基于近红外漫反射光谱指纹图谱的当归-川芎药对配伍研究  

Study on Compatibility of Angelica Sinensis Radix and Ligustic Rhizoma Based on NIRDRS Fingerprints

作　　者：顾志荣[1] 沈丹丹 许爱霞[1] 郑修丽[1] 钱倩 萨日娜[1] 张瑛 葛斌[1] GU Zhi-rong1;SHEN Dan-dan;XU Ai-xia;ZHENG Xiu-li;QIAN Qian;SA Ri-na;ZHANG Ying;GE Bin(Gansu Provincial People’s Hospital,Lanzhou 730000,China;College of Pharmacy,Gansu University of Chinese Medicine,Lanzhou 730000,China;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,甘肃兰州730000 [2]甘肃中医药大学药学院,甘肃兰州730000 [3]甘肃省中药质量与标准研究重点实验室培育基地,甘肃兰州730000

出　　处：《中国中医药信息杂志》2018年第8期64-69,共6页Chinese Journal of Information on Traditional Chinese Medicine

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

摘　　要：目的建立当归、川芎单煎及当归-川芎1∶1合煎水煎液干燥恒重粉末的近红外漫反射光谱(NIRDRS)指纹图谱,从近红外光谱的角度初步探讨当归-川芎配伍的物质基础。方法以积分球漫反射方式采集各50批当归、川芎单煎及当归-川芎1∶1合煎干燥恒重粉末的NIRDRS指纹图谱,提取指纹图谱共有模式并作光谱解析,比较3种指纹图谱的差异光谱并进行相似度分析,建立正交偏最小二乘-判别分析(OPLS-DA)模型对3种指纹图谱进行分类鉴别,采用载荷分析识别当归-川芎配伍合煎后的主要标记性化学基团变化。结果当归、川芎单煎及当归-川芎1∶1合煎NIRDRS指纹图谱的共有模式较为相似;相似度分析表明,当归、川芎单煎与当归-川芎1∶1合煎的NIRDRS指纹图谱相似度均大于0.90,但川芎单煎的平均相似度小于当归单煎;所建立的OPLS-DA模型能够实现当归、川芎单煎及当归-川芎1∶1合煎NIRDRS指纹图谱的分类鉴别,表明3种指纹图谱存在显著区别;光谱差异分析及载荷分析表明,3种NIRDRS指纹图谱的光谱差异分布在9761~9016 cm^(-1)、7449~6997 cm^(-1)、6880~6928 cm^(-1)、5561~5352 cm^(-1)、5291~5196 cm^(-1)、4296~4211 cm^(-1)波数范围内。结论与当归、川芎单煎比较,当归-川芎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降低。Objective To establish the near-infrared diffuse reflectance spectroscopy(NIRDRS)fingerprints of dry constant weight powders of decoction of Angelica Sinensis Radix,Ligustic Rhizoma,and Angelica Sinensis Radix-Ligustic Rhizoma at a ratio of 1:1;To preliminarily investigate the material basis of its compatibility from perspective of near infrared spectroscopy.Methods The NIRDRS fingerprints of each 50 batches of Angelica Sinensis Radix,Ligustic Rhizoma,and Angelica Sinensis Radix-Ligustic Rhizoma at a ratio of 1:1 were collected by integrating sphere diffuse reflectance method.The common model of fingerprints were extracted and the spectral analysis was carried out.The different spectra of the three fingerprints were compared and the similarity analysis was carried out.The orthogonal partial least squares-discriminant analysis(OPLS-DA)model was used to classify the three fingerprints,and the loading analysis was used to identify the major markers of chemical functional groups of compatibility of Angelica Sinensis Radix and Ligustic Rhizoma.Results The common model of NIRDRS fingerprints of Angelica Sinensis Radix and Ligustic Rhizoma were similar with that of Angelica Sinensis Radix-Ligustic Rhizoma at a ratio of 1:1.The similarity analysis showed that the similarity of NIRDRS fingerprints of Angelica Sinensis Radix,Ligustic Rhizoma and Angelica Sinensis Radix-Ligustic Rhizoma at a ratio of 1:1 were all more than 0.90,but the average similarity of Ligustic Rhizoma was less than Angelica Sinensis Radix.The established OPLS-DA model can be used to classify the NIRDRS fingerprints of Angelica Sinensis Radix,Ligustic Rhizoma and Angelica Sinensis Radix-Ligustic Rhizoma at a ratio of 1:1,which indicated that the three fingerprints were significantly different.Spectral difference analysis and loading analysis showed that the wavenumbers of the differences of three NIRDRS fingerprints mainly existed in the ranges of 9761–9016 cm-1,7449–6997 cm-1,6880–6928 cm-1,5561–5352 cm-1,5291–5196 cm-1,and 4296–4211 cm-1.

关 键 词：当归 川芎 配伍 近红外漫反射光谱 指纹图谱 正交偏最小二乘-判别分析 载荷分析 物质基础 

分 类 号：R284.1[医药卫生—中药学]