Preprint Article Version 1 This version is not peer-reviewed

Molecular Networking from Volatilome of Theobroma grandiflorum (Copoazu) at Different stages of Maturation Analyzed by HS-SPME-GC-MS

Version 1 : Received: 1 October 2024 / Approved: 1 October 2024 / Online: 2 October 2024 (09:42:04 CEST)

How to cite: Valencia, M.; Pérez-Beltrán, M.; López, G.-D.; Carazzone, C.; Galeano Garcia, P. Molecular Networking from Volatilome of Theobroma grandiflorum (Copoazu) at Different stages of Maturation Analyzed by HS-SPME-GC-MS. Preprints 2024, 2024100097. https://doi.org/10.20944/preprints202410.0097.v1 Valencia, M.; Pérez-Beltrán, M.; López, G.-D.; Carazzone, C.; Galeano Garcia, P. Molecular Networking from Volatilome of Theobroma grandiflorum (Copoazu) at Different stages of Maturation Analyzed by HS-SPME-GC-MS. Preprints 2024, 2024100097. https://doi.org/10.20944/preprints202410.0097.v1

Abstract

Theobroma grandiflorum (copoazu) is a plant native to South America that is cultivated in countries within the Amazon region. Its phytochemical composition imparts characteristic organoleptic properties, making it an exotic fruit. In this study, headspace solid-phase microextraction (HS-SPME) combined with gas chromatography-mass spectrometry (GC-MS) was employed to identify the volatile organic compounds (VOCs) produced by copoazu. Initially, optimal sample pretreatment conditions were determined using a design of experiments (DoE) approach. Analysis of the volatile profiles enabled the identification of 103 copoazu VOCs during three ripening stages. 97 VOCs were classified based on their chemical compound families using spectral correlation analysis in different libraries and databases, as well as their molecular networks. Additionally, a volatilomic analysis was conducted to study the variation in VOCs in the three ripening stages of copoazu. Through molecular network analysis, it was determined that the VOCs emitted by the fruit are correlated with the interconversion of compounds, which is observed when studying the metabolic pathways. The results provide a detailed analysis of the copoazu volatilome and will provide insight into the organoleptic characteristics of this Amazonian fruit. Esters and terpenes such as α-terpineol, β-pinene, linalool, 2-methylbutyl butanoate, 3-methylbut-2-enoic acid, 2-methylpentyl ester, ethyl 4-methylpentanoate, vinyl acetate, isobutyl hexanoate among others were found as potential biomarkers in the copoazu ripening process.

Keywords

Theobroma grandiflorum; HS-SPME; GC-MS; Volatilomics; Molecular Networking

Subject

Chemistry and Materials Science, Analytical Chemistry

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