基于指纹图谱、化学模式识别及多成分定量评价十一方药酒质量

目的:基于HPLC指纹图谱、化学模式识别及多指标同时定量的方法研究不同批次十一方药酒,为该制剂的质量评价提供参考。方法:建立11批十一方药酒样品的HPLC指纹图谱,并对其进行相似度评价、主成分分析(principal component analysis,PCA),采用偏最小二乘-判别分析(partial least square-discriminate analysis,PLS-DA)考察不同批次十一方药酒的差异性成分。采用HPLC多波长法对6种化学成分进行含量测定。结果:建立的指纹图谱标定33个共有色谱峰,相似度0.977~0.997,共指认12个色谱峰。PCA将样品分成2类,通过PLS-DA,表明差异性成分共16个,包含定量分析的6个成分。含量测定中各色谱峰分离度较好,线性关系良好(r≥0.999 4),平均加样回收率95.34%~102.41%,RSD≤2.90%。结论:该研究建立的HPLC指纹图谱及含量测定方法准确、简单,可为十一方药酒提供质量评价。

Quality evaluation of Shiyifang Vinum based on fingerprint,chemical pattern recognition and multi-component determination

OBJECTIVE To study Shiyifang Vinum with different batches based on HPLC fingerprint, chemical pattern recognition and simultaneous determination of multiple indexes, so as to provide reference for effective quality evaluation of the preparation.METHODS HPLC fingerprints of 11 batches of Shiyifang Vinum samples were established, and then the further assessment of 11 batches of samples were carried out by similarity evaluation and principal component analysis (PCA), and partial least squares-discriminant analysis (PLS-DA) was used to find the different components in different batches of Shiyifang Vinum. HPLC multi-wavelength method was used to determine 6 chemical constituents simultaneously.RESULTS A total of 33 common chromatographic peaks were calibrated by the fingerprints of Shiyifang Vinum samples with the similarity between 0.977 and 0.997, and 12 common peaks of them were identified. The samples were classified into two categories by PCA. PLS-DA showed that there were 16 differential components, including 6 components for quantitative analysis. The chromatographic peak separation degree and linear relationship were good(r≥0.999 4), the average recoveries were 95.34%-102.41%, and the RSDs were ≤2.90%.CONCLUSION The established HPLC fingerprint and content determination method for Shiyifang Vinum are accurate and simple, which can provide reference for its quality evaluation.