小承气汤饮片(水煎液、颗粒)的UPLC指纹图谱相关性研究

Study on the correlation between Xiaochengqitang pieces(decoction and granules)based on ultra high performance liquid chromatography fingerprint

目的研究小承气汤饮片(水煎液、颗粒)的超高效液相色谱(UPLC)指纹图谱相关性。方法采用UPLC法建立15批小承气汤饮片(水煎液、颗粒)的指纹图谱,结合相似度评价、皮尔逊相关性分析、聚类分析(CA)、主成分分析(PCA)和正交偏最小二乘法-判别分析(OPLS-DA)对三者UPLC指纹图谱的相关性进行评价。结果15批小承气汤饮片(水煎液、颗粒)UPLC指纹图谱均确定了16个共有峰,并指认了14个峰;15批小承气汤饮片(水煎液、颗粒)的指纹图谱与相应对照指纹图谱的相似度均大于0.90,三者对照指纹图谱的相似度均大于0.88。皮尔逊相关性分析结果显示,有8个共有峰在小承气汤饮片(水煎液、颗粒)之间具有极显著正相关关系。CA表明小承气汤水煎液和颗粒性质更接近,PCA发现4个特征值均大于1的主成分,包含了原始数据88%的信息,OPLS-DA筛选出7个变量投影重要性值大于1的差异性标志物。结论小承气汤饮片(水煎液、颗粒)的主要化学成分组成具有一致性,可为小承气汤复方制剂的质量控制和临床使用提供数据支持。

Objective To study the correlation of an ultra high performance liquid chromatography(UPLC)fingerprint of Xiaochengqitang pieces(decoction and granules).Methods The UPLC method was used to establish the fingerprint of 15 batches of Xiaochengqitang pieces(decoction and granules).The correlation of the three UPLC fingerprints was evaluated by similarity analysis,pearson correlation analysis,cluster analysis(CA),principal component analysis(PCA)and orthogonal partial least squares-discriminant analysis(OPLSDA).Results UPLC fingerprints of 15 batches of Xiaochengqitang pieces(decoction and granules)determined 16 common peaks,and 14 peaks were identified.The similarity of the fingerprints of the 15 batches of Xiaochengqitang pieces(decoction and granules)with the corresponding control fingerprints was greater than 0.90,and the similarity of the three control fingerprints was greater than 0.88.The results of pearson correlation analysis showed that 8 common peaks in Xiaochengqitang pieces(decoction and granules)had a very significant positive correlation.The results of CA showed that the properties of Xiaochengqitang decoction and granules were more similar.The results of PCA showed that the principal components with 4 eigenvalues greater than 1 contained 88%of the information of the original data.OPLS-DA screened 7 differential markers with variable importance projection value greater than 1.Conclusion The main chemical compositions of Xiaochengqitang pieces(decoction and granules)are consistent,which can provide data support for the quality control and clinical use of Xiaochengqitang compound preparation.