基于激光诱导击穿光谱技术的三七产地及道地研究
Study on Geoherbalism and Origin Identification of Sanqi(Panax Notoginseng)Based on Laser-induced Breakdown Spectroscopy
车晓青 1夏子怡 2李坤玉 3李文 4刘晓娜2
作者信息
- 1. 滨州医学院中医学院,山东烟台 264003;山东祥隆医药研究院有限公司,山东烟台 264003
- 2. 滨州医学院中医学院,山东烟台 264003
- 3. 河北百草康神药业有限公司,河北深州 053800
- 4. 兰州大学,甘肃兰州 730000
- 折叠
摘要
目的 从元素角度出发,采用激光诱导击穿光谱(laser-induced breakdown spectroscopy,LIBS)结合化学计量学方法研究三七的道地性及产地鉴别.方法 采集云南文山三七和曲靖三七的LIBS光谱数据,进行数据归一化处理,利用偏最小二乘判别分析(PLS-DA)方法判别三七产地,并采用VIP值筛选出对产地判别模型的贡献大的元素.结果 基于LIBS技术和PLS-DA方法可以有效地进行云南文山三七和曲靖三七的产地判别.以450-840 nm全光谱为输入变量,PLS-DA判别模型训练集的敏感性、特异性和总判正率均为100％,预测集敏感性、特异性和总判正率分别为90.9％、90％和95％;以VIP值筛选的特征变量作为输入变量,PLS-DA判别分析模型的性能良好,训练集和预测集的敏感性、特异性和总判正率均为100％.表明VIP值筛选的特征变量可代表三七的产地信息.贡献度较大的元素分别为:Si、Mg、Ca、Na、K等.结论 LIBS技术结合多变量分析方法能够快速实现云南文山三七和曲靖三七的道地性研究.所建立的方法具有分析快速、近似无损、样品前处理简单等特点,为中药产地和道地性研究提供新思路.
Abstract
Objective The genuineness and origin identification of Sanqi(Panax Notoginseng)were studied based on laser-induced breakdown spectroscopy(LIBS)combined with chemometrics.Method Partial least squares discriminant analysis(PLS-DA)was implemented to discrimate origin of Sanqi(Panax Notoginseng)from Wenshan and Qujing in Yunnan province.Then VIP value was used to screen the important elements contributing to the classification.Results Combined with PLS-DA,LIBS can discriminant Sanqi(Panax Notoginseng)of Wenshan and Qujing effectively.The PLS-DA model using complete spectra as input variables showed good classification performance.The specificity,sensitivity and total accuracy were all 100％in training set of PLS-DA model,and were 90.9％,90％and 95％in the validation set,respectively.The VIP value was used to screen the variables contributing to the classification of PLS-DA model.Furthermore,the other PLS-DA model was constructed using the screen the variables by VIP value as input variables,which had better discrimination performance.The down-selection of the dataset specifically focused on the major elements(Si,Mg,Ca,Na and K),devoting to the geoherbalism of Sanqi(Panax Notogin-seng).Conclusion This work proposed a novel method for origin identification and geoherbalism study of Chinese medicine.
关键词
道地性/产地/三七/激光诱导击穿光谱/元素Key words
geoherbalism/origin identification/Sanqi(Panax Notoginseng)/laser-induced breakdown spectroscopy(LIBS)/element引用本文复制引用
基金项目
国家自然科学基金项目(81903796)
国家重点研发计划项目(2019YFC1711204)
山东省自然科学基金面上项目(ZR2022MH159)
中国中医科学院科技创新工程项目(C12021A03704)
出版年
2024
NETL
NSTL
万方数据