Shen Li, Zhao Yan-Yan, Xie Hong-Ping, Liu Wan-Hui
School of Medicine and Pharmacy, Ocean University of China, Qingdao 266003, China.
Zhongguo Zhong Yao Za Zhi. 2013 Jan;38(2):217-22.
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.
采用氢核磁共振波谱法和模式识别（PR）技术对三种升麻属植物进行了代谢组学分析。通过氢核磁共振波谱法无需任何色谱分离即可检测到多种代谢物。利用主成分分析（PCA）和判别偏最小二乘法（DPLS）对氢核磁共振谱进行分析，结果表明，臭升麻与其他两种升麻属植物之间存在明显差异。造成这种差异的主要代谢物是三萜皂苷和糖类。这些结果表明，氢核磁共振波谱法和模式识别相结合为升麻属植物的化学分类分析和鉴定提供了一种有用的工具，可用于植物材料的质量控制。
