NMR Techniques in Metabolomic Studies: A Quick Overview on Examples of Utilization

Abstract

Metabolomics is a rapidly developing branch of science that concentrates on identifying biologically active molecules with potential biomarker properties. To define the best biomarkers for diseases, metabolomics uses both models (in vitro, animals) and human, as well as, various techniques such as mass spectroscopy, gas chromatography, liquid chromatography, infrared and UV–VIS spectroscopy and nuclear magnetic resonance. The last one takes advantage of the magnetic properties of certain nuclei, such as 1H, 13C, 31P, 19F, especially their ability to absorb and emit energy, what is crucial for analyzing samples. Among many spectroscopic NMR techniques not only one-dimensional (1D) techniques are known, but for many years two-dimensional (2D, for example, COSY, DOSY, JRES, HETCORE, HMQS), three-dimensional (3D, DART-MS, HRMAS, HSQC, HMBC) and solid-state NMR have been used. In this paper, authors taking apart fundamental division of nuclear magnetic resonance techniques intend to shown their wide application in metabolomic studies, especially in identifying biomarkers.

Metabolomics in the Context of Plant Natural Products Research: From Sample Preparation to Metabolite Analysis

“…Another exciting application of NMR spectroscopy is the analysis of semi-solid samples such as fresh plant leaf or intact tissues via the implementation of high resolution solid state magic angle spinning (HR-MAS) NMR [147]. In this technique, the sample is mixed with a minimal volume of solvent.…”

Evaluation of heavy metals and metabolites in the urine of patients with breast cancer

“…Metabolomics is one of the newest 'omics' sciences that has been recently developed to determine novel biomarkers for multiple human diseases/disorders, and that could be used to understand the underlying mechanisms of cancer development (7). It has been reported that metabolome changes can reflect the pathophysiological status of biological systems, such as in ovarian and liver cancer (8).…”

Recognition of Multiomics-Based Molecule-Pattern Biomarker for Precise Prediction, Diagnosis, and Prognostic Assessment in Cancer

“…The untargeted metabolomics is different from targeted method, which shows in these aspects, such as no hypothesis-driven strategy, and the whole comprehensive study variations of metabolome in a biological system without bias for exploration of metabolite biomarkers for impactful prediction, diagnosis, and prognostic assessment [80,96]. The current techniques used to qualify and quantify the metabolomic variations are nuclear magnetic resonance (NMR)-based methods and mass spectrometry (MS)-based methods [88,[100][101][102]. NMR-based methods involve one-dimensional NMR (1D-NMR), two-dimensional NMR (2D-NMR), and three-dimensional NMR (3D-NMR).…”

“…NMR-based methods involve one-dimensional NMR (1D-NMR), two-dimensional NMR (2D-NMR), and three-dimensional NMR (3D-NMR). The way to provide chemical structural and molecular environment information is utilizing the interaction of spin active nuclei ( 13 C, 1 H, 31 P, 19 F) with electromagnetic fields [100,101]. NMR-based methods possess many advantages, including nondestruction of sample, minimal sample preparation, high reproducibility, relative high throughput, availability of databases, and availability of molecular dynamic and compartmental information with diffusional methods.…”