运用近红外光谱建立延胡索中5种生物碱成分同步测定的定量模型

该文建立了同步测定延胡索中盐酸黄连碱、海罂粟碱、脱氢紫堇碱、延胡索乙素和延胡索甲素5种生物碱成分的近红外光谱定量模型。首先采用高效液相色谱结合紫外检测法测定延胡索中上述5种成分的化学值,然后采用傅里叶变换近红外光谱技术并结合偏最小二乘法(PLS) 建立、优化模型,采用校正模型的相关系数(r) 、校正均方根误差(RMSEC)、内部交叉验证均方根误差(RMSECV)和预测模型的相关系数(r)和预测均方根误差(RMSEP)对校正模型进行评价。所建立的定量校正模型中盐酸黄连碱、海罂粟碱、脱氢紫堇碱、延胡索乙素和延胡索甲素的r分别为0.941 0,0.972 7,0.964 3, 0.978 1,0.979 9; RMSEC分别为0.006 7,0.003 5,0.005 9,0.002 8,0.005 9; RMSECV 分别为0.015,0.011,0.020,0.010,0.022。预测模型中上述5种成分的相关系数r分别为0.916 6, 0.942 9,0.943 6,0.916 7,0.914 5; RMSEP 分别为0.009,0.006 6,0.007 5,0.006 9,0.011。该研究所建立的近红外定量模型稳定性较好,预测结果较准确,可望用于延胡索药材中5种主要生物碱成分的同步快速测定。

Establishment of simultaneous quantitative model of five alkaloids from Corydalis Rhizoma by near-infrared spectrometry

This paper established a near-infrared spectroscopy quantitative model for simultaneous quantitative analysis of coptisine hydrochloride, dehydrocorydaline, tetrahydropalmatine, corydaline and glaucine in Corydalis Rhizoma. Firstly, the chemical values of the five components in Corydalis Rhizoma were determined by the reversed-phase high performance liquid chromatography(RP-HPLC) with UV detection.Then, the quantitative calibration model was established and optimized by fourier transformation near-infrared spectroscopy(NIRS) combined with partial least square(PLS) regression. The calibration model was evaluated by correlation coefficient(r), the root-mean-square error of calibration(RMSEC) and the root mean square of cross-validation(RMSECV) of the calibration model, as well as the correlation coefficient(r) and the root mean square of prediction(RMSEP) of prediction model. For the quantitative calibration model, the r, RMSEC and RMSECV of coptisine hydrochloride, dehydrocorydaline, tetrahydropalmatine, corydaline and glaucine were 0.941 0,0.972 7, 0.964 3, 0.978 1, 0.979 9; 0.006 7, 0.003 5, 0.005 9, 0.002 8, 0.005 9; and 0.015, 0.011, 0.020,0.010 and 0.022, respectively. For the prediction model, the r and RMSEP of the five components were 0.916 6, 0.942 9, 0.943 6, 0.916 7, 0.914 5; and 0.009, 0.006 6, 0.007 5, 0.006 9 and 0.011, respectively. The established near-infrared spectroscopy quantitative model is relatively stable, accurate and reliable for the simultaneous quantitative analysis of the five alkaloids, and is expected to be used for the rapid determination of the five components in crude drug of Corydalis Rhizoma.