Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.

Issue 22, 2017
Previous Article Next Article

NMR window of molecular complexity showing homeostasis in superorganisms

Author affiliations


NMR offers tremendous advantages in the analyses of molecular complexity, such as crude bio-fluids, bio-extracts, and intact cells and tissues. Here we introduce recent applications of NMR approaches, as well as next generation sequencing (NGS), for the evaluation of human and environmental health (i.e., maintenance of a homeostatic state) based on metabolic and microbial profiling and data science. We describe useful databases and web tools that are used to support these studies by facilitating the characterization of metabolites from complex NMR spectra. Because the NMR spectra of metabolic mixtures can produce numerical matrix data (e.g., chemical shift versus intensity) with high reproducibility and inter-institution convertibility, advanced data science approaches, such as multivariate analysis and machine learning, are desirable; therefore, we also introduce informatics techniques derived from heterogeneously measured data, such as environmental microbiota, for the extraction of submerged information using data science approaches. We summarize recent studies of microbiomes that are based on these techniques and show that, particularly in human studies, NMR-based metabolic characterization of non-invasive samples, such as feces, can provide a large quantity of beneficial information regarding human health and disease.

Graphical abstract: NMR window of molecular complexity showing homeostasis in superorganisms

Back to tab navigation

Article information

19 Jun 2017
23 Sep 2017
First published
26 Sep 2017

Analyst, 2017,142, 4161-4172
Article type
Critical Review

NMR window of molecular complexity showing homeostasis in superorganisms

J. Kikuchi and S. Yamada, Analyst, 2017, 142, 4161
DOI: 10.1039/C7AN01019B

Social activity

Search articles by author