选择多批双黄连口服液样本,应用HPLC法测定绿原酸和连翘苷的含量,同时进行NIRS测定,建立了绿原酸和连翘苷的含量预测模型,以相对偏差(RSEP)及相关系数(r)为指标考察数据处理方法,以交互验证均方根误差(RMSECV)为指标考察NIRS的预处理方法及选择光谱范围或波数点。数据处理方法为逐步多元线性回归(SMLR),直接采用原始光谱进行建模,绿原酸的波数为6 654.06和7 106.08 cm-1,连翘苷的波数为5 456.06和7 222.08 cm-1,最优模型预测绿原酸和连翘苷含量的RMSECV分别为0.857 26和0.889 87,相关系数分别为0.857 26和0.889 87。外部交互验证的结果表明该预测模型准确可靠,可作为双黄连口服液的快速质量评价控制方法。
The aim of the present study was to establish the model of predicting the contents of chlorogenic acid and phillyrin in Shuanghuanglian oral fluid using NIR to realize quick quality evaluation of Shuanghuanglian oral fluid. To this end, many bat- ches of Shuanghuanglian oral fluid were selected, and the contents of chlorogenic acid and phillyrin were determined using HPLC. Meanwhile, the NIR spectra of the same samples were determined. The model used to predict the contents of chlorogen- ic acid and phillyrin in Shuanghuanglian oral fluid was established by correlation analysis between the results gained by HPLC and NIR spectra. According to the value of RSEP and r, the method of data processing was chosen. The method of spectra pro- cessing and wavelength range or wave numbers were chosen based on the value of RMSECV. The method of data processing was SMLIL The original spectra were used to establish the model. The wave numbers in the model used to predict the contents of chlorogenic acid and phillyrin were 6 654.06/7 106.08 cm 1, and 5 456.06/7 222.08 cm 1 respectively. The RMSECV and the correlation coefficient of the best model of chlorogenic acid and phillyrin were 0. 857 26, 0. 889 87 and 0. 857 26 and 0. 889 87. The results of cross validation indicate that the predicting model was accurate and credible, and could be used as a rapid quality control method of Shuanghuanglian oral fluid.