ATR-FTIR combined with chemometrics to distinguish geographical indications from non-geographical indications <i>Gastrodia elata</i> Bl

Gastrodia elata Bl ( G. elata ), a medicinal and edible homologous variety, has been artificially cultivated in different regions of China to meet the growing demands of human beings. In this study, attenuated total reflection/Fourier transform infrared spectroscopy (ATR/FTIR) combined with chemometrics [Principal component analysis (PCA), Partial least squares discrimination (PLS-DA), Support vector machines (SVM), and Data-driven soft independent modeling of class analogy (DD-SIMCA)] was used to differentiate between geographical indications and non-geographical indications of G. elata . PLS-DA, after the application of SNV+SD spectral preprocessing, achieved 100% accuracy on the training set and 88.89% on the test set, respectively. Under SG+SD conditions, SVM outperformed PLS-DA with 100% training set accuracy and 94.74% for the test set. A ResNet model that used synchronous 2DCOS data successfully distinguished G. elata from Yunnan and Guizhou, achieving 100% accuracy across training, test, and external validation sets. These findings support that ATR-FTIR and chemometrics can be utilized to effectively identify the geographical origin of G. elata , with potential applications for other medicinal and edible plants.

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Publication Details

Journal
Arabian Journal of Chemistry
Published
2025-05-09
DOI
https://doi.org/10.25259/ajc_254_2024
Citations
2
Primary Topic
Spectroscopy and Chemometric Analyses
Type
article
Field-Weighted Citation Impact
1.50
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article

ATR-FTIR combined with chemometrics to distinguish geographical indications from non-geographical indications Gastrodia elata Bl

Qiong He, Yuanzhong Wang, Heng-Yu Huang
2 citations
Arabian Journal of Chemistry
Spectroscopy and Chemometric Analyses
1.50
article

ATR-FTIR combined with chemometrics to distinguish geographical indications from non-geographical indications Gastrodia elata Bl

Qiong He, Yuanzhong Wang, Heng-Yu Huang
article en
2 citations

Abstract

Gastrodia elata Bl ( G. elata ), a medicinal and edible homologous variety, has been artificially cultivated in different regions of China to meet the growing demands of human beings. In this study, attenuated total reflection/Fourier transform infrared spectroscopy (ATR/FTIR) combined with chemometrics [Principal component analysis (PCA), Partial least squares discrimination (PLS-DA), Support vector machines (SVM), and Data-driven soft independent modeling of class analogy (DD-SIMCA)] was used to differentiate between geographical indications and non-geographical indications of G. elata . PLS-DA, after the application of SNV+SD spectral preprocessing, achieved 100% accuracy on the training set and 88.89% on the test set, respectively. Under SG+SD conditions, SVM outperformed PLS-DA with 100% training set accuracy and 94.74% for the test set. A ResNet model that used synchronous 2DCOS data successfully distinguished G. elata from Yunnan and Guizhou, achieving 100% accuracy across training, test, and external validation sets. These findings support that ATR-FTIR and chemometrics can be utilized to effectively identify the geographical origin of G. elata , with potential applications for other medicinal and edible plants.

Arabian Journal of ChemistryVol. 18
Yunnan Academy of Agricultural Sciences (CN), Yunnan University of Traditional Chinese Medicine (CN)
Openalex Percentile: Top 20%
Spectroscopy and Chemometric Analyses
1.50
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ATR-FTIR combined with chemometrics to distinguish geographical indications from non-geographical indications <i>Gastrodia elata</i> Bl — Qiong He, Yuanzhong Wang, et al. · Arabian Journal of Chemistry (2025) | TGRS Research Map | TGRS