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

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.

A comparative metabolomic investigation of different sections of Sicilian Citrus x limon (L.) Osbeck, characterization of bioactive metabolites, and evaluation of in vivo toxicity on zebrafish embryo

“…In particular, the MS/MS spectra of compound 6 show m / z at 519.1145 and m / z at 489.1039, related to the loss of the first C ‐glycoside residue along with the presence of m / z at 399.0719 and 369.0612, attributed to the loss of the second C ‐glycoside residue. The match with MS/MS spectrum is related to lucenin 2 (Cannavacciuolo et al., 2023). The product ion 300.1458 [M‐(C 12 H 22 O 11 )‐H] − in the MS/MS spectrum of compound 13 corresponds to the neutral loss of a rutinoside unit formed by a deoxyhexose sugar (146 Da) and hexose moiety (162 Da) linked via O ‐glycosylation to the scaffold.…”

“…The radical scavenging activity of extracts was determined using the 1,1‐diphenyl‐2‐picrylhydrazyl radical (DPPH • ) and 2,2‐azinobis‐(3‐ethylbenzothiazoline‐6‐sulfonate radical cation) (ABTS •+ ) by the slightly modified methods previously described (Cannavacciuolo et al., 2023). Briefly, an aliquot (50 µL) of the extract (1 mg mL −1 ) or standard solution (2.5–10 µg mL −1 ) was added to 950 µL of prepared DPPH • radical solution (0.14 mM).…”

“…Hydroalcoholic extraction of all parts (peel, pulp, seeds, and albedo) of the lemon of both FS and FZB cultivars was performed as reported in our paper with slight modification (Cannavacciuolo et al, 2023). The matrices were dried in an oven at a controlled temperature of 40 • C; throughout the drying process, a digital balance (Sartorius Weighing Technology, GmbH) was used to record the weight change until all samples reached an unchanged weight evolution to the respective part (2-4 days) and then were reduced to powder by mechanical grinding.…”