LC-MS and GC-MS Data Fusion Metabolomics Profiling Coupled with Multivariate Analysis for the Discrimination of Different Parts of Faustrime Fruit and Evaluation of Their Antioxidant Activity

Antioxidants (Basel). 2023 Feb 24;12(3):565. doi: 10.3390/antiox12030565.

Abstract

The comparative chemical composition of different part of Faustrime fruits (peels, pulp, albedo, and seeds) extracted with different solvents was determined by GC-MS and UHPLC-HRMS QTof. The obtained data were also combined for their in vitro antioxidant activity by multivariate analysis to define a complex fingerprint of the fruit. The principal component analysis model showed the significative occurrence of volatile organic compounds as α-bisabolol and α-trans-bergamotol in the pulp and albedo, hexanoic acid in the seeds, and several coumarins and phenolics in the peels. The higher radical scavenging activity of the pulp was related to the incidence of citric acid in partial least square regression.

Keywords: Citrus autralasica; antioxidants; foodomics; multivariate data analysis; novel foods; polyphenols; principal component analysis.

Grants and funding

Project funded under the National Recovery and Resilience Plan (NRRP), Mission 4. Component 2 Investment 1.4—Call for tender No. 3138 of 16 December 2021, rectified by Decree n.3175 of 18 December 2021 of Italian Ministry of University and Research funded by the European Union—NextGenerationEU; Award Number: Project code CN_00000033, Concession Decree No. 1034 of 17 June 2022. Adopted by the Italian Ministry of University and Research, CUP, H43C22000530001 Project title “National Biodiversity Future Center—NBFC”.