基于指纹图谱结合化学模式识别对接骨草的质量评价

目的 建立接骨草Sambucus javanica的HPLC指纹图谱，并结合化学模式识别为接骨草药材质量评价及临床应用提供参考。方法 采用HPLC-DAD法，以乙腈-0.2%磷酸溶液梯度洗脱，建立接骨草指纹图谱，同时测定新绿原酸、绿原酸、隐绿原酸的含量；采用相似度评价、聚类分析（cluster analysis,CA）、主成分分析（principal component analysis,PCA）和正交偏最小二乘-判别分析（orthogonal partial least squares discriminant analysis,OPLS-DA）等化学模式识别对差异性特征成分进行筛选。结果 建立的指纹图谱方法符合方法学要求，17批接骨草药材HPLC指纹图谱共标定9个共有峰，相似度均大于0.9，通过聚类分析将不同产地接骨草分为3类，聚类分析与主成分分析结果一致；综合分析筛选绿原酸、隐绿原酸和新绿原酸作为接骨草有效成分，质量分数分别在0.060%～1.007%、0.014%～0.074%、0.004%～0.151%。结论 采用指纹图谱结合化学模式识别技术可快速、有效地筛选出接骨草的差异性...

Evaluation of quality markers of Sambucus javanica based on fingerprint and chemical pattern recognition

Objective To establish HPLC fingerprint of Sambucus javanica, combined with chemical pattern recognition, screening quality markers, to provide reference for the quality evaluation and clincal application of S. javanica.Methods HPLC-DAD was used to establish the fingerprint of S. javanica by gradient elutablion with acetonitrile 0.2% phosphoric acid solution, and the contents of neochloric acid, chlorogenic acid and cryptochlorogenic acid were determined at the same time. Chemical pattern recognition such as similarity evaluation, cluster analysis, principal component analysis and orthogonal partial least squares discriminant analysis were used to screen quality markers. Results The established fingerprint method meets the requirements of methodology. A total of nine common peaks are calibrated in the HPLC fingerprint of 17 batches of S. javanica, and the similarity is greater than 0.9. Elderberry from different producing areas are divided into three categories through cluster analysis. The results of cluster analysis with principal component analysis. Chlorogenic acid, cryptochlorgenic acid and neochlorogenic acid are selected as the Q-marker of S. javanica by comprehensive analysis, and the mass fraction are 0.060%-1.007%, 0.014%-0.074% and 0.004%-0.151% respectively. Conclusion Using finggerprint combined with chemical pattern recognition technology can quickly and effectively screen S. javanica Q-marker, which provides a reference for the quality evaluation and clinical application of S. javanica,.