中短波近红外光谱快速检测红茶中的着色剂。

IF 2.6 3区 化学 Q2 CHEMISTRY, ANALYTICAL
Zhengfei Luo, Yunfeng Chai, Guohua Zhao, Dongling Qiao, Fayin Ye, Lin Lei and Jia Chen
{"title":"中短波近红外光谱快速检测红茶中的着色剂。","authors":"Zhengfei Luo, Yunfeng Chai, Guohua Zhao, Dongling Qiao, Fayin Ye, Lin Lei and Jia Chen","doi":"10.1039/D5AY00480B","DOIUrl":null,"url":null,"abstract":"<p >This study investigated the feasibility of using mid- and short-wave near-infrared (MS-NIR) spectroscopy for the rapid detection of colorants in black tea. A portable spectrometer was employed to acquire MS-NIR spectra from black tea samples. Support vector machine (SVM) and random forest (RF) models were developed for the discriminative detection of three colorants: tartrazine, sunset yellow, and ponceau 4R. The spectral preprocessing was optimized, and the predictive performance of the models was evaluated using validation data. The results indicated that, owing to the low concentration of colorants in black tea, the MS-NIR-based model was unsuitable for quantitative detection but effective for determining whether colorants were present. Overall, the discriminative capability of the SVM model surpassed that of the RF model. Following spectral preprocessing, the optimal SVM model achieved accuracy, precision, recall, and <em>F</em><small><sub>1</sub></small>-score values of (97.50%, 96.15%, 100.00%, 0.9804), (95.00%, 96.00%, 96.00%, 0.9600), and (97.50%, 96.15%, 100.00%, 0.9804) for tartrazine, sunset yellow, and ponceau 4R, respectively. These findings demonstrate the feasibility of using MS-NIR for the rapid and discriminative identification of colorants in black tea. In practical applications, discriminative detection can serve as an initial rapid screening tool, followed by more precise quantitative detection methods to determine colorant concentrations.</p>","PeriodicalId":64,"journal":{"name":"Analytical Methods","volume":" 28","pages":" 5897-5905"},"PeriodicalIF":2.6000,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Rapid detection of colorants in black tea using mid- and short-wave near infrared spectroscopy†\",\"authors\":\"Zhengfei Luo, Yunfeng Chai, Guohua Zhao, Dongling Qiao, Fayin Ye, Lin Lei and Jia Chen\",\"doi\":\"10.1039/D5AY00480B\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >This study investigated the feasibility of using mid- and short-wave near-infrared (MS-NIR) spectroscopy for the rapid detection of colorants in black tea. A portable spectrometer was employed to acquire MS-NIR spectra from black tea samples. Support vector machine (SVM) and random forest (RF) models were developed for the discriminative detection of three colorants: tartrazine, sunset yellow, and ponceau 4R. The spectral preprocessing was optimized, and the predictive performance of the models was evaluated using validation data. The results indicated that, owing to the low concentration of colorants in black tea, the MS-NIR-based model was unsuitable for quantitative detection but effective for determining whether colorants were present. Overall, the discriminative capability of the SVM model surpassed that of the RF model. Following spectral preprocessing, the optimal SVM model achieved accuracy, precision, recall, and <em>F</em><small><sub>1</sub></small>-score values of (97.50%, 96.15%, 100.00%, 0.9804), (95.00%, 96.00%, 96.00%, 0.9600), and (97.50%, 96.15%, 100.00%, 0.9804) for tartrazine, sunset yellow, and ponceau 4R, respectively. These findings demonstrate the feasibility of using MS-NIR for the rapid and discriminative identification of colorants in black tea. In practical applications, discriminative detection can serve as an initial rapid screening tool, followed by more precise quantitative detection methods to determine colorant concentrations.</p>\",\"PeriodicalId\":64,\"journal\":{\"name\":\"Analytical Methods\",\"volume\":\" 28\",\"pages\":\" 5897-5905\"},\"PeriodicalIF\":2.6000,\"publicationDate\":\"2025-06-30\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Analytical Methods\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.rsc.org/en/content/articlelanding/2025/ay/d5ay00480b\",\"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":"Analytical Methods","FirstCategoryId":"92","ListUrlMain":"https://pubs.rsc.org/en/content/articlelanding/2025/ay/d5ay00480b","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

研究了中短波近红外(MS-NIR)光谱法快速检测红茶中着色剂的可行性。采用便携式光谱仪对红茶样品进行了MS-NIR光谱分析。建立了支持向量机(SVM)和随机森林(RF)模型,对酒石黄、日落黄和ponceau 4R三种着色剂进行判别检测。对光谱预处理进行了优化,并利用验证数据对模型的预测性能进行了评价。结果表明,由于红茶中着色剂的浓度较低,基于ms - nir的模型不适合定量检测,但可以有效地确定着色剂的存在。总体而言,SVM模型的判别能力优于RF模型。经过光谱预处理后,最优SVM模型对酒石黄、日落黄和ponceau 4R的正确率、精密度、召回率和f1得分分别为(97.50%、96.15%、100.00%、0.9804)、(95.00%、96.00%、96.00%、0.9600)和(97.50%、96.15%、100.00%、0.9804)。这些结果证明了用MS-NIR快速鉴别红茶中着色剂的可行性。在实际应用中,判别检测可作为初始快速筛选工具,随后采用更精确的定量检测方法来确定着色剂浓度。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Rapid detection of colorants in black tea using mid- and short-wave near infrared spectroscopy†

Rapid detection of colorants in black tea using mid- and short-wave near infrared spectroscopy†

This study investigated the feasibility of using mid- and short-wave near-infrared (MS-NIR) spectroscopy for the rapid detection of colorants in black tea. A portable spectrometer was employed to acquire MS-NIR spectra from black tea samples. Support vector machine (SVM) and random forest (RF) models were developed for the discriminative detection of three colorants: tartrazine, sunset yellow, and ponceau 4R. The spectral preprocessing was optimized, and the predictive performance of the models was evaluated using validation data. The results indicated that, owing to the low concentration of colorants in black tea, the MS-NIR-based model was unsuitable for quantitative detection but effective for determining whether colorants were present. Overall, the discriminative capability of the SVM model surpassed that of the RF model. Following spectral preprocessing, the optimal SVM model achieved accuracy, precision, recall, and F1-score values of (97.50%, 96.15%, 100.00%, 0.9804), (95.00%, 96.00%, 96.00%, 0.9600), and (97.50%, 96.15%, 100.00%, 0.9804) for tartrazine, sunset yellow, and ponceau 4R, respectively. These findings demonstrate the feasibility of using MS-NIR for the rapid and discriminative identification of colorants in black tea. In practical applications, discriminative detection can serve as an initial rapid screening tool, followed by more precise quantitative detection methods to determine colorant concentrations.

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
Analytical Methods
Analytical Methods CHEMISTRY, ANALYTICAL-FOOD SCIENCE & TECHNOLOGY
CiteScore
5.10
自引率
3.20%
发文量
569
审稿时长
1.8 months
期刊介绍: Early applied demonstrations of new analytical methods with clear societal impact
×
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