近红外光谱法快速测定杭白菊中3种成分的含量

Rapid Determination of Three Ingredients in Chrysanthemum morifolium by Near-infrared Spectroscopy

目的:建立杭白菊中绿原酸、木犀草苷及3,5-O-双咖啡酰基奎宁酸含量快速测定的近红外光谱模型。方法:以HPLC分析值作为参照,采用傅里叶变换近红外漫反射光谱技术采集杭白菊的近红外光谱,结合偏最小二乘法(PLS)建立绿原酸、木犀草苷及3,5-O-双咖啡酰基奎宁酸含量的快速测定方法。结果:杭白菊中绿原酸、木犀草苷及3-5-O-双咖啡酰基奎宁酸近红外光谱校正模型的相关系数(R)、校正均方差(RMSEC)、内部验证均方差(RMSEP)分别为0.954 93,0.015 7,0.012 7,0.984 50,0.013 1,0.017 6和0.998 28,0.009 17,0.005 11。经外部验证,3种成分的预测值和真实值相关系数分别达到0.940 4,0.941 2,0.944 6。结论:该方法准确、快速、简便,可实现杭白菊大批量样品的快速分析。

Objective： A near-infrared quantitative method was developed for rapid determination of chlorogenic acid, luteoloside and isochlorogenic acid A in Chrysanthemum morifolium. Method： Near-infrared diffuse reflectance spectroscopy technology was adopted to collect NIR spectra of C. morifolium with HPLC analysis values as reference, the rapid determination method of chlorogenic acid, luteoloside and isochlorogenic acid A was established with partial least squares （PLS）. Result： The correlation coefficients, the root-mean-square error of calibration （RMSEC） and the root-mean-square error of validation （RMSEP） of the calibration model for chlorogenic acid, luteoloside and isochlorogenic acid A in C. morifolium were 0. 954 93, 0. 015 7, 0. 012 7, 0. 984 50, 0. 013 1, 0. 017 6 and 0. 998 28, 0. 009 17, 0. 005 11, respectively. The correlation coefficient of the true value and prediction value from external validation of 3 ingredients was 0. 940 4, 0. 941 2 and 0. 944 6. Conclusion： The method is accurate, fast and simple, which can be applied for the rapid determination of large quantities of number of samples.