近红外漫反射光谱法快速测定枳实药材中醇浸出物的含量

目的:采用近红外漫反射光谱技术结合偏最小二乘法(PLS)建立一种枳实药材中醇浸出物含量的快速测定方法。方法:运用近红外漫反射光谱技术采集枳实的近红外漫反射光谱,以热浸法测定的含量为参考值,结合PLS建立枳实药材中醇浸出物含量的定量分析模型,并用未知样品验证该模型。结果:所建醇浸出物定量分析模型的校正集内部交叉验证相关系数(R2)、内部交叉验证均方差(RMSECV)和校正均方差(RMSEC)分别为0.984 89,0.417 89和0.153;验证集预测相关系数(r)与预测均方差(RMSEP)分别为0.948 4和0.188。结论:该方法操作简便,测定快速,结果准确,可用于枳实药材中醇浸出物含量的快速测定。

Rapid Quantitative Determination of Ethanol-extract in Aurantii Fructus Immaturus by Near-infrared Spectroscopy

Objective: This paper reported the application of near infrared spectroscopy with PLS for rapid quantitative determination of ethanol-extract in Aurantii Fructus Immaturus. Method: Through collecting near-infrared spectra of Aurantii Fructus Immaturus by near-infrared diffuse reflectance spectroscopy technique, with hot-dip method measurements as a reference value, the quantitative model of ethanol-extract was built by partial least squares (PLS), and it was verified by the unknown samples. Result: The correlation coefficients (R²), root mean square error of cross validation (RMSECV), and the root mean-square error of calibration (RMSEC) of the quantitative calibration model of ethanol-extract was 0.984 89, 0.417 89 and 0.153, respectively;the correlation coefficients of predication(r) and the root-mean-square error of predication (RMSEP) was 0.948 4 and 0.188, respectively. Conclusion: The method is simple, quick, accurate and pollution-free, and it can be applied for the rapid determination of ethanol-extract in Aurantii Fructus Immaturus.