目的 建立復方傷痛膠囊的指紋圖譜，并結(jié)合多元變量統(tǒng)計方法發(fā)現(xiàn)潛在的關(guān)鍵質(zhì)控成分。方法 采用Waters超高效液相色譜（UPLC）儀，色譜柱為Acquity UPLC^® HSS T3，流動相為乙腈-0.1%甲酸水，采用梯度程序洗脫，檢測器波長設置參數(shù)為280 nm，共建立20批復方傷痛膠囊的指紋圖譜。采用聚類分析、主成分分析及正交偏最小二乘法-判別分析（OPLS-DA）對圖譜數(shù)據(jù)進行模式識別分析，篩選出關(guān)鍵質(zhì)控成分，并經(jīng)過化學指認。結(jié)果 共有27個色譜峰被標定，20批藥物的整體相似度大于0.88，顯示藥物質(zhì)量總體相對穩(wěn)定；但基于聚類分析及主成分分析初步發(fā)現(xiàn)不同批次藥物也存在微小差異，能夠區(qū)分成兩大類；進一步基于OPLS-DA發(fā)現(xiàn)了導致藥物質(zhì)量微小差異的7種主要成分，即關(guān)鍵質(zhì)控成分；通過對照品對以上成分進行確認，分別為沒食子酸、綠原酸、延胡索乙素、柚皮苷、大黃酸、Z-藁本內(nèi)酯和大黃素甲醚。結(jié)論 建立的指紋圖譜結(jié)合多元變量統(tǒng)計方法，可科學、系統(tǒng)地評價復方傷痛膠囊的藥物批次質(zhì)量，發(fā)現(xiàn)關(guān)鍵質(zhì)控成分，同時能夠為中藥相關(guān)質(zhì)控研究提供一定的研究思路。

Objective To establish the digital fingerprint of Fufang Shangtong Capsule, and discover the potential key quality control components by multivariate statistical method. Methods Ultra-high performance liquid chromatography instrument and ACQUITY UPLC^® HSS T3 chromatographic column was employed, the separation was performed with the mobile phase consisting of acetonitrile and 0.1% formic acid aqueous solution, and the detection wavelength was set at 280 nm to establish the UPLC fingerprint of Fufang Shangtong Capsules. Cluster analysis, principal component analysis and orthogonal partial least-squares method-discriminant analysis (OPLS-DA) were used to carry out pattern recognition analysis on the map data, screen out the key quality control components, and confirm the components through chemical identification. Results In this research, 27 peaks were recognised as common peaks in the fingerprint. The similarity value of the drugs were all above 0.88, indicating a relatively stable quality of the quality. Little difference was then discovered between the batches of the drug by cluster analysis and principal component analysis, which could be divided into two categories. Finally, gallic acid, chlorogenic acid, rotundine, naringin, rhein, Zartemolactone and emodin methyl ether were recognised as the key quality control components using a OPLS-DA method. Conclusions The analysis method established in this study was scientific, accurate, reliable and simple; the drug quality of Fufang Shangtong Capsules could be evaluated systematicly and comprehensively using a fingerprint combined with chemical pattern recognition technique; what's more, it will also lay a solid theoretical basis for the further quality control of traditional Chinese medicine and its preparations at the same time.

R284.1

河南省科技攻關(guān)計劃（202102310191）