Fiche publication
Date publication
mai 2021
Journal
Planta medica
Auteurs
Membres identifiés du Cancéropôle Est :
Dr NUZILLARD Jean-Marc
Tous les auteurs :
Bruguière A, Derbré S, Bréard D, Tomi F, Nuzillard JM, Richomme P
Lien Pubmed
Résumé
The growing use of herbal medicines worldwide requires ensuring their quality, safety, and efficiency to consumers and patients. Quality controls of vegetal extracts are usually undertaken according to pharmacopeial monographs. Analyses may range from simple chemical experiments to more sophisticated but more accurate methods. Nowadays, metabolomic analyses allow a fast characterization of complex mixtures. In the field, besides mass spectrometry (MS), nuclear magnetic resonance spectroscopy (NMR) has gained importance in the direct identification of natural products in complex herbal extracts. For a decade, automated dereplication processes based on C-NMR have been emerging to efficiently identify known major compounds in mixtures. Though less sensitive than MS, C-NMR has the advantage of being appropriate to discriminate stereoisomers. Since NMR spectrometers nowadays provide useful datasets in a reasonable time frame, we have recently made available MixONat, a software that processes C as well as distortionless enhancement by polarization transfer (DEPT)-135 and -90 data, allowing carbon multiplicity (i.e., CH, CH, CH, and C) filtering as a critical step. MixONat requires experimental or predicted chemical shifts () databases and displays interactive results that can be refined based on the user's phytochemical knowledge. The present article provides step-by-step instructions to use MixONat starting from database creation with freely available and/or marketed datasets. Then, for training purposes, the reader is led through a 30 - 60 min procedure consisting of the C-NMR based dereplication of a peppermint essential oil.
Référence
Planta Med. 2021 May 6;:
