Training in metabolomics research. II. Processing and statistical analysis of metabolomics data, metabolite identification, pathway analysis, applications of metabolomics and its future

• Type of Material: Article
• Authors: Stephen Barnes, University of Alabama at Birmingham; H. Paul Benton, Scripps Research Institute; Krista Casazza, University of Alabama at Birmingham; Sara Cooper, Hudson Alpha Institute; Xiangqin Cui, University of Alabama at Birmingham; Xiuxia Du, The University of North Carolina; Jeffrey Engler, University of Alabama at Birmingham; Janusz H. Kabarowski, University of Alabama at Birmingham; Shuzhao Li, Emory University; Wimal Pathmasiri, RTI International; Jeevan K. Prasain, University of Alabama at Birmingham; Matthew B. Renfrow, University of Alabama at Birmingham; Hemant K. Tiwari, University of Alabama at Birmingham
• Language: English
• Date: 2016-08-01
• Publisher: Wiley
• Publication Version: Author Accepted Manuscript (After Peer Review)
• Copyright Statement: Copyright © 2016 John Wiley & Sons, Ltd.
• Final Published Version (URL): http://dx.doi.org/10.1002/jms.3780
• Title of Journal or Parent Work: Journal of Mass Spectrometry
• ISSN: 1076-5174
• Volume: 51
• Issue: 8
• Start Page: 535
• End Page: 548
• Grant/Funding Information: The workshop also received support from the UAB Office of the Vice-President for Research and Economic Development, the UAB School of Medicine and College of Arts and Science, the UAB Comprehensive Cancer Center (P30 CA13148), the UAB Comprehensive Diabetes Center, the UAB Diabetes Research Center (P60 DK079626), the UAB Center for Free Radical Biology, and the UAB-UCSD O’Brien Center for Acute Kidney Disease (P30 DK079337), and the Departments of Chemistry and Pharmacology and Toxicology.; Funds for the National Workshop in Metabolomics came from NIH grant R25 GM103798-03.
• Keywords: imaging metabolomics; multivariate analysis; data pre-processing; isotopic labeling; pathway; univariate analysis
• Research Categories: Biology, Genetics; Chemistry, Biochemistry

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.