Review on NMR as a tool to analyse natural products extract directly: Molecular structure elucidation and biological activity analysis

Abstract

IntroductionNatural products, the small organic molecules produced by plants, microbes and invertebrates, often present in the form of a mixture, this leads to the structural characterisation of natural extracts often requiring time‐consuming multistep purification procedures. Nuclear magnetic resonance (NMR) technology is traditionally utilised as a tool for the structural elucidation of pure compounds. Contemporarily, an up‐to‐date trend in the application of NMR in natural product research is shifting to the direct NMR analysis of crude mixtures, to obtain molecular structure and biological activity information without performing cumbersome separation.ObjectiveTo review works of literature on the evolution, principle and progress of NMR technologies for analysing mixtures, we focus on the successful application of NMR technologies in direct analysis of natural product extracts.MethodologyBased on our research experience, academic tracking and extensive literature search, which involved, but not limited to, the use of various databases, like Web of Knowledge and PubMed. The keywords used, in various combinations, to retrieve recent literature on the successful application of NMR technologies to sheer natural product extracts, and excluded artificially natural product mixture and biofluid.ResultsNMR technologies for direct natural extracts analysis, including two‐dimensional J‐resolved spectroscopy (2D‐JRES), pure shift NMR, diffusion‐ordered NMR spectroscopy (DOSY), statistical correlation spectroscopy (STOCSY), concentration‐ordered NMR spectroscopy (CORDY), saturation transfer difference (STD) and water‐ligand observed via gradient spectroscopy (WaterLOGSY) were illustrated.ConclusionsBy these methods, molecular structure and biological activity information will be directly obtained from NMR analysis of natural products extract, aiming to save experimental time and expenses.

Exploring the Significance, Extraction, and Characterization of Plant-Derived Secondary Metabolites in Complex Mixtures

“…Multiplicity information cannot be efficiently collected in complex mixtures or natural product extracts, due to overlapping signals. Alternatively, 2D-JRES can be used to achieve homonuclear decoupled spectra [55]. Computer-assisted structure elucidation (CASE) has been developed for chemical structure elucidation using 1D and 2D NMR data [56].…”