基于导数差异光谱及PCA分析当归-熟地药对的近红外光谱指纹图谱  

Analysis of Near-infrared Spectra fingerprints of Compatibility of Angelica Sinensis Radix and Rehmanniate Radix Based on Derivative Differential Spectra and PCA

作　　者：顾志荣[1] 沈丹丹 葛斌[1] 张瑛[2,3] 萨日娜 郑修丽[1] 许爱霞[1] GU Zhi-rong;SHEN Dan-dan;GE Bin;ZHANG Ying;SA Ri-na;ZHENG Xiu-li;XU Ai-xia(Department of Pharmacy,Gansu Provincial People＇s Hospital;Gansu University of TCM;Key Laboratory of TCM Quality and Standard in Gansu Province,Lanzhou 730000,China)

机构地区：[1]甘肃省人民医院药剂科 [2]甘肃中医药大学 [3]甘肃省中药质量与标准研究重点实验室培育基地,兰州730000

出　　处：《天然产物研究与开发》2018年第7期1252-1256,共5页Natural Product Research and Development

基　　金：甘肃省人民医院青年科研项目(16GSSY7-2);国家自然科学基金(30960037);甘肃省发改委战略新兴产业和产业技术研究与开发专项(2011);甘肃省科技支撑计划(144FKCA078)

摘　　要：采用喷雾干燥法制备当归、熟地及两者1∶1配伍的干燥恒重粉末,以积分球漫反射方式采集90批样品的近红外漫反射光谱(NIRDRS)指纹图谱,对原始光谱、一阶导数及二阶导数光谱进行差异光谱分析,采用主成分分析(PCA)对3种指纹图谱进行分类鉴别及载荷分析。结果表明,3种NIRDRS指纹图谱的共有模式特征峰及走势均较为相似,但吸光度区别明显;导数差异光谱分析得出了当归、熟地配伍前后特征性吸收峰的具体变化;PCA分析能够对3种NIRDRS指纹图谱进行明显的分类聚集;当归与熟地1∶1配伍合煎表现为新出现某些化合物基团,同时某些化合物基团消失或吸收降低,这些变化主要反映在波数8639~8091、7509~7205、6550~6439、6202~6011、5780~5746、5512~5394、5386~5026、4393~4162 cm-1范围内。The dried constant weight powders of Angelica Sinensis Radix,Rehmanniate Radix and its compatibility at a ratio of 1∶ 1 were obtained by spray-dried method. The near-infrared diffuse reflectance spectroscopy（ NIRDRS） fingerprints of 90 batches of samples were collected by integral diffuse reflectance method. Three kinds of NIRDRS fingerprints were analyzed by differential spectra analysis of original spectra,first derivative and second derivative spectra,and were classified and identified by principal component analysis（ PCA）. The results showed that the characteristic peaks and trends of common model of three kinds of NIRDRS fingerprints were similar,but its absorbance difference was obvious.The differences of characteristic absorption peaks before and after compatibility were obtained by differential spectra analysis. PCA showed that three kinds of NIRDRS fingerprints can be clearly classified and aggregated. The compatibility of Angelica Sinensis Radix and Rehmanniate Radix at a ratio of 1∶ 1 showed some new functional groups,and some functional groups disappeared or decreased,and the wave number ranges changed before and after compatibility were 8639-8091,7509-7205,6550-6439,6202-6011,5780-5746,5512-5394,5386-5026 cm-1,and 4393-4162 cm-1.

关 键 词：当归 熟地 配伍 近红外光谱 导数差异光谱 指纹图谱 主成分分析 

分 类 号：R282.2[医药卫生—中药学] Q946[医药卫生—中医学]