Dai Chuan-Yun, Gao Xiao-Yan, Tang Bo, Fu Ya, Liu Huo-An
Department of Biology, Chongqing University of Science and Technology, Chongqing 401331, China.
Guang Pu Xue Yu Guang Pu Fen Xi. 2010 Feb;30(2):358-62.
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 batches 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 chlorogenic 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 processing and wavelength range or wave numbers were chosen based on the value of RMSECV. The method of data processing was SMLR 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.
本研究的目的是建立利用近红外光谱预测双黄连口服液中绿原酸和连翘苷含量的模型，以实现双黄连口服液质量的快速评价。为此，选取了多批次双黄连口服液，采用高效液相色谱法测定绿原酸和连翘苷的含量。同时，测定了同一样品的近红外光谱。通过高效液相色谱法结果与近红外光谱之间的相关性分析，建立了预测双黄连口服液中绿原酸和连翘苷含量的模型。根据RSEP和r值选择数据处理方法。基于RMSECV值选择光谱处理方法、波长范围或波数。数据处理方法为偏最小二乘法回归（SMLR），采用原始光谱建立模型。用于预测绿原酸和连翘苷含量的模型中的波数分别为6654.06/7106.08 cm⁻¹和5456.06/7222.08 cm⁻¹。绿原酸和连翘苷最佳模型的RMSECV和相关系数分别为0.85726、0.88987以及0.85726和0.88987。交叉验证结果表明，该预测模型准确可靠，可作为双黄连口服液快速质量控制方法。
