8种含碳酸盐的矿物类中药近红外定性定量模型的建立

A NIR qualitative and quantitative model of 8 kinds of carbonate-containing mineral Chinese medicines

该研究探索应用近红外光谱技术对8种含碳酸盐的矿物类中药进行快速鉴别。利用OPUS软件中聚类分析法建立的定性分析模型，可以准确鉴别8种含碳酸盐的矿物类中药。另外，使用偏最小二乘法对其中7种矿物类中药的主要成分碳酸钙含量建立近红外定量分析模型，以EDTA滴定法测定值为参照，当碳酸钙含量为47．61％～99．17％时，预测结果的平均相对偏差为0．24％，平均回收率为100．3％。结果表明，该近红外光谱分析模型可以快速准确鉴别8种含碳酸盐类矿物类中药，对其中7种矿物类中药中碳酸钙的含量也可以快速测定，结果准确、可靠。

The aim of this paper is to apply near infrared spectroscopy techniques to construct a rapid identification method for 8 kinds of mineral Chinese Medicines containing carbonates. The qualitative model using clustering analysis method in OPUS software can identify accurately 8 kinds of carbonate-containing mineral Chinese medicines. The near-infrared quantitative model was established by using partial least squares method （PLS） for 7 mineral Chinese Medicines in which main component is calcium carbonate. Com- pared with the results by EDTA titration, the established quantitative analysis model for calcium carbonate content showed a good pre- diction result that when the content is between 47. 61%-99. 17%, the average relative deviation of the prediction result is 0.24% and the average recovery rate was 100. 3% . The results also showed that the model using near infrared spectroscopy can get not only a rap- id identification of the 8 mineral Chinese medicines containing carbonates, but also an accurate and reliabe content determination of calcium carbonate for the 7 mineral Chinese medicines which contain the component.