NMR-Based Metabolomics

Metabolomics is the scientific field that performs large-scale profiling of metabolites in biological samples. Metabolomics has started to play a key role in understanding metabolism, as well as the discovery of biomarkers and the clarification of novel gene functions. The discipline has seen great growth over the past decades, mostly due to technological advancements in analytical and computational tools. However, a major challenge remains in the large-scale confident identification of metabolites.

Nuclear magnetic resonance spectroscopy (NMR) is a popular analytical technique used for metabolomics studies. NMR can provide highly qualitative as well as quantitative information and as such, it can be used to reveal the entire structure of a compound and its quantity in biological extracts. Typically, NMR requires simple sample preparations. Further to providing detailed structural information on a single molecule, NMR offers potential of in vivo observations and results that can be used to generate metabolic profiles for metabolomics investigations of an entire organism. In addition, NMR has been used to monitor fluctuations of detected metabolite concentrations during natural disease progression or different treatment stages. At present, all types of biological samples from biofluids, tissue extracts, to intact tissues have been investigated using NMR. Moreover, NMR has played an important role in determining structures of natural products derived from various living systems. Because NMR is quite selective, it can resolve many isomers. The use of stable isotope resolved metabolomics is another strategy in which NMR can provide positional labelling, of relevance in metabolism studies, assessing pathway turnover or fluxes.

This Research Topic aims to highlight the significance of NMR in the metabolomics field. We welcome Original Research, Reviews, and other article types presenting new developments, recent advances and future perspectives concerning metabolomics research with NMR.

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Dr. Sofia Moco is an inventor of several patents and Dr. Justin J.J. van der Hooft is currently member of the Scientific Advisory Board of NAICONS Srl., Milano, Italy. All other members of the Editorial Team declare no competing interests.