天然产物研究与开发 Nat Prod Res Dev 2024,31 ： 1697-1703,1763UPLC指纹图谱结合化学模式识别评价白芷药材质量陈琳唐志书\，刘妍如1,宋忠兴1,孔馨逸1,魏思敏1,孙 琛1,鞠 浩彳1陕西省中药资源产业化协同创新中心秦药特色资源研究开发国家重点实验室(培育)陕西省创新药物研究中心，咸阳712083；
彳陕西中医药大学药学院，西安712046摘 要:为建立白芷药材UPLC指纹图谱测定方法,并用于白芷药材的质量评价。研究采用Waters UPLC超高效液
相色谱仪,ACQUITY UPLC BEH C18(50 mmx2.1 mm,1.7 Jim)色谱柱，以乙睛-水为流动相进行梯度洗脱，检测波长 254 nm,建立10批白芷药材的UPLC指纹图谱。采用对照品化学指认，并结合相似度评价、聚类分析(CA)、主成分
分析(PCA)和正交偏最小二乘法-判别分析(OPLS-DA)等模式识别技术，对不同产地和处理方式的白芷药材的总体
质量进行分析评价。建立的指纹图谱方法符合方法学要求，指纹图谱共标定22个共有峰，经对照品进行化学指认共
鉴定了其中10个色谱峰;通过相似度评价、CA、PCA结果可知不同产地白芷药材质量有差异,且硫磺熏蒸对白芷药 材品质有较大影响;最后采用OPU-DA和组间差异性分析，筛选出了导致白芷药材质量差异的主要标志性成分。本
研究建立的指纹图谱结合化学模式识别方法可用于白芷药材的质量控制和品质评价。关键词：白芷;UPLC ；指纹图谱;化学模式识别;聚类分析;主成分分析;正交偏最小二乘法-判别分析中图分类号:R917
D01：10.16333/j. 1001-6880.2024.10.005文献标识码:A 文章编号：1001-6880 (2024 )10-1697-08Quality control research of Angelica dahurica base on UPLC fingerprint combined with chemical pattern recognitionCHEN Lin1'2 JANG Zhi-shu1 ** ,LIU Yan-ru1, SONG Zhong-xing1, KONG Xin-yi1 ,WEI Si-min1 ,SUN Chen1 ,JU Hao2
1 Shaanxi Collaborative Innovation Center of Chinese Medicine Resources Industrialization, State Key Laboratory of Research & Development of Characteristic Qin Medicine Resources ( Cultwation) ,Shaanxi Innovative Drug Research Center,Xianyang 712083, China ；
2 College of Pharmacy, Shaanxi University of Chinese Medicine 712046, ChinaAbstract: To establish the UPLC fingerprint of Angelica dahurica, and to evaluate the quality of A, dahurica. Ultra-high per-
formance liquid chromatography (UPLC) instrument and ACQUITY UPLC BEH C18(50 mm x2? 1 mm, 1.7 |xm) chromato-
graphic column was employed, the separation was perfonned with the mobile phase consisting of acetonitrile and water, and the detection wavelength was set at 254 nm to establish the UPLC fingerprint of ten batches of 4. dahurica. Then, the further qual-
ity assessment of the drug from different medicinal origin and treatment was carried out by chemical identification of reference
substance combined with similarity evaluation, cluster analysis ( CA) , principal component analysis ( PCA) , and orthogonal
partial least squares discriminant analysis ( OPLS-DA). The method for fingerprint analysis was in agreement with methodo-logical requirements. A total of 22 peaks were recognized as common peaks in the fingerprint, 10 peaks were identified using
reference substance. There was difference between the batches from different medicinal origin by similarity evaluation, CA and
PCA. Sulfur fumigation had great influence on the quality of A. dahuricae. Finally, OPLS-DA method and inter-group differ-ence analysis were used to select the main markers leading to the quality difference of A. dahurica. The validated UPLC fin-
gerprint combined with chemical pattern recognition method can be used in the quality control and evaluation of A. dahurica.
Key words ?Angelica dahurica ； UPLC ；fingerprint analysis ； chemical pattern recognition ； CA ； PGA ； OPLS-DA白芷为伞形科植物白芷Angelica dahurica
收稿日期：2024-03-12 接受日期：2024-09-24基金项目:陕西省教育厅项目(18JK0211);国家自然科学基金
(817739 19 )；陕西省科技统筹创新工程计划 (2015KZDSF02-05-02)；陕西省教育厅项目(16JK1211)* 通信作者 Tel: 86-29-38185060 ； E-mail: tzs6565@ 163. com(Fisch, ex Hoffm. ) Benth. et Hook. F 或杭白芷 4.
dahurica( Fisch? ex Ho伍n. ) Benth. et Hook. F. var. for- mosana (Boiss. )Shan et Yuan 的干燥根，其性辛、温，
归胃、大肠、肺经，始载于《神农本草经》⑴。临床应
UPLC指纹图谱结合化学模式识别评价白芷药材质量 - 论文
