Geographic origin discrimination and quantification of phenolic compounds and moisture in Artemisia argyi folium using NIRS and chemometrics

Artemisia argyi Folium (AAF), the leaf of the perennial plant Artemisia argyi H. Léveillé & Vaniot, has a long history of medicinal and edible use in East Asia. This study developed a rapid method, which integrated near-infrared spectroscopy (NIRS) and chemometrics to discriminate the geogra...

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Main Authors: Lifei Hu, Yifan Wang, Xin Wu, Yuanyuan Shan, Fengxiao Zhu, Fan Zhang, Qiang Yang, Mingxing Liu
Format: Article
Language:English
Published: Elsevier 2025-10-01
Series:Journal of Agriculture and Food Research
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Online Access:http://www.sciencedirect.com/science/article/pii/S2666154325006660
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author Lifei Hu
Yifan Wang
Xin Wu
Yuanyuan Shan
Fengxiao Zhu
Fan Zhang
Qiang Yang
Mingxing Liu
author_facet Lifei Hu
Yifan Wang
Xin Wu
Yuanyuan Shan
Fengxiao Zhu
Fan Zhang
Qiang Yang
Mingxing Liu
author_sort Lifei Hu
collection DOAJ
description Artemisia argyi Folium (AAF), the leaf of the perennial plant Artemisia argyi H. Léveillé & Vaniot, has a long history of medicinal and edible use in East Asia. This study developed a rapid method, which integrated near-infrared spectroscopy (NIRS) and chemometrics to discriminate the geographic origin of AAF and quantify its phenolic components and moisture content. Phenolic-based analysis of adjacent-origin samples with varying storage times demonstrated that storage duration minimally affected geographical origin discrimination of AAF, and it provided a chemical basis for using cross-year samples in NIRS analysis. Multivariate statistical analysis (four methods) and six machine learning algorithms were employed for origin discrimination. The results showed that partial least squares discriminant analysis (PLS-DA) and orthogonal partial least squares discriminant analysis (OPLS-DA) outperformed unsupervised methods, with key wavenumbers in high and low-frequency regions showing similarities, but exhibiting differences mainly in the 7783–6773 cm−1 range. Spectral preprocessing methods (Savitzky-Golay smoothing, normalization, standard normal variate, and multiplicative scatter correction) enhanced machine learning performance, with support vector machine (SVM), radial basis function (RBF), and convolutional neural network (CNN) models achieving scores of 1.0000 across performance metrics, indicating strong generalization and robustness. Partial least squares regression (PLSR) models for 17 phenolic components and moisture content were screened using different preprocessing methods, identifying three parameters suitable for rapid quantification: eupatilin, jaceosidin, and moisture. This NIRS-based approach achieved a higher detection efficiency and lower cost compared to conventional methods and thus provides a rapid and efficient solution for the geographic traceability and quantitative evaluation of AAF.
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publishDate 2025-10-01
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spelling doaj-art-23e1c4c6cbcc468ebdc749f7c4e1ced82025-08-23T04:49:11ZengElsevierJournal of Agriculture and Food Research2666-15432025-10-012310229510.1016/j.jafr.2025.102295Geographic origin discrimination and quantification of phenolic compounds and moisture in Artemisia argyi folium using NIRS and chemometricsLifei Hu0Yifan Wang1Xin Wu2Yuanyuan Shan3Fengxiao Zhu4Fan Zhang5Qiang Yang6Mingxing Liu7Cooperative Innovation Center of Industrial Fermentation (Ministry of Education & Hubei Province), National ''111'' Center for Cellular Regulation and Molecular Pharmaceutics, Key Laboratory of Fermentation Engineering (Ministry of Education), Hubei Key Laboratory of Industrial Microbiology, School of Life and Health Sciences, Hubei University of Technology, Wuhan, 430068, China; Hubei Key Lab of Quality and Safety of Traditional Chinese Medicine & Health Food, Jing Brand Research Institute, Jing Brand Co. Ltd., Huangshi, 435100, ChinaCooperative Innovation Center of Industrial Fermentation (Ministry of Education & Hubei Province), National ''111'' Center for Cellular Regulation and Molecular Pharmaceutics, Key Laboratory of Fermentation Engineering (Ministry of Education), Hubei Key Laboratory of Industrial Microbiology, School of Life and Health Sciences, Hubei University of Technology, Wuhan, 430068, ChinaHubei Key Lab of Quality and Safety of Traditional Chinese Medicine & Health Food, Jing Brand Research Institute, Jing Brand Co. Ltd., Huangshi, 435100, ChinaHubei Key Lab of Quality and Safety of Traditional Chinese Medicine & Health Food, Jing Brand Research Institute, Jing Brand Co. Ltd., Huangshi, 435100, ChinaCooperative Innovation Center of Industrial Fermentation (Ministry of Education & Hubei Province), National ''111'' Center for Cellular Regulation and Molecular Pharmaceutics, Key Laboratory of Fermentation Engineering (Ministry of Education), Hubei Key Laboratory of Industrial Microbiology, School of Life and Health Sciences, Hubei University of Technology, Wuhan, 430068, ChinaHubei Provincial Engineering Technology Research Center of Traditional Chinese Medicine Formula Granules, Jing Brand Chizhengtang Pharmaceutical Co. Ltd., Huangshi, 435100, ChinaHubei Key Lab of Quality and Safety of Traditional Chinese Medicine & Health Food, Jing Brand Research Institute, Jing Brand Co. Ltd., Huangshi, 435100, ChinaCooperative Innovation Center of Industrial Fermentation (Ministry of Education & Hubei Province), National ''111'' Center for Cellular Regulation and Molecular Pharmaceutics, Key Laboratory of Fermentation Engineering (Ministry of Education), Hubei Key Laboratory of Industrial Microbiology, School of Life and Health Sciences, Hubei University of Technology, Wuhan, 430068, China; Corresponding author.Artemisia argyi Folium (AAF), the leaf of the perennial plant Artemisia argyi H. Léveillé & Vaniot, has a long history of medicinal and edible use in East Asia. This study developed a rapid method, which integrated near-infrared spectroscopy (NIRS) and chemometrics to discriminate the geographic origin of AAF and quantify its phenolic components and moisture content. Phenolic-based analysis of adjacent-origin samples with varying storage times demonstrated that storage duration minimally affected geographical origin discrimination of AAF, and it provided a chemical basis for using cross-year samples in NIRS analysis. Multivariate statistical analysis (four methods) and six machine learning algorithms were employed for origin discrimination. The results showed that partial least squares discriminant analysis (PLS-DA) and orthogonal partial least squares discriminant analysis (OPLS-DA) outperformed unsupervised methods, with key wavenumbers in high and low-frequency regions showing similarities, but exhibiting differences mainly in the 7783–6773 cm−1 range. Spectral preprocessing methods (Savitzky-Golay smoothing, normalization, standard normal variate, and multiplicative scatter correction) enhanced machine learning performance, with support vector machine (SVM), radial basis function (RBF), and convolutional neural network (CNN) models achieving scores of 1.0000 across performance metrics, indicating strong generalization and robustness. Partial least squares regression (PLSR) models for 17 phenolic components and moisture content were screened using different preprocessing methods, identifying three parameters suitable for rapid quantification: eupatilin, jaceosidin, and moisture. This NIRS-based approach achieved a higher detection efficiency and lower cost compared to conventional methods and thus provides a rapid and efficient solution for the geographic traceability and quantitative evaluation of AAF.http://www.sciencedirect.com/science/article/pii/S2666154325006660Artemisia argyi foliumNear-infrared spectroscopyChemometricsMachine learningGeographic origin discriminationQuantification
spellingShingle Lifei Hu
Yifan Wang
Xin Wu
Yuanyuan Shan
Fengxiao Zhu
Fan Zhang
Qiang Yang
Mingxing Liu
Geographic origin discrimination and quantification of phenolic compounds and moisture in Artemisia argyi folium using NIRS and chemometrics
Journal of Agriculture and Food Research
Artemisia argyi folium
Near-infrared spectroscopy
Chemometrics
Machine learning
Geographic origin discrimination
Quantification
title Geographic origin discrimination and quantification of phenolic compounds and moisture in Artemisia argyi folium using NIRS and chemometrics
title_full Geographic origin discrimination and quantification of phenolic compounds and moisture in Artemisia argyi folium using NIRS and chemometrics
title_fullStr Geographic origin discrimination and quantification of phenolic compounds and moisture in Artemisia argyi folium using NIRS and chemometrics
title_full_unstemmed Geographic origin discrimination and quantification of phenolic compounds and moisture in Artemisia argyi folium using NIRS and chemometrics
title_short Geographic origin discrimination and quantification of phenolic compounds and moisture in Artemisia argyi folium using NIRS and chemometrics
title_sort geographic origin discrimination and quantification of phenolic compounds and moisture in artemisia argyi folium using nirs and chemometrics
topic Artemisia argyi folium
Near-infrared spectroscopy
Chemometrics
Machine learning
Geographic origin discrimination
Quantification
url http://www.sciencedirect.com/science/article/pii/S2666154325006660
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