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Metabolomics

Protocol
Part of the Springer Protocols Handbooks book series (SPH)

Abstract

The interaction between biological systems and their environments is complex and often involves mechanisms beyond changes in the genome and/or the proteome at the metabolome level. Metabolomics is a field of science, which involves the comprehensive quantitative and qualitative profiling of multiple metabolites and their interactions with environmental variables of interest such as diet, disease, environment, or exposure to chemicals. Monitoring these metabolites represents the closest end-point to understand the cell dynamics at the functional level as compared to genomics or proteomics. Metabolomics is heavily applied in the identification of biomarkers for disease diagnosis and prognosis, drug toxicity and efficacy, genetic polymorphisms, drug metabolism, and fluxomics. These applications are discussed in detail in this chapter.

There are at least 3,000 metabolites in the human body and up to 200,000 metabolites in the plant kingdom, which are very different in their physical and chemical properties such as pKa, polarity, solubility, and size. The comprehensive quantitative analyses of the metabolome and handling the amount of data generated from such analyses pose substantial challenges. Therefore, metabolomics is a technique-driven enterprise that heavily relies on the analytical and bioinformatics support of data generation and analysis.

There is no single global analytical technique that combines all the characteristics required for comprehensive quantitative analyses of the metabolome. However, mass spectrometry (MS) and nuclear magmatic resonance (NMR) represent the analytical techniques of choice in metabolomics. The theory, application, and experimental considerations of these techniques, which are relevant to metabolomics, are presented in this chapter.

Finally, the raw data generated from the quantitative analysis of the metabolome requires several stages of processing to improve its quality, reduce its size, and convert it to a format that can be subject to statistical analysis. Different strategies of data processing and statistical analysis are discussed in this chapter.

Keywords

Metabolomics LC–MS UPLC HPLC NMR Structure elucidation PCA 

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Copyright information

© Springer Science+Business Media New York 2014

Authors and Affiliations

  1. 1.Department of Pharmaceutical SciencesUniversity of Nebraska Medical CenterOmahaUSA

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