近红外漫反射光谱(NIRS)结合TQ软件建立盾叶薯蓣中薯蓣皂苷元定量模型

Quantitative model for Diosgenin in Dioscorea zingiberensis C.H.Wright by near-infraed spectroscopy(NIRS) combined with TQ software

目的利用近红外漫反射光谱(near-infraed spectroscopy,NIRS)结合TQ软件快速测定盾叶薯蓣药材中薯蓣皂苷元含量。方法采集盾叶薯蓣样品的近红外光谱图,采用高效液相色谱法(HPLC)测定盾叶薯蓣中薯蓣皂苷元的含量,利用TQ软件建立薯蓣皂苷元的定量分析模型,利用模型对未知样品进行预测。结果建立的薯蓣皂苷元校正模型的相关系数(R2)、校正均方差(RMSEC),内部交叉验证均方差(RMSECV)分别为0.96459,0.0999,0.30041;经外部验证,模型的预测相关系数(R2)和预测均方差(RMSEP)分别为0.9634,0.128。结论所建模型预测能力较好,可以用于盾叶薯蓣中薯蓣皂苷元含量的快速检测。

Objective To determine the Diosgenin in Dioscorea zingiberensis C. H. Wright by near- infraed spectroscopy （NIRS） combined with TQ software. Methods NIRS of Dioscorea zingiberensis C. H. Wright was collected, the content of diosgenin were determined in the samples by HPLC,and the quantitative calibration model was established with TQ software. Then, the prediction samples were anylized by the model. Results The correlation coefficients （R2） ,the root-mean-square error of calibration （RMSEC） and the root-mean-square error of cross-validation （RMSECV） of the quantitative calibration model for diosgenin were 0. 96459, 0. 0999 and 0. 30041 respectively; the correlation coefficients of prediction （R2） and the root-mean-square error of prediction （RMSEP） were 0. 9634 and 0. 128. Conclusions The predication of themodle was good,and could be used to predict the diosgenin inDioscorea zingiberensis C. H. Wright.