近红外漫反射光谱法对益母草颗粒的定量和定性分析  

Quantitative and Qualitative Analysis of Motherwort Granules by Near Infrared Diffuse Reflectance Spectroscopy

作　　者：蒙杰丹[1] 杨季冬[1,2] 

机构地区：[1]西南大学化学化工学院,重庆市北碚区天生路2号400715 [2]长江师范学院化学化工学院

出　　处：《光谱实验室》2012年第2期1182-1187,共6页Chinese Journal of Spectroscopy Laboratory

基　　金：重庆市科委科技攻关项目(CSTC;2010AC5170)

摘　　要：利用近红外光谱结合偏最小二乘法建立了快速测定益母草颗粒的盐酸水苏碱的定量分析模型,模型的决定系数为0.9622,内部交叉验证均方差为0.0576;然后用10个预测集样本对模型的性能进行验证,决定系数为0.9495,预测集标准偏差为0.0547,相对分析误差为4.45,表明该方法能应用于生产实践。最后选取样品的近红外光谱的6502.8—3999.6cm-1波段建立9个厂家的益母草颗粒聚类分析模型,结果不同厂家的样品能很好地进行分类,然后使用预测集样品对该模型进行检验,结果表明该方法准确快速。The quantitative analysis model for the rapid determination of stachydrine hydrochloride in motherwort granules was established by near infrared spectroscopy combining with the least square method.The coefficient of determination of model was 0.9622,and the root mean squared error of corss-validation was 0.0576.Ten prediction samples were used to validate the performance of the calibration model.The coefficient of determination of the prediction model was 0.9495,and the standard deviation of prediction model was 0.0547.The relative error analysis was 4.45.It indicated this method can be applied to the production and practice.Ultimately,the 6502.8—3999.6cm-1 wave band of the near infrared spectra was chosen to establish the clustering analysis model of motherwort granules from 9 manufacturers,and the samples from the different manufacturers can be primely classified,then the model was detected by prediction samples,and the results showed the method was accurate and rapid.

关 键 词：近红外光谱 益母草颗粒 盐酸水苏碱 聚类分析 

分 类 号：O657.33[理学—分析化学]