基于多成分定量及化学计量学的4种郁金特征性成分识别与质量评价

目的 测定分别来自四川、浙江、广西3个产地的4种郁金共20批中的12种成分含量，并评价其质量。方法 采用HPLC法测定4种郁金的化学成分谱，并通过主成分分析法（principal component analysis,PCA）和正交偏最小二乘分析法（orthogonal partial least squares-discriminate analysis,OPLS-DA）进行分析，识别4种郁金的特征成分，建立综合评价模式。结果 4种郁金的化学成分谱各具特征，通过PCA得到3个新变量累计方差贡献率达90.476%，在组间差异成份的基础上采用因子得分表达式综合评价郁金质量：黄丝郁金>温郁金>绿丝郁金>桂郁金，并根据郁金主要药理作用相关的化合物评价4种郁金，验证了评价模型的有效性。通过OPLS-DA模型的变量重要性投影（variable importance projection,VIP）值确定莪术二酮、吉马酮为种间差异的关键化合物，并应用模型的回归系数识别了4种郁金各自的特征性成分。结论 建立的郁金多成分测定方法线性关系良好、稳定可靠，通过化学计量学方法可以更全面、准确...

Identification of characteristic components and quality evaluation of four kinds of Curcumae Radix based on multi-component quantification and chemometrics

Objective To determine the contents of 12 components in 20 batches of four kinds of Yujin (Curcumae Radix) from Sichuan, Zhejiang and Guangxi, and evaluate their quality. Methods The chemical component spectra of Curcumae Radix were determined by HPLC, a comprehensive evaluation model and the characteristic components of four kinds of Curcumae Radix were established and identified by principal component analysis (PCA) and orthogonal partial least squares discrimination analysis (OPLS-DA). Results The chemical composition spectrum of four kinds of Curcumae Radix had its characteristics, three new principal components was obtained by PCA and the cumulative variance contribution rate was 90.476% On the basis of the different components between groups, the quality of Curcumae Radix was comprehensively evaluated by the factor score expression was in the sequence of Huangsi Yujin > Wen Yujin > Lvsi Yujin > Gui Yujin, and according to its compounds related to main pharmacological effects to evaluate Curcumae Radix to test and verify the validity of the evaluation model. The variable importance projection (VIP) values of OPLS-DA were used to identify curdione and germacrone as the key compounds of interspecific difference, and the characteristic components of four Curcumae Radix were identified by the regression coefficients of the model. Conclusion The established method for the determination of multiple components of Curcumae Radix is stable and reliable with a good linear relationship,, and can be used to evaluate the advantages and disadvantages between species more comprehensively and accurately through chemometrics, and identify their characteristic components, which provides a theoretical and direction for the rational application and quality evaluation of Curcumae Radix.