~1H-NMR指纹图谱技术结合多元统计分析鉴别不同产地的大花红景天

Identification of Rhodiola crenulata from Different Habitats by ~1H-NMR Fingerprint Technique Combined with Multivariate Statistical Analysis

目的:建立一种基于~1H-NMR指纹图谱技术结合多元统计分析对不同产地的大花红景天进行有效分类与鉴别的方法。方法:利用傅立叶变换核磁共振波谱仪采集7个不同产地40批次的大花红景天~1H-NMR指纹图谱,将~1H-NMR指纹图谱处理转化为数据矩阵,结合相似度评价和多元统计分析方法中的层序聚类分析(HCA)、无监督的主成分分析(PCA)、有监督的偏最小二乘法判别分析(PLS-DA)和正交偏最小二乘法判别分析(OPLS-DA)进行多元统计分析。结果:~1H-NMR指纹图谱技术结合多元统计分析方法能够对7个不同产地的大花红景天进行准确分类、鉴别,其中有监督的PLS-DA和OPLS-DA的分析结果优于无监督的PCA分析,OPLS-DA的分类与鉴别效果最优,并且OPLS-DA在对两组数据的分类、鉴别方面有独特的优势。结论:~1H-NMR指纹图谱技术结合多元统计分析方法可以作为一种有效分类、鉴别不同产地大花红景天的方法。

Objective:To establish a method based on ~1H-NMR fingerprint combined with multivariate statistical analysis to efficiently classify and identify Rhodiola crenulata from different habitats.Methods:The ~1H-NMR fingerprint of 40 batches of Rhodiola crenulata from seven different habitats were collected using the fourier transform nuclear magnetic resonance spectrometer,and the fingerprint were processed into data matrixes.The similarity evaluation,hierarchical cluster analysis(HCA),unsupervised principal component analysis(PCA),supervised partial least squares discriminant analysis(PLS-DA)and orthogonal partial least squares discriminant analysis(OPLS-DA)of multivariate statistical analysis were used for multivariate statistical analysis.Results:~1H-NMR fingerprint combined with multivariate statistical analysis could accurately classify and identify Rhodiola crenulata from seven different habitats.The analysis results of supervised PLS-DA and OPLS-DA were superior to unsupervised PCA analysis,and OPLS-DA had the best result of classification and discrimination.Other than,OPLS-DA had unique advantages in the classification and discrimination of two groups datum.Conclusion:~1H-NMR fingerprint combined with multivariate statistical analysis method can be used as an effective method to classify and identify Rhodiola crenulata from different habitats.