Revista Mexicana de Ingeniería Química, Vol. 22, No. 2 (2023), Alim2382

Statistical analysis on phenolic compounds dataset obtained by HPLC-MS/MS in fruit juices as a discrimination tool

J. Llupa, E. Kalluci, D. Topi, K. Akrida-Demertzis, P. Demertzis

https://doi.org/10.24275/rmiq/Alim2382

Supplementary material

Abstract

 

The phenolic profile patterns in selected fruit juices were investigated by conducting qualitative and quantitative analyses. Phenolic compounds comprise a broad range of secondary metabolites characterized by wide biological activity, with two of the most distinguished antioxidant and antimicrobial properties. Obtained through cold-press method, different fruits, such as apple, plum, cherry, and quince, were investigated concerning their phenolic profiles by Ultra-High-Performance Liquid Chromatography and Mass Spectroscopy. The mass data hunting identified 35 phenolic compounds. Application the Principal Component Analysis before and after phenolic group clustering enabled fruit juice discrimination according to their constituents. Principal Component Analysis effectively discriminated the main phenolic compounds and their fragments of first and second generations by resolving the regularity and discrepancy of the principal component statistically. These results indicate a strong correlation between hydroxybenzoic and phenolic acids, respectively, 89% and 54% with flavonols.

Keywords: fruit juice, phenolic compounds, UHPLC, PCA, Multivariance.

 

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