title: [Classification of Cimicifuga species based on 1H-NMR fingerprint combined with pattern recognition technique].
abstract: The metabolomic analysis of three Cimicifuga species was performed using H-NMR spectroscopy and pattern recognition (PR) techniques. A broad range of metabolites could be detected by 'H-NMR spectroscopy without any chromatographic separation. The analysis using principal component analysis (PCA) and discriminant partial least square (DPLS) of the 1H-NMR spectrum showed a clear discrimination between C. foetida and the other two species. The major metabolites responsible for the discrimination were triterpenoid saponins and saccharides. These results indicated that the combination of 1H-NMR and PR provides a useful tool for chemotaxonomic analysis and authentification of Cimicifuga species, and could used for the quality control of plant materials.
authors.affiliation: School of Medicine and Pharmacy, Ocean University of China, Qingdao 266003, China.
authors.forename: Li
authors.initials: L
authors.lastname: Shen
authors.forename: Yan-Yan
authors.initials: YY
authors.lastname: Zhao
authors.forename: Hong-Ping
authors.initials: HP
authors.lastname: Xie
authors.forename: Wan-Hui
authors.initials: WH
authors.lastname: Liu
mesh_terms: D031885:Cimicifuga / Q000145:classification*; D016002:Discriminant Analysis; D004365:Drugs, Chinese Herbal / Q000145:classification / Q000592:standards*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D055432:Metabolomics / Q000379:methods*; D010363:Pattern Recognition, Automated; D025341:Principal Component Analysis; D011522:Protons; D012503:Saponins / Q000302:isolation & purification*; D014315:Triterpenes / Q000302:isolation & purification*
chemical_list: D004365:Drugs, Chinese Herbal; D011522:Protons; D012503:Saponins; D014315:Triterpenes