多成分定量分析结合化学模式识别与熵权-TOPSIS法的三子散质量评价
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篇名: 多成分定量分析结合化学模式识别与熵权-TOPSIS法的三子散质量评价
TITLE: Quality evaluation of Sanzi powder based on quantitative analysis of multi-component combined with chemical pattern recognition and entropy weight-TOPSIS method
摘要: 目的 基于12种成分定量分析结合化学模式识别与熵权-逼近理想解排序(TOPSIS)法,对不同批次三子散的质量进行综合评价。方法采用高效液相色谱-串联质谱(HPLC-MS/MS)法测定15批(编号S1~S15)三子散中12种成分(没食子酸乙酯、没食子酸、阿魏酸、柯里拉京、京尼平-1-O-β-D-龙胆双糖苷、川楝素、栀子苷、咖啡酸、去乙酰车叶草苷酸甲酯、鞣花酸、芦丁、槲皮素)的含量,然后对含量测定结果进行聚类分析(CA)、主成分分析(PCA)和正交偏最小二乘-判别分析(OPLS-DA),并筛选三子散质量差异标志性成分。采用熵权法计算各指标成分的权重值,并利用TOPSIS法对15批三子散的质量进行优劣排序。结果12种成分的含量分别为13.494~24.292、2069.608~3188.100、1.410~3.616、1065.030~2630.584、1404.704~1838.078、101.640~354.268、9193.720~14777.854、1.240~5.060、1480.028~5541.990、4261.422~5607.438、107.560~195.512、2.226~4.192μg/g。CA、PCA、OPLS-DA结果显示,15批三子散可聚为2类,S3、S7、S10、S15聚为一类,其余批次聚为一类;栀子苷、槲皮素、咖啡酸和去乙酰车叶草苷酸甲酯的变量重要性投影值>1且P<0.05,是各批次三子散质量差异标志性成分。熵权-TOPSIS分析结果显示,去乙酰车叶草苷酸甲酯的信息熵最小、权重最大;S3、S7、S10、S15样品的相对贴近程度在0.789~0.973之间,而其余样品的相对贴近程度在0.054~0.172之间。结论所建立的HPLC-MS/MS法可准确测定三子散中12种成分的含量;去乙酰车叶草苷酸甲酯、栀子苷、槲皮素及咖啡酸是其质量差异标志性成分;S3、S7、S10、S15样品的整体质量优于其他批次样品,栀子饮片的质量是保证该制剂质量一致性的关键。
ABSTRACT: OBJECTIVE To comprehensively evaluate the quality of Sanzi powder from different batches based on 12 components quantitative analysis combined with chemical pattern recognition and entropy weight-TOPSIS method. METHODS The contents of 12 components in 15 batches of Sanzi powder (No. S1-S15) were determined by HPLC-MS/MS, such as ethyl gallate, gallic acid, ferulic acid, corilagin, genipin-1-O-β-D-gentiobioside, toosendanin, geniposide, caffeic acid, methyl deacetylated coumarinate, tannic acid, rutin, quercetin. Cluster analysis (CA), principal component analysis (PCA), and orthogonal partial least squares-discriminant analysis (OPLS-DA) were conducted on the assay results. Using variable importance projection (VIP) value>1 and P<0.05 as the evaluation criteria, the quality differential markers in Sanzi powder were screened. The entropy weight method was used to calculate the weight value, and TOPSIS method was used to rank the quality of 15 batches of Sanzi powder from superior to inferior. RESULTS The contents of the 12 components were 13.494-24.292, 2 069.608-3 188.100, 1.410-3.616, 1 065.030-2 630.584, 1 404.704-1 838.078, 101.640-354.268, 9 193.720-14 777.854, 1.240-5.060, 148.028-5 541.990, 4 261.422-5 607.438, 107.560- 195.512, 2.226-4.192 μg/g, respectively. The results of CA, PCA and OPLS-DA indicated that 15 batches of Sanzi powder could be clustered into two groups. Specifically, batches S3, S7, S10 and S15 were grouped into one category, and remaining batches were grouped into one category. VIP values of geniposide, quercetin, caffeic acid, and methyl deacetylated coumarinate were all greater than 1, with corresponding P-values less than 0.05. The results of the entropy weight-TOPSIS analysis revealed that methyl deacetylate exhibited the smallest information entropy and the highest weight. The relative closeness degrees of samples S3, S7, S10 and S15 ranged from 0.789 to 0.973, while the remaining samples ranged from 0.054 to 0.172. CONCLUSIONS The contents of 12 components in Sanzi powder could be determined accurately by using HPLC-MS/MS technology. Methyl deacetylated coumarinate, geniposide, quercetin and caffeic acid were identified as the quality differential markers. It was found that the overall quality of samples S3, S7, S10 and S15 were superior to that of other batches. Notably, the quality of Gardeniae Fructus decoction pieces emerges as a critical factor in ensuring the consistency of the preparation’s quality.
期刊: 2025年第36卷第15期
作者: 李荣杰;张谦;张微;李鑫奎;胡玉霞;张梦迪;刘静;王芳;周枫叶;李君
AUTHORS: LI Rongjie,ZHANG Qian, ZHANG Wei,LI Xinkui,HU Yuxia,ZHANG Mengdi,LIU Jing,WANG Fang,ZHOU Fengye,LI Jun
关键字: 三子散;质量评价;高效液相色谱-串联质谱;化学模式识别;熵权-TOPSIS法
KEYWORDS: Sanzi powder; quality evaluation; HPLC-MS/MS; chemical pattern recognition; entropy weight-TOPSIS method
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