利用拉曼光谱技术检测外用溃疡散中雄黄的研究  

Detection of Realgars in Topical Ulcer Powder by Using Raman Spectroscopy

作　　者：韩斯琴高娃[1] 哈斯乌力吉[2] 林翔[2] 林爽[2] 杨芳[2] 娄秀涛[2] 吕志伟[2] 

机构地区：[1]内蒙古民族大学附属医院,内蒙古通辽028043 [2]哈尔滨工业大学可调谐(气体)激光技术国家级重点实验室,黑龙江哈尔滨150080

出　　处：《中医药学报》2014年第6期14-17,共4页Acta Chinese Medicine and Pharmacology

基　　金：国家国际技术合作专项项目(批准号:2011DFA31770)

摘　　要：目的:建立外用溃疡散中的雄黄的拉曼光谱检测方法。方法:基于密度泛函理论,使用b3lyp和6-31g(d)基组计算了雄黄的拉曼光谱及相应振动模式信息;利用便携式拉曼光谱仪测量纯雄黄固体粉末的拉曼特征峰,并与理论计算结果进行对比;检测了两种口腔溃疡散的拉曼光谱,并对峰位进行了归属和指认;检测了掺杂不同质量分数雄黄的口腔溃疡散的拉曼光谱。结果:雄黄的拉曼特征峰主要位于143、183、193、221、355、413cm-1处,实验测量值与理论计算值匹配良好。拉曼光谱能较好地检测出外用溃疡散中含有的雄黄,同时以口腔溃疡散为样品基质,对雄黄进行了半定量分析,检测极限可达到质量分数的10%左右。结论:拉曼光谱检测方法具有快速、简便、准确等优点,值得在药品鉴定中得到更广泛的应用。Objective： To establish a Raman spectroscopy method for the determination of realgar in topical ulcer powders.Methods： Based on Density Functional Theory（DFT）,the theoretical Raman spectrum of realgar was calculated by using basic set of b3 lyp and 6-31g（d） and the vibration mode information was obtained; the experimental Raman spectrum of realgar was detected by using a portable Raman spectrometer and was compared with the calculated spectrum;Raman spectra of two kinds of topical ulcer powders were detected and the Raman characteristic peaks were assigned;Raman spectra of topical ulcer powders spiked with different amount of realgars were detected. Results： The Raman peaks of realgars were located at 143,183,193,221,355,413cm^-1,and the calculated Raman spectrum had a good match with Raman spectrum of realgar powder. Raman spectroscopy could be used to detect topical ulcer powders which contained cinnabars. Meanwhile,the realgar had been semiquantitative analyzed by using oral ulcer powders as sample matrix and the results showed that Raman spectroscopy could be used to determine the content of realgar. The detective limit could be down to 10%. Conclusion： The method of Raman spectroscopy is rapid,simple and accurate,thus it should be applied widely in pharmaceutical identification and detection.

关 键 词：拉曼光谱 蒙药 中药 雄黄 

分 类 号：R284.1[医药卫生—中药学]