Distinction and quantification of Panax polysaccharide extracts via attenuated total reflectance-Fourier transform infrared spectroscopy with first-order derivative processing

• Published in: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Molecular and biomolecular spectroscopy, 2024-05, Vol.313, p.124124, Article 124124
• Main Authors: Yan, Zhi-Ping, Zhou, Fang-Yu, Liang, Jun, Kuang, Hai-Xue, Xia, Yong-Gang
• Format: Article
• Language: English
• Subjects: ATR-FTIR; Chemometrics; First-order derivative spectroscopy; Panax polysaccharide extracts
• ISSN: 1386-1425
• DOI: 10.1016/j.saa.2024.124124

[Display omitted] •A case study on Panax polysaccharide extracts was conducted utilizing ATR-FTIR with FD processing combined with chemometric analysis.•A nondestructive ATR-FTIR approach with FD processing and chemometric analysis was proposed for the first time to discriminate Panax polysaccharide extracts.•PLS and OPLS regression models are proposed to predict Panax polysaccharide extracts content.•The proposed strategy provides a nondestructive and reliable method for quality evaluation of Panax polysaccharide extracts. Derivative spectroscopy is used to separate the small absorption peaks superimposed on the main absorption band, which is widely adopted in modern spectral analysis to increase both the valid spectral information and the identification accuracy. In this study, a method based on attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) with first-order derivative (FD) processing combined with chemometrics is proposed for rapid qualitative and quantitative analysis of Panax ginseng polysaccharides (PGP), Panax notoginseng polysaccharides (PNP), and Panax quinquefolius polysaccharides (PQP). First, ATR-FTIR with FD processing was used to establish the discriminant model combined with principal component analysis (PCA), partial least squares discriminant analysis (PLS-DA) and linear discriminant analysis (LDA). After that, two-dimensional ATR-FTIR based on single-characteristic temperature as external interference (2D-sATR-FTIR) was established using ATR-FTIR with FD processing. Then, ATR-FTIR with FD processing was combined with PLS to establish and optimize the quantitative regression model. Finally, the established discriminant model and 2D-sATR-FTIR successfully distinguished PGP, PNP and PQP, and the optimal PLS regression model had a good prediction ability for the Panax polysaccharide extracts content. This strategy provides an efficient, economical and nondestructive method for the distinction and quantification of PGP, PNP and PQP in a short detection time.