基于近红外光谱的佛手及其炮制品快速质量分析研究  

Quality analysis of Citri Sarcodactylis Fructus with near-infrared spectroscopy

作　　者：王虎 陈倩茹 孟江 李旺君 黄煜文 陈志维 张戴英[5] WANG Hu;CHEN Qianru;MENG Jiang;LI Wangjun;HUANG Yuwen;CHEN Zhiwei;ZHANG Daiying(School of Chinese Materia Medica,Guangdong Pharmaceutical University/Key Laboratory of Digital Quality Evaluation of Traditional Chinese Medicine,National Administration of Traditional Chinese Medicine/Traditional Chinese Medicine Quality Engineering and Technology Research Center of Guangdong Universities,Guangzhou 510006,China;Guangdong Provincial Key Laboratory of Traditional Chinese Medicine Informatization,Guangzhou 510006,China;Guangzhou Zisun Chinese Pharmaceutical Co.,Ltd.,Guangzhou 510006,China;Dongguan Institute of Guangzhou University of Chinese Medicine,Dongguan 523000,China;Guangdong Hexiang Pharmaceutical Co.,Ltd.,Guangzhou 510006,China)

机构地区：[1]广东药科大学中药学院/国家中医药管理局中药数字化质量评价技术重点研究室/广东高校中药质量工程技术研究中心,广东广州510006 [2]广东省中医药信息化重点实验室,广东广州510006 [3]广州至信中药饮片有限公司,广东广州510006 [4]东莞广州中医药大学研究院,广东东莞523000 [5]广东和翔制药有限公司,广东广州510006

出　　处：《广东药科大学学报》2023年第4期65-76,共12页Journal of Guangdong Pharmaceutical University

基　　金：广东省基础与应用基础研究基金自然科学基金(2022A1515011644);广东省中医药信息化重点实验室开放课题(2021B1212040007);东莞市社会科技发展项目(2019507101164,2019507101506);番禺区产业人才项目(2021-R01-6)。

摘　　要：目的基于近红外光谱结合化学计量学快速判别佛手生、制品并对内在成分含量进行预测,为佛手饮片质量控制提供依据。方法利用高效液相色谱法测定佛手饮片中莨菪亭、橙皮苷、6,7-二甲氧基香豆素、白当归素、5,7-二甲氧基香豆素、佛手柑内酯含量,利用近红外光谱采集样品光谱信息,结合化学计量学方法建立佛手生、制品定性和定量模型,快速判别佛手生、制品和预测成分含量。结果近红外技术偏最小二乘法-判别分析对佛手及其炮制品的分类鉴别达到100%正判率;对含量测定的6种成分中的3种(莨菪亭、5,7-二甲氧基香豆素、白当归素)的含量预测精度高,其中莨菪亭定量模型的决定系数(R2)为0.8951,校正均方根误差(RMSEC)为0.0320,预测均方根误差(RMSEP)为0.0175,验证集R2为0.8463,交叉验证均方根误差(RMSECV)为0.0541;5,7-二甲氧基香豆素定量模型的R2为0.9080,RMSEC为0.0242,验证集R2为0.7937,RMSEP为0.0446,RMSECV为0.0387;白当归素定量模型R2为0.9184,RMSEC为0.0276,验证集R2为0.7714,RMSEP为0.0275,RMSECV为0.0404。结论基于近红外光谱技术对佛手及其炮制品的鉴别和含量预测的方法具有可操作性,且简单快速,对样品无损害。为佛手及其炮制品质量控制和临床应用提供参考。Objective Based on near-infrared spectroscopy and chemometrics,a rapid qualitative discriminant and a content prediction model were established to evaluate the quality of Citri Sarcodactylis Fructus and its processed products.Methods The contents of five compounds were determined by high-performance liquid chromatography.Near infrared spectroscopy was used to collect the spectral information of samples,and the qualitative and quantitative models were established to quickly distinguish the different products and predict the content of components with the stoichiometry method.Results The positive judgment rate of partial least squares discriminant analysis was 100%.The content of scopoletin,5,7-dimethoxycoumarin,and angelicin of the six compoundswas predicted with high accuracy.The R2 of quantitative model of scopoltine was 0.8951,RMSEC was 0.0320,RMSEP was 0.0175,R2 of validation set was 0.8463,RMSECV was 0.0541.R2 of quantitative model of 5,7-dimethoxycoumarin was 0.9080,RMSEC was 0.0242,R2 of validation set was 0.7937,RMSEP was 0.0446,RMSECV was 0.0387.The R2 of quantitative model of angelicin was 0.9184,RMSEC was 0.0276,R2of validation set was 0.7714,RMSEP was 0.0275,and RMSECV was 0.0404.Conclusion The method of qualitative identification and content prediction of Citri Sarcodactylis Fructus and its processed products has the advantages of operability,simplicity,rapidness,and no damage to samples,which provides a reference for quality control and clinical application of the Citri Sarcodactylis Fructus andits processed products.

关 键 词：佛手 蒸佛手 近红外光谱 快速判别 定量模型 

分 类 号：R284.1[医药卫生—中药学]