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基于主成分分析和模糊聚类分析的不同生长年限当归13C核磁共振特征图谱
Research on 13C NMR fingerprint of Angelica sinensis from different growing years based on principle component analysis and fuzzy cluster analysis
【摘要】 目的:利用13C核磁共振(NMR)特征图谱和化学模式识别建立不同生长年限当归的鉴别与质量评价方法。方法:利用对照品图谱和参考文献对特征图谱中特征信号峰进行初步归属,采用主成分分析(PCA)与模糊聚类分析(FCA)进行研究。结果:PCA与FCA均能将27批不同生长年限当归样本完全分开,1年生与2年生当归13C NMR特征图谱相似性较强,但与3年生当归有明显差异,阿魏酸、藁本内酯、3-正丁基苯酞及部分糖类是引起不同生长年限当归13C NMR特征图谱差异的主要化学成分。结论:本研究建立的13C NMR特征图谱结合PCA、FCA能够快速、准确地对不同生长年限当归进行鉴别与质量评价。
【Abstract】 OBJECTIVE To establish an identification and quality evaluation method of Angelica sinensis from different growing years based on13 C NMR fingerprint and chemical pattern recognition. METHODS The characteristic signal peaks in13 C NMR fingerprint were preliminarily assigned by13 C NMR spectra of reference substance and references,and principal component analysis( PCA) coupled with fuzzy cluster analysis( FCA) was used for analysis. RESULTS The results showed that 27 batches of samples can be completely classified by PCA and FCA. The13 C NMR fingerprint of 1-year-old samples and 2-year-old samples had strong similarities,but both of them had significant differences with 3-year-old samples. Ferulic acid,ligustilide,3-butylphthalide and some of sugars were the main compositions which caused these differences. CONCLUSION The established13 C NMR fingerprint combined with PCA and FCA can be used for identification and quality evaluation of Angelica sinensis from different growing years.
【Key words】 13C NMR; fingerprint; Angelica sinensis; different growing years; principal component analysis; fuzzy cluster analysis;
- 【文献出处】 中国医院药学杂志 ,Chinese Journal of Hospital Pharmacy , 编辑部邮箱 ,2014年24期
- 【分类号】O482.532
- 【被引频次】5
- 【下载频次】351