近红外光谱技术快速测定杞菊地黄丸的水分含量

Rapid Determination of Moisture in Qiju Dihuang Pills by Near-infrared Spectroscopy Technique

目的应用近红外光谱技术建立一种杞菊地黄丸(浓缩丸)中水分含量的快速测定方法。方法以甲苯法测定的样品中水分的含量为真实值,运用近红外漫反射光谱技术采集96份杞菊地黄丸(浓缩丸)样品的近红外漫反射光谱,结合偏最小二乘法(PLS)建立水分含量的定量分析模型。结果所建水分校正模型的相关系数(R2)和内部交叉验证均方差(RMSECV)分别为0.988 09和0.0587;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0.9969和0.075 2。结论该方法操作简便,无污染,结果准确可靠,可用于杞菊地黄丸(浓缩丸)中水分含量的快速测定。

OBJECTIVE To establish a rapid analytical method for moisture in Qiju Dihuang Pills(condensed) by near-infrared diffuse reflectance technique.METHODS First,toluene method was used to determine the content of water in samples.At the same time,NIR diffuse reflectance spectra of 96 samples were collected.Then,Partial Least-Squares(PLS) method was used to create a quantitative model of calibration.RESULTS The correlation coefficients of the PLS calibration models of NIR spectroscopy for moisture was 0.988 09,the root-mean-square error of cross-validation(RMSECV) was 0.058 7;the correlation between the reference value of the testing sample set and the near infrared predictive value were 0.996 9;the root-mean-square error of prediction(RMSEP) was 0.075 2.CONCLUSION The method is rapid,nondestructive and accurate,which can be applied to the fast determination of moisture in Qiju Dihuang Pills(condensed).