基于UPLC指纹图谱结合化学模式识别的复方血栓通胶囊质量控制研究

目的： 采用UPLC法建立复方血栓通胶囊的指纹图谱,并结合化学模式识别技术对其进行系统、全面和科学的质量评价。方法： 采用Waters UPLC超高效液相色谱仪,ACQUITY UPLC^® HSS T3色谱柱,以乙腈-0.1%甲酸水为流动相进行梯度洗脱,检测波长为256 nm,建立10批次复方血栓通胶囊的指纹图谱。通过相似度分析并结合聚类分析（CA）、主成分分析（PCA）及正交偏最小二乘法-判别分析（OPLS-DA）等模式识别技术对复方血栓通胶囊的总体质量进行分析评价。结果： 建立的指纹图谱共标定67个共有峰,经对照品进行化学指认并鉴定了其中的12个色谱峰。10批供试品的相似度均大于0.96,表明该药物总体质量较为稳定;但通过CA及PCA均发现不同批次药物质量之间仍然存在有微小差异,且主要分为两大类,最后进一步采用OPLS-DA筛选出了导致批次药物质量差异的7个共有峰。结论： 本研究建立的分析方法科学、准确、可靠且简便易行,指纹图谱结合化学模式识别技术可更加系统、全面地评价复方血栓通胶囊的药物质量。

Quality control research of compound Xueshuantong capsules based on UPLC fingerprint combined with chemical pattern recognition

OBJECTIVE To establish the UPLC fingerprint of compound Xueshuantong capsules and conduct a systemic, comprehensive quality evaluation of the drug using a chemical pattern recognition method.METHODS Ultra-high performance liquid chromatography instrument and ACQUITY UPLC^® HSS T3 chromatographic column were 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 256 nm to establish the UPLC fingerprint of Compound Xueshuantong Capsules. Then, the further quality assessment of the drug was carried out by similarity evaluation, cluster analysis (CA), principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA).RESULTS In this research, 67 peaks were recognized as common peaks in the fingerprint, 12 peaks were identified using standard references. The similarity value of the drugs was all above 0.96, indicating a relatively stable quality of the drugs. Little difference was then discovered between the batches of the drug by CA and PCA. Finally, 7 peaks were recognized as the quality markers using a OPLS-DA method.CONCLUSION The analysis method established in this study is scientific, accurate, reliable and simple. The drug quality of compound Xueshuantong capsules can be evaluated comprehensively using a fingerprint combined with chemical pattern recognition technique.