Chemometrics and antioxidant activity assisted nontargeted metabolomics for the identification of ginger species.

Wan Tang, Si-Chen Zhu, Xiao-Jing Tan, Jun Cao, Li-Hong Ye

Journal of pharmaceutical and biomedical analysis 2023 Sep 20

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An ultrahigh-performance liquid chromatography coupled with ion mobility quadrupole time-of-flight mass spectrometry method was developed for the separation and identification of phenols, organic acids, flavonoids and curcumin in different species of ginger. The parameters affecting the separation and response of liquid chromatography, including the stationary phase and mobile phase, were systematically investigated and optimized. To further identify the differential metabolites in the six types of samples, a chemometric approach was introduced. Principal component analysis, cluster analysis and partial least squares discriminant analysis were used to identify the major components in the samples and to compare the compositional differences between the various samples. In addition, antioxidant experiments were designed to investigate the differences in antioxidant activity among the six ginger samples. The method showed good linearity (R2 ≥0.9903), satisfactory precision (RSD% ≤ 4.59 %), low LOD (0.35-25.86 ng/mL) and acceptable recovery (78-109 %) and reproducibility (RSD% ≤ 4.20 %). Therefore, the method has great potential for application in the compositional analysis and quality control of ginger. Copyright © 2023 Elsevier B.V. All rights reserved.

Citation

Wan Tang, Si-Chen Zhu, Xiao-Jing Tan, Jun Cao, Li-Hong Ye. Chemometrics and antioxidant activity assisted nontargeted metabolomics for the identification of ginger species. Journal of pharmaceutical and biomedical analysis. 2023 Sep 20;234:115546