矿物药白硇砂和紫硇砂的XRD、拉曼及近红外光谱特征研究

Study on XRD,Raman and NIR Spectral Characteristics of Sal Ammoniac and Halitum Violaceum

目的:分析矿物药白硇砂和紫硇砂的X衍射(XRD)、拉曼(Raman)和近红外(NIR)光谱特征,明确其物相组成,为该两种药材及其易混淆品提供快速有效的鉴别方法。方法:采集白硇砂、紫硇砂共17批样品的XRD图谱,通过寻峰和物相检索确定其物相组成;在此基础上,分析样品的拉曼光谱特征,计算白硇砂和紫硇砂的平均光谱数值和相关系数,建立二者的拉曼光谱标准图谱。此外,还对二者的近红外光谱鉴别方法进行了初步探索。结果:XRD分析显示,白硇砂主要成分为氯化铵,尚含较多氯化钠;紫硇砂主要成分为氯化钠。同种药材之间,拉曼光谱相似度较高(相关系数均大于0.9)。此外,白硇砂近红外光谱特征峰明显且峰型较好,紫硇砂则无显著特征峰。结论:XRD分析可快速确定矿物药白硇砂和紫硇砂的物相组成;二者拉曼光谱具有良好的专属性,适于建立标准对照光谱特征图。白硇砂和紫硇砂的光谱特征的建立,为今后安全有效地应用该药材提供了有效依据。

Objective： To determine the original mineral resources and identification method of mineral traditional Chinese medicines Sal Ammoniac and Halitum Violaceum by analyzing their XRD Fourier patterns, Rarnan spectra and near infrared spectra （NIRS）. Methods： XRD Fourier patterns collected from sample powders were used to determine phase composition. On this basis, Raman spectral characteristics were analyzed, average spectrum and correlation coefficient were computed, and thus standard Raman spectra of Sal Ammoniac and Halitum Violaeeum were established. Besides, the identification method by NIRS was discussed preliminarily. Results： XRD analysis show that the main component of Sal Ammoniac was NH4 C1 and Sal Ammoniac also contained much NaC1. The main component of Halitum Violaceum was NaC1. The Raman spectra of the same kind of medicinal materials exhibited a high similarity degree （ the correlation coefficient was higher than 0. 9）. Besides, there were obvious characteristic peaks in the NIRS of Sal Ammoniac, while there was almost no obvious characteristic peak in the N1RS of Halitum Violaceum. Conclusion： XRD analysis is able to determine phase composition of Sal Ammoniac and Halitum Violaceum, and Raman spectra of both Sal Ammoniac and Halitum Violaceum have good specialization. It is appropriate to establish Raman standard spectrum, which could provide effective reference for the safe application of them.