmacology and Toxicology, School of Medicine, University of Alabama at Birmingham, Birmingham, AL, 35294, USA.|Targeted Metabolomics and Proteomics Laboratory, School of Medicine, University of Alabama at Birmingham, Birmingham, AL, 35294, USA.
authors.forename: Jeevan K
authors.initials: JK
authors.lastname: Prasain
authors.affiliation: Department of Biochemistry and Molecular Genetics, School of Medicine, University of Alabama at Birmingham, Birmingham, AL, 35294, USA.
authors.forename: Matthew B
authors.initials: MB
authors.lastname: Renfrow
authors.affiliation: Section on Statistical Genetics, School of Public Health, School of Medicine, University of Alabama at Birmingham, Birmingham, AL, 35294, USA.
authors.forename: Hemant K
authors.initials: HK
authors.lastname: Tiwari
mesh_terms: D000818:Animals; D002853:Chromatography, Liquid; D008401:Gas Chromatography-Mass Spectrometry; D006801:Humans; D007554:Isotopes; D013058:Mass Spectrometry / Q000379:methods*; D055432:Metabolomics / Q000193:education / Q000379:methods
chemical_list: D007554:Isotopes
keywords: data pre-processing; imaging metabolomics; isotopic labeling; multivariate analysis; pathway; univariate analysis