指纹图谱技术结合化学计量学方法鉴别制首乌产地的研究

Study on the Identification of the Origin of Polygoni multiflori Radix Praeparata Combining Fingerprint Spectrum Technology with Chemometrics Methods

目的建立一种指纹图谱技术结合化学计量学方法的制首乌产地快速鉴别方法。方法建立33批不同产地制首乌的指纹图谱并对其进行相似度评价,对色谱峰信息进行偏最小二乘判别法分析(PLS-DA)和线性判别分析。结果以对照指纹图谱为参照,不同批次药材间化学成分及含量差异较小,采用指纹图谱结合相似度的评价方法无法对其产地进行区分;选取PLS-DA分析法,基于变量权重重要性排序(VIP)值确定其中的差异标志物,由此建立不同产地制首乌的线性判别函数模型并对不同产地制首乌进行预测,模型对测试集的验证结果良好。结论指纹图谱技术结合化学计量学方法可作为一种有效鉴别不同产地制首乌的方法。

OBJECTIVE To establish a rapid identification method for the origin of Polygoni multiflori Radix Praeparata using fingerprint technology combined with chemometrics methods.METHODS Establishment of fingerprint profiles for 33 batches of Polygonum multiflorum from different geographical origins and evaluation of their similarity,followed by analysis of chromatographic peak information using partial least squares discriminant analysis(PLS-DA)and linear discriminant analysis.RESULTS By comparing the fingerprint profiles,the chemical composition and content differences between different batches of herbal medicines were relatively small.The evaluation method combining fingerprinting and similarity could not distinguish their origins.PLS-DA method was selected to determine the differential markers based on the ranking of variable importance in projection(VIP)values.Thus,a linear discriminant function model was established for predicting Polygoni multiflori Radix Praeparata from different production areas,and the model showed good validation results on the test set.CONCLUSION The combination of fingerprint technology and chemometrics methods can be used as an effective method to distinguish the origin of Polygoni multiflori Radix Praeparata from different regions.