一测多评法结合指纹图谱和化学模式识别分析在西黄丸质量评价中的应用
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篇名: 一测多评法结合指纹图谱和化学模式识别分析在西黄丸质量评价中的应用
TITLE: Application of quantitative analysis of multi -components by single marker combined with fingerprint and chemical pattern recognition analysis in the quality evaluation of Xihuang pills
摘要: 目的 评价西黄丸的质量,并筛选影响其质量的差异标志物。方法以麝香酮为内参物,采用一测多评(QAMS)法测定α-蒎烯等4个成分的含量,并与外标法进行比较;采用气相色谱(GC)法建立13批西黄丸的指纹图谱;采用SPSS25.0软件、SIMCA14.1软件进行聚类分析、正交偏最小二乘法-判别分析,以变量重要性投影(VIP)值大于1为标准筛选影响样品质量的差异标志物。结果QAMS法测得α-蒎烯、乙酸辛酯、β-榄香烯含量分别为0~0.6284、0.3780~2.6794、0.3209~0.8154mg/g,外标法测得α-蒎烯、乙酸辛酯、β-榄香烯、麝香酮含量分别为0.0015~0.6271、0.3780~2.5947、0.3292~0.8370、0.3857~0.8060mg/g,两种方法测得含量的相对误差均小于4%。13批西黄丸中共识别出26个共有峰,共指认了乙酸辛酯、β-榄香烯、麝香酮3个共有峰;相似度为0.912~0.946。13批样品可分为2类,S1~S2、S6~S10、S13为一类,S3~S5、S11~S12为一类。峰7、11、10、17、16的VIP值均大于1。结论西黄丸中α-蒎烯等4个成分的含量,结合GC指纹图谱和化学模式识别分析可用于评价西黄丸的质量。峰7等5个共有峰对应的成分可能是影响样品质量的差异标志物。
ABSTRACT: OBJECTIVE To evaluate the qualit y of Xihuang pills ,and to screen the differential markers affecting its quality . METHODS Using muskone as internal reference ,the content of α-pinene and other 4 components were determined by quantitative analysis of multi -components by single marker (QAMS),and compared with the results of external standard method . The fingerprints of 13 batches of Xihuang pills were established by gas chromatography (GC)method. Cluster analysis (CA)and orthogonal partial least squares discriminant analysis (OPLS-DA) were performed by SPSS 25.0 software and SIMCA 14.1 software. The variable importance projection (VIP)value greater than 1 was used as the standard to screen differential markers affecting the quality of the samples . RESULTS The contents of α-pinene,octyl acetate and β-elemene measured by QAMS were 0- 0.628 4,0.378 0-2.679 4 and 0.320 9-0.815 4 mg/g,respectively. The contents of α-pinene,octyl acetate ,β-elemene and musk ketone measured by external standard method were 0.001 5-0.627 1,0.378 0-2.594 7,0.329 2-0.837 0 and 0.385 7-0.806 0 mg/g, respectively. The relative error of the content determination results of the two methods was less than 4%. There were 26 common peaks in 13 batches of Xihuang pills ,and 3 common peaks ,such as octyl acetate ,β-elemene and musk ketone ,were identified ; their similarities were 0.912-0.946. 13 batches of samples could be divided into two categories (S1-S2,S6-S10,S13 were clustered into one category and S 3-S5,S11-S12 were clustered into one category ). VIP values of peak 7,11,10,17 and 16 were all greater than 1. CONCLUSIONS The content of 4 components such as α-pinene in Xihuang pills combined with GC fingerprint and chemical pattern recognition analysis can be used to evaluate the quality of Xihuang pills . The components corresponding to 5 common peaks such as peak 7 may be differential markers affecting the quality of the samples .
期刊: 2022年第33卷第18期
作者: 刘凯丽,刘艳之,王世晖,卫春红,王秀文,王颖莉,王艳
AUTHORS: LIU Kaili,LIU Yanzhi ,WANG Shihui ,WEI Chunhong ,WANG Xiuwen ,WANG Yingli,WANG Yan
关键字: 西黄丸;一测多评法;含量测定;气相色谱指纹图谱;化学模式识别分析
KEYWORDS: Xihuang pills ;QAMS;content determination ;
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