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A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments

A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments

Everett, Jeremy R. ORCID: 0000-0003-1550-4482, Dona, Anthony C., Kyriakides, Michael, Scott, Flora, Shephard, Elizabeth A., Varshavi, Dorsa and Veselkov, Kirill (2016) A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments. Computational and Structural Biotechnology Journal, 14. pp. 135-153. ISSN 2001-0370 (Print), 2001-0370 (Online) (doi:10.1016/j.csbj.2016.02.005)

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Abstract

Metabonomics/metabolomics is an important science for the understanding of biological systems and the prediction of their behaviour, through the profiling of metabolites. Two technologies are routinely used in order to analyse metabolite profiles in biological fluids: nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS), the latter typically with hyphenation to a chromatography system such as liquid chromatography (LC), in a configuration known as LC–MS. With both NMR and MS-based detection technologies, the identification of the metabolites in the biological sample remains a significant obstacle and bottleneck. This article provides guidance on methods for metabolite identification in biological fluids using NMR spectroscopy, and is illustrated with examples from recent studies on mice.

Item Type: Article
Uncontrolled Keywords: Nuclear magnetic resonance (NMR) spectroscopy, Metabolite identification, Molecular structure, Metabonomics etabolomics
Faculty / Department / Research Group: Faculty of Engineering & Science
Faculty of Engineering & Science > Department of Pharmaceutical, Chemical & Environmental Sciences
Last Modified: 13 Jul 2017 12:02
Selected for GREAT 2016: None
Selected for GREAT 2017: None
Selected for GREAT 2018: None
URI: http://gala.gre.ac.uk/id/eprint/14881

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