论文部分内容阅读
目的利用近红外(Near Infrared Spectroscopy,NIR)、中红外(Mid-Infrared-Spectroscopy,MIR)光谱技术建立快速定量分析丹参药材中水分含量的方法。方法以2015版《中国药典》水分测定法中的烘干法测定144批丹参药材含水量,采用偏最小二乘法(Partial Least Squares,PLS)分别建立丹参药材近红外、中红外光谱与含水量之间的相关定量模型,并利用内部交叉验证和外部验证的方法对模型进行优化。结果所建2个模型的校正集内部交叉验证决定系数(R2)均在0.99以上,内部交叉验证均方差(Root Mean Square Error of Cross Validation,RMSECV)均在0.0003以下;验证集外部验证决定系数(R2)均在0.98以上,预测误差均方根(Root Mean Square Error of Prediction,RMSEP)均在0.0004以下,两种方法的定量效果接近,仪器精密度良好,样品重复性佳,在8h内样品检测稳定。结论 NlR、MIR两种方法具有快速、无损、准确的特点,可用于丹参药材含水量快速测定。
Objective To establish a rapid and quantitative method for the determination of water content in Radix Salviae Miltiorrhizae by Near Infrared Spectroscopy (NIR) and Mid-Infrared-Spectroscopy (MIR) spectroscopy. Methods The water content of 144 batches of Radix Salviae Miltiorrhizae was determined by the drying method in the 2015 Chinese Pharmacopoeia. The partial least squares (PLS) methods were used to establish the near-infrared and mid-infrared spectra and water content Between the relevant quantitative model, and the use of internal cross-validation and external validation of the model to optimize. Results The internal cross-validation coefficients (R2) of the two models were all above 0.99 and the Root Mean Square Error of Cross Validation (RMSECV) was below 0.0003. The validation set of external validation coefficients R2) were all above 0.98, and Root Mean Square Error of Prediction (RMSEP) was below 0.0004. The quantitative results of the two methods were close, the precision of the instrument was good and the sample repetitiveness was good. Samples were detected within 8 hours stable. Conclusion Both NIR and MIR methods are rapid, non-destructive and accurate and can be used for the rapid determination of water content in Salvia miltiorrhiza.