ATR-FTIR作为天麻多生物变异影响下的绿色快速鉴定工具

IF 2.7 3区 化学 Q2 CHEMISTRY, ANALYTICAL
Zhiyi Ji , Honggao Liu , Jieqing Li , Yuanzhong Wang
{"title":"ATR-FTIR作为天麻多生物变异影响下的绿色快速鉴定工具","authors":"Zhiyi Ji ,&nbsp;Honggao Liu ,&nbsp;Jieqing Li ,&nbsp;Yuanzhong Wang","doi":"10.1016/j.vibspec.2024.103766","DOIUrl":null,"url":null,"abstract":"<div><div>Rapid authentication of labelling information for medicinal and edible plants interfered by multiple biological variability (species, origin, growth pattern, etc.) has always been an important challenge for market supervision and management as well as consumers purchase orientation. <em>Gastrodia elata</em> Blume (<em>G.elata</em>) is used both as a food and as an herbal medicine for the treatment of migraine, hyperglycaemia and epilepsy. The advantages of Attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy, which is a practical, fast and reliable spectroscopic technique used for solid samples, can be combined with chemometric models allows for fast confirmation of the desired label under the influence of different factors. A total of 344 <em>G.elata</em> samples from five geographic origins, three growth patterns and four species were discriminatively analyzed using ATR-FTIR spectra combined with the Orthogonal partial least squares discriminant analysis (OPLS-DA) model and Support Vector Machine (SVM) model. Spectra were preprocessed using S-G, FD, SD, MSC and SNV and their combinations to eliminate scattering and baseline drift, and the clustering results of PCA showed that S-G+SD preprocessing was the most effective. The models developed all had good accuracy with 97.09–100.00 % and Matthews correlation coefficient (Mcc) values of 0.80–1.00. The linear model PLSR and the nonlinear model SVR were used to predict the weight of dried individuals of <em>G.elata</em> for quality grade information, and the PLSR model with S-G+SD preprocessing could obtain a prediction accuracy of R<sup>2</sup><sub>P</sub> = 0.94 and RPD= 4.19. This study can provide a green and feasible method for the authenticity identification of <em>G.elata</em> labels under the influence of multiple biological variability, which is of great significance for the quality control and rapid detection of medicinal and edible plants in the market.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"136 ","pages":"Article 103766"},"PeriodicalIF":2.7000,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"ATR-FTIR as a green tool for rapid identity authentication of Gastrodia elata Blume under the influence of multi-biological variability\",\"authors\":\"Zhiyi Ji ,&nbsp;Honggao Liu ,&nbsp;Jieqing Li ,&nbsp;Yuanzhong Wang\",\"doi\":\"10.1016/j.vibspec.2024.103766\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Rapid authentication of labelling information for medicinal and edible plants interfered by multiple biological variability (species, origin, growth pattern, etc.) has always been an important challenge for market supervision and management as well as consumers purchase orientation. <em>Gastrodia elata</em> Blume (<em>G.elata</em>) is used both as a food and as an herbal medicine for the treatment of migraine, hyperglycaemia and epilepsy. The advantages of Attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy, which is a practical, fast and reliable spectroscopic technique used for solid samples, can be combined with chemometric models allows for fast confirmation of the desired label under the influence of different factors. A total of 344 <em>G.elata</em> samples from five geographic origins, three growth patterns and four species were discriminatively analyzed using ATR-FTIR spectra combined with the Orthogonal partial least squares discriminant analysis (OPLS-DA) model and Support Vector Machine (SVM) model. Spectra were preprocessed using S-G, FD, SD, MSC and SNV and their combinations to eliminate scattering and baseline drift, and the clustering results of PCA showed that S-G+SD preprocessing was the most effective. The models developed all had good accuracy with 97.09–100.00 % and Matthews correlation coefficient (Mcc) values of 0.80–1.00. The linear model PLSR and the nonlinear model SVR were used to predict the weight of dried individuals of <em>G.elata</em> for quality grade information, and the PLSR model with S-G+SD preprocessing could obtain a prediction accuracy of R<sup>2</sup><sub>P</sub> = 0.94 and RPD= 4.19. This study can provide a green and feasible method for the authenticity identification of <em>G.elata</em> labels under the influence of multiple biological variability, which is of great significance for the quality control and rapid detection of medicinal and edible plants in the market.</div></div>\",\"PeriodicalId\":23656,\"journal\":{\"name\":\"Vibrational Spectroscopy\",\"volume\":\"136 \",\"pages\":\"Article 103766\"},\"PeriodicalIF\":2.7000,\"publicationDate\":\"2025-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Vibrational Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S092420312400119X\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Vibrational Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S092420312400119X","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
引用次数: 0

摘要

受多种生物变异(物种、原产地、生长方式等)干扰的药用和食用植物标签信息的快速认证一直是市场监督管理和消费者购买导向的重要挑战。天麻既可作为食物,也可作为治疗偏头痛、高血糖和癫痫的草药。衰减全反射傅里叶变换红外光谱(ATR-FTIR)是一种实用、快速、可靠的固体样品光谱技术,它可以与化学计量模型相结合,在不同因素的影响下快速确定所需的标记。利用ATR-FTIR光谱结合正交偏最小二乘判别分析(OPLS-DA)模型和支持向量机(SVM)模型,对5个产地、3种生长模式和4个物种共344份天麻样本进行了判别分析。采用S-G、FD、SD、MSC和SNV及其组合对光谱进行预处理以消除散射和基线漂移,PCA聚类结果表明,S-G+SD预处理效果最好。所建立的模型准确率均达到97.09 ~ 100.00 %,Matthews相关系数(Mcc)值为0.80 ~ 1.00。利用线性模型PLSR和非线性模型SVR对干果单株的质量等级进行预测,经S-G+SD预处理的PLSR模型预测精度分别为R2P = 0.94和RPD= 4.19。本研究可为多重生物变异影响下的elata标签真伪鉴定提供一种绿色可行的方法,对市场上药用和食用植物的质量控制和快速检测具有重要意义。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
ATR-FTIR as a green tool for rapid identity authentication of Gastrodia elata Blume under the influence of multi-biological variability
Rapid authentication of labelling information for medicinal and edible plants interfered by multiple biological variability (species, origin, growth pattern, etc.) has always been an important challenge for market supervision and management as well as consumers purchase orientation. Gastrodia elata Blume (G.elata) is used both as a food and as an herbal medicine for the treatment of migraine, hyperglycaemia and epilepsy. The advantages of Attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy, which is a practical, fast and reliable spectroscopic technique used for solid samples, can be combined with chemometric models allows for fast confirmation of the desired label under the influence of different factors. A total of 344 G.elata samples from five geographic origins, three growth patterns and four species were discriminatively analyzed using ATR-FTIR spectra combined with the Orthogonal partial least squares discriminant analysis (OPLS-DA) model and Support Vector Machine (SVM) model. Spectra were preprocessed using S-G, FD, SD, MSC and SNV and their combinations to eliminate scattering and baseline drift, and the clustering results of PCA showed that S-G+SD preprocessing was the most effective. The models developed all had good accuracy with 97.09–100.00 % and Matthews correlation coefficient (Mcc) values of 0.80–1.00. The linear model PLSR and the nonlinear model SVR were used to predict the weight of dried individuals of G.elata for quality grade information, and the PLSR model with S-G+SD preprocessing could obtain a prediction accuracy of R2P = 0.94 and RPD= 4.19. This study can provide a green and feasible method for the authenticity identification of G.elata labels under the influence of multiple biological variability, which is of great significance for the quality control and rapid detection of medicinal and edible plants in the market.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Vibrational Spectroscopy
Vibrational Spectroscopy 化学-分析化学
CiteScore
4.70
自引率
4.00%
发文量
103
审稿时长
52 days
期刊介绍: Vibrational Spectroscopy provides a vehicle for the publication of original research that focuses on vibrational spectroscopy. This covers infrared, near-infrared and Raman spectroscopies and publishes papers dealing with developments in applications, theory, techniques and instrumentation. The topics covered by the journal include: Sampling techniques, Vibrational spectroscopy coupled with separation techniques, Instrumentation (Fourier transform, conventional and laser based), Data manipulation, Spectra-structure correlation and group frequencies. The application areas covered include: Analytical chemistry, Bio-organic and bio-inorganic chemistry, Organic chemistry, Inorganic chemistry, Catalysis, Environmental science, Industrial chemistry, Materials science, Physical chemistry, Polymer science, Process control, Specialized problem solving.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信