近红外光谱技术快速测定当归中藁本内酯含量

基于近红外光谱技术,运用偏最小二乘回归(PLSR)方法实现当归中藁本内酯含量的快速、无损检测.采用高效液相色谱(HPLC)法测定当归中藁本内酯含量,一阶导数结合正交信号校正对原始光谱进行预处理,建立当归近红外光谱和藁本内酯含量之间的最小二乘回归定量分析模型.结果表明:模型在校正集上的均方根误差(RMSEE)、交叉验证均方根误差(RMSECV)和决定系数R2分别为0.199 9,0.3489和0.9932,在预测集上的预测均方根误差(RMSEP)和决定系数R2分别为0.23和0.9941.方法具有简单、快速、不破坏样品等特点,可用于当归中藁本内酯含量的快速检测.

Rapid determination of ligustilide content in angelica sinensis by near infrared spectroscopy technology

Partial least squares regression (PLSR) method is utilized for determination of ligustilide content in angelica sinensis samples based on near infrared(NIR) spectroscopy.Ligustilide contents is determined by high performance liquid chromatography (HPLC).The NIR spectra pretreatments method of first derivative combined with orthogonal signal correction(OSC) is investigated.The quantitative analysis model is built through the PLSR method.The Experimental results show that the root mean square error of estimation (RMSEE),root mean square error of cross validation (RMSECV),coefficient of determination R2 is 0.1999,0.348 9 and 0.993 2 in the calibration set,the root mean square error of prediction (RMSEP) and R2 is 0.23 and 0.994 1 respectively.The quantitative analysis model established in this study is simple,fast,it can be used for detection of ligustilide content in angelica sinensis.