基于UPLC指纹图谱结合化学模式的党参质量标志物预测分析

Prediction and Analysis of Quality Markers of Codonopsis Radix by UPLC Fingerprint and Chemometric Analysis

目的:建立党参药材的UPLC指纹图谱,结合化学计量学方法进行分析,对党参的质量标志物(Q-Marker)进行预测分析,为党参的质量评价提供科学依据。方法:采用ACQUITY UPLC®BEH C18色谱柱(2.1 mm×100 mm,1.7μm),以乙腈-0.1%磷酸水溶液为流动相,梯度洗脱,流速0.3 mL·min-1,检测波长267 nm,柱温30℃,进样量2μL。采用高效液相色谱仪,使用Agilent ZORBAX SB-C18色谱柱和乙腈-0.1%磷酸水溶液进行梯度洗脱,建立21批党参样品的UPLC指纹图谱并进行相似度评价,采用聚类分析(HCA)、主成分分析(PCA)和正交偏最小二乘判别分析(OPLSDA)等化学计量学方法筛选出主要差异性成分,预测党参药材的Q-Marker。结果:建立了党参药材UPLC指纹图谱,确认了16个共有峰,通过对照品共指认出7个共有峰,分别为腺苷、色氨酸、紫丁香苷、绿原酸、党参苷Ⅰ、党参炔苷、白术内酯Ⅲ,指纹图谱相似度均大于0.85,经HCA、PCA和OPLSDA筛选出党参苷Ⅰ、党参炔苷、腺苷及色氨酸为不同产地党参药材的重要差异性成分,可作为党参潜在的Q-Marker。结论:通过指纹图谱结合化学计量学分析预测了党参药材潜在的Q-Marker,为党参质量评价提供一定的参考。

Objective:To establish the UPLC fingerprints of Codonopsis Radix and analyze it combined with the chemometric method,to predict and analyze the quality markers(Q-Marker)of Codonopsis Radix in order to provide a scientific basis for the quality of Codonopsis Radix.Methods:HPLC was launched on a ACQUITY UPLC®BEH C18 column(2.1 mm×100 mm,1.7μm)by gradient elution with a mobile phase of acetonitrile-0.1%phosphoric acid aqueous solution at a flow rate of 0.3 mL·min-1,detection wavelength of 267 nm,column temperature of 30℃,and an injection volume of 2μL.Gradient elution was performed using Agilent ZORBAX SB-C18 column and acetonitrile-0.1%phosphoric acid aqueous solution by HPLC.The UPLC fingerprints of 21 batches of Codonopsis Radix were established and the similarity was evaluated.The main diff erential components were screened by chemometric methods such as cluster analysis(HCA),principal component analysis(PCA)and orthogonal partial least squares discriminant analysis(OPLS-DA),and the Q-Marker of Codonopsis Radix was predicted.Results:The UPLC fingerprint of Codonopsis Radix was established,and 16 common peaks were confirmed,and 7 common peaks were identified by reference products,which were Adenosine,Tryptophan,Syringin,Chlorogenic Acid,TangshenosideⅠ,Lobetyolin and AtractylenolideⅢ.The similarity of fingerprints was greater than 0.85.Using HCA,PCA and OPLS-DA,TangshenosideⅠ,Lobetyolin,Adenosine and Tryptophan were identified as important differential components of Codonopsis Radix from different regions.These components could be used as potential Q-Marker of Codonopsis Radix.Conclusion:The potential Q-Marker of Codonopsis Radix is predicted by fingerprint combined with chemometrics analysis,which provided a reference for quality evaluation of Codonopsis Radix.