1近红外漫反射光谱法定量分析川芎中的阿魏酸含量

目的: 应用近红外光谱分析技术和化学计量学方法构建了川芎中阿魏酸含量的定量测定模型。 方法: 通过偏最小二乘法建立数学模型,并对预测集进行预测。 结果: 34个川芎样品经交叉验证建立校正模型,交叉验证均方根误差(RMSECV)为0.146%,决定系数(R²)为0.9883。用11个川芎样品进行预测,预测值与参考值的决定系数(R²)达0.9751,预测均方根误差(RMSEP)为0.251%。 结论: 该方法简便快速,结果准确,可应用于对不同产地不同批次的川芎进行快速检查或质量控制。

Objective: Near infrared (NIR) spectroscopy and chemometrics were applied to the quantitative analysis of ferulic acid in Ligusticum chuanxiong Hort. Method: Partial least squares (PLS) regression model was built using a calibration set (34 samples).The prediction set was established by 11 samples.And we applied this method to predict the data in the prediction set. Results: The coefficient of determination (R²) was 0.9883 as indicated from the cross-validation,and the root mean square error of cross validation (RMESCV) was 0.146%.The coefficient of determination (R²) of the reference and predicted values was 0.9751,and the root mean square of prediction (RMSEP) was 0.251%.NIR spectroscopy method was simple,rapid and accurate. Conclusion: The method can be applied in rapid qualitative and quantitative of different batches of Ligusticum chuanxiong Hort. from the different places of origin.