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目的:探讨含碳酸盐的矿物类中药的物相组成,主要成分含量与其近红外光谱特征的相关性,确定含碳酸盐的矿物类中药的近红外光谱特征谱段。方法:采用X衍射法、EDTA滴定法、近红外光谱法对南寒水石、钟乳石、石燕、石蟹、石花、炉甘石、鱼脑石、鹅管石8种含碳酸盐的矿物类中药的物相组成、主成分含量、近红外光谱特征进行分析,探究矿物类中药近红外特征谱段的选择。结果:8种含碳酸盐的矿物类中药的近红外特征谱段中确定6 070~5 000 cm-1和4 800~4 050 cm-1为建模特征谱段,剔除7 350~6 500 cm-1具有合理性。结论:结合X衍射分析结果对近红外光谱特征进行对比分析,可以有效地识别含碳酸盐类矿物类中药的特征谱段,有利于建立合理有效的近红外分析模型。
OBJECTIVE: To investigate the correlation between the phase composition and the main components of carbonate-containing mineral Chinese medicines and the characteristics of their near-infrared spectroscopy, and to determine the characteristic spectral bands of near infrared spectra of carbonate-containing minerals. Methods: Eight kinds of carbonate-containing minerals such as Nan Han water stone, stalactite, Shi Yan, stone crab, stone flower, calamine, fish brain stone and goose pipe stone were characterized by X-ray diffraction, EDTA titration and near infrared spectroscopy Phase composition, the content of main components and the characteristics of near infrared spectroscopy, and to explore the selection of the near infrared spectral bands of mineral Chinese medicines. Results: The spectral bands of 6 070 ~ 5 000 cm-1 and 4 800 ~ 4 050 cm-1 of 8 kinds of carbonate-containing minerals in the near-infrared spectrum were selected as the modeling features, excluding 7 350 ~ 6 500 cm-1 is reasonable. Conclusion: The results of X-ray diffraction analysis of near-infrared spectroscopy can effectively identify the characteristic spectrum of carbonate-containing minerals and help to establish a reasonable and effective near-infrared analysis model.