Discriminating geographical origins and determining active substances of water caltrop shells through near-infrared spectroscopy and chemometrics

Rui Li,Yan Liu,Zhenzhen Xia,Qiao Wang,Xin Liu,Zhiyong Gong

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy（2023）

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摘要

•Geographical origins of water caltrop shell were discriminated through PCA and LDA.•Two active substances in water caltrop shells were predicted through PLS.•Models were optimized using spectral preprocessing and variable selection methods.

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关键词

Near-infrared spectroscopy,Chemometrics,Water caltrop shell,Geographical discrimination,Phenolic compound,Flavonoid

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