The future of NMR-based metabolomics

• Published in: Current opinion in biotechnology Vol. 43; pp. 34 - 40
• Main Authors: Markley, John L, Brüschweiler, Rafael, Edison, Arthur S, Eghbalnia, Hamid R, Powers, Robert, Raftery, Daniel, Wishart, David S
• Format: Journal Article
• Language: English
• Published: England Elsevier Ltd 01.02.2017
• Subjects: Animals; biochemical pathways; Biomarkers - analysis; Biomarkers - metabolism; Humans; Internal Medicine; isotopes; Magnetic Resonance Imaging; Magnetic Resonance Spectroscopy - methods; mass spectrometry; Metabolic Networks and Pathways; metabolomics; Metabolomics - methods; nuclear magnetic resonance spectroscopy
• ISSN: 0958-1669; 1879-0429
• DOI: 10.1016/j.copbio.2016.08.001

[Display omitted] •NMR offers advantages for metabolomics that may be currently underappreciated.•In future, NMR-based metabolomics needs to focus on its inherent strengths.•Reproducibility and data sharing are of key importance in technology development. The two leading analytical approaches to metabolomics are mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy. Although currently overshadowed by MS in terms of numbers of compounds resolved, NMR spectroscopy offers advantages both on its own and coupled with MS. NMR data are highly reproducible and quantitative over a wide dynamic range and are unmatched for determining structures of unknowns. NMR is adept at tracing metabolic pathways and fluxes using isotope labels. Moreover, NMR is non-destructive and can be utilized in vivo. NMR results have a proven track record of translating in vitro findings to in vivo clinical applications.