三维荧光结合化学计量学用于白术的产地溯源  

Origin Traceability of Atractylodes Macrocephala Koidz.by Using Three-Way Fluorescence Coupled With Chemometrics

作　　者：陈伟 吴海龙[1] 王童 常月月 陈瑶 杨健[3] 付海燕[4] 杨小龙 李旭富 俞汝勤[1] CHEN Wei;WU Hai-long;WANG Tong;CHANG Yue-yue;CHEN Yao;YANG Jian;FU Hai-yan;YANG Xiao-long;LI Xu-fu;YU Ru-qin(State Key Laboratory of Chemo/Biosensing and Chemometrics,College of Chemistry and Chemical Engineering,Hunan University,Changsha 410082,China;Hunan Key Lab of Biomedical Materials and Devices,College of Life Sciences and Chemistry,Hunan University of Technology,Zhuzhou 412008,China;National Resource Center for Chinese Materia Medica,China Academy of Chinese Medical Sciences,State Key Laboratory Breeding Base of Dao-di Herbs,Beijing 100700,China;The Modernization Engineering Technology Research Center of Ethnic Minority Medicine of Hubei Province,School of Pharmaceutical Sciences,South-Central University for Nationalities,Wuhan 430074,China;Beijing Tongrentang Pingjiang Atractylodes Macrocephala Koidz.Co.,Ltd.,Pingjiang 414500,China)

机构地区：[1]湖南大学化学化工学院,化学生物传感与计量学国家重点实验室,湖南长沙410082 [2]湖南工业大学生命科学与化学学院,湖南省生物医用纳米材料与器件重点实验室,湖南株洲412008 [3]中国中医科学院中药资源中心,道地药材国家重点实验室培育基地,北京100700 [4]中南民族大学药学院,湖北省民族药物现代化工程技术研究中心,湖北武汉430074 [5]北京同仁堂平江白术有限公司,湖南平江414500

出　　处：《光谱学与光谱分析》2022年第9期2875-2883,共9页Spectroscopy and Spectral Analysis

基　　金：国家重点研发计划项目(2020YFC1712700);国家自然科学基金项目(21775039,21521063)资助。

摘　　要：白术是一种著名中药材,其品质与其种植产地密切关联,迫切需要寻找一种能快速对白术进行品质鉴定和产地溯源的方法。白术含有多种内源荧光物质,可为三维荧光技术鉴定白术的产地提供依据。首先使用交替三线性分解(ATLD)对白术三维荧光光谱进行表征,再将三维荧光光谱与偏最小二乘判别分析(PLS-DA)和k最邻近法(kNN)两种模式识别方法相结合对白术样品进行产地溯源。结果表明,PLS-DA和kNN各自建立的分类模型能有效对三大白术产区(安徽、湖南和浙江)的样本进行区分,对预测集中白术道地药材浙江白术的分类准确率(CCR)分别高达80%和90%。所建立方法为白术的产地溯源提供一种新颖、快速的解决方案,有利于维护白术市场的秩序,利于其产业发展。Atractylodes macrocephala Koidz.(AM)is a famous traditional Chinese medicine,the quality of AM is directly related to the producing area,so it is urgent to find a method to quickly identify the quality of AM and trace its origin.AM contains various endogenous fluorescent substances,which can provide a basis for identifying the origin of AM by three-way fluorescence technology.In this paper,the three-way fluorescence spectrum of AM was characterized by alternating trilinear decomposition(ATLD),and then three-way fluorescence was combined with partial least squares discriminant analysis(PLS-DA)and k-Nearest Neighbors(kNN)to trace the origin of AM samples.The results show that the classification models established by PLS-DA and kNN could effectively distinguish samples from the three major AM production areas(Anhui,Hunan,and Zhejiang),and the classificationaccurate rate(CCR)of Zhejiang AM,a Dao-di AM herbs,is as high as 80%and 90 in the prediction set,respectively.The proposed method provides a novel and rapid solution for the origin traceability of AM,which is conducive to maintaining the order of AM market and its industrial development.

关 键 词：白术 化学计量学 三维荧光 交替三线性分解 产地溯源 

分 类 号：R282.5[医药卫生—中药学]