近红外光谱法快速鉴别三九胃泰颗粒及其水分定量分析

Rapid Identification of Sanjiu Weitai Granule and Quantitative Analysis of Moisture by Near-infrared Spectroscopy

目的:建立快速鉴别三九胃泰颗粒及其水分定量分析的方法。方法:采用近红外光谱法。采集38批三九胃泰颗粒,用积分球漫反射法测定近红外光谱,通过一致性指数(CI)值和CI限度比较法建立一致性检验模型,通过偏最小二乘法(PLS)建立水分定量模型。结果:当CI值<6时,所建模型能够将三九胃泰快速鉴别出来,该模型经验证可行;水分定量模型相关系数(r^2)为97.44,交叉验证均方差(RMSECV)为0.453,预测均方根误差(RMSEP)为0.748。结论:该方法方便、快捷、不破坏样品,可用于三九胃泰颗粒的现场快速筛查和水分含量的快速测定。

OBJECTIVE：To establish a method for the rapid identification of Sanjiu weitai granule and quantitative analysis of moisture. METHODS：Near-infrared （NIR） spectroscopy was adopted. 38 batches of Sanjiu weitai granule were collected,NIR spectrum was determined by integrating sphere diffuse-reflectance. Conformity test model was performed by comparing consistency index（CI）value and CI limit,and quantitative model of moisture was established using partial least squares（PLS）algorithm. RE-SULTS：When CI value was less than 6,the established model can accurately distinguish Sanjiu weitai granule,the model was proven feasible;the correlation coefficient （r2） of quantitative model was 97.44,the root mean square error of cross validation （RMSECV） was 0.453,the root mean square error of prediction （RMSEP） was 0.748. CONCLUSIONS：The method is simple and rapid without destroying,which can be applied to fast screening of Sanjiu weitai granule in site and fast determination of mois-ture content.