基于ATR-FTIR结合化学计量学快速鉴别玉竹和黄精的实验研究

Rapid identification of Polygonatum odoratum and Polygonatum sibiricum based on attenuated total reflection-Fourier transform infrared spectroscopy and chemometrics: An experimental study

目的:采用衰减全反射傅里叶变换红外光谱法(ATR-FTIR)和化学计量学对同科同属易混淆药材玉竹和黄精进行鉴别。方法:采用ATR-FTIR获取样本的一级和二级红外指纹图谱,采用PLS-DA构建最佳图谱模型,并采用PCA、HCA等化学计量学对模型图谱基本特征进行分析。结果:玉竹和黄精红外图谱主要由蛋白质、脂类和糖类等吸收带组成,两者光谱相似,但在1200~700cm^-1处存在较小差异;在此范围对原图谱进行主成分分析发现,前3个主成分(集中在970cm^-1、990cm^-1和715cm^-1附近)对玉竹和黄精鉴别的正确率可达96.56%;在此范围对原图谱进行簇类分析发现,玉竹和黄精种内样本均具有一定地域特征性,但不影响整体鉴别效果。结论:采用ATR-FTIR并结合化学计量学可以快速准确鉴别玉竹和黄精,可为同属种植物鉴别提供理论依据。

Objective:To investigate the identification of Polygonatum odoratum and Polygonatum sibiricum in the same family and the same genus based on attenuated total reflection-Fourier transform infrared spectroscopy(ATR-FTIR)and chemometrics.Methods:ATR-FTIR was used to obtain the first-and second-order infrared fingerprints of samples,A partial least squares-discriminant analysis was used to establish the optimal spectrum model,and chemometrics methods including principal component analysis(PCA)and hierarchical cluster analysis(HCA)were used to analyze the characteristics of the model.Results:The infrared fingerprints of Polygonatum odoratum and Polygonatum sibiricum consisted of the absorption bands of proteins,lipids,and saccharides,and Polygonatum odoratum and Polygonatum sibiricum had similar fingerprints,with a small difference at 1200-700 cm^-1.PCA of the original spectrum within this range showed that the top three principal components(near 970 cm^-1,990 cm^-1,and 715 cm^-1)had an correct rate of 96.56%in the identification of Polygonatum odoratum and Polygonatum sibiricum.HCA of the original spectrum within this range showed regional characteristic of the samples of Polygonatum odoratum and Polygonatum sibiricum,which did not affect overall identification.Conclusion:ATR-FTIR combined with chemometrics can achieve rapid and accurate identification of Polygonatum odoratum and Polygonatum sibiricum and thus provides a theoretical basis for the identification of plants in the same genus.