升麻的^1H—NMR指纹图谱-模式识别研究

Classification of Cimicifuga species based on 1H-NMR fingerprint combined with pattern recognition technique

目的:建立一种基于1H-NMR指纹图谱-模式识别的不同品种升麻的鉴别方法。方法:以1H-NMR技术测定升麻中三萜皂苷类特征提取物的信息,并转化为数据矩阵,采用化学模式识别方法中的主成分分析(PCA)及判别偏最小二乘(DPLS)法进行识别分析。结果:1H-NMR指纹图谱-模式识别能够有效地鉴别不同品种的升麻样本。结论:1H-NMR指纹图谱-模式识别是一种有效的药材分类鉴别方法,可以作为药材质量控制的手段之一。

The metabolomic analysis of three Cimicifuga species was performed using 1H-NMR spectroscopy and pattern recog- nition （PR） techniques. A broad range of metabolites could be detected by 1 H-NMR spectroscopy without any chromatographic separa- tion. 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 i H-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.