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.

To assess if SARS-CoV-2 infection induces changes in the urinary volatilomic fingerprint able to be used in the non-invasive COVID-19 diagnosis and management, urine samples of SARS-CoV-2 infected patients (62), recovered COVID-19 patients (30), and non-infected individuals (41) were analysed using solid-phase microextraction technique in headspace mode, combined with gas chromatography hyphenated with mass spectrometry (HS-SPME/GC-MS). In total, 101 volatile organic metabolites (VOMs) from 13 chemical families were identified, being terpenes, phenolic compounds, norisoprenoids, and ketones the most represented groups. Overall, a decrease in the levels of terpenes and phenolic compounds was observed in the control group, whereas norisoprenoids and ketones showed a significant increase. In turn, a remarkable increase was noticed in norisoprenoids and ketones and a milder increase in alcohols, furanic, and sulfur compounds in the recovery group than in the COVID-19 group. Multivariate statistical analysis identified sets of VOMs with the potential to constitute volatile signatures for COVID-19 development and progression. These signatures are composed of D-carvone, 3-methoxy-5-(trifluoromethyl)aniline (MTA), 1,1,6-trimethyl-dihydronaphthalene (TDN), 2-heptanone, and 2,5,5,8a-tetramethyl-1,2,3,5,6,7,8,8-octahydro-1-naphthalenyl ester acetate (TONEA) for COVID-19 infection and nonanoic acid, α-terpinene, β-damascenone, α-isophorone, and trans-furan linalool for patients recovering from the disease. This study provides evidence that changes in the urinary volatilomic profile triggered by SARS-CoV-2 infection constitute a promising and valuable screening and/or diagnostic and management tool for COVID-19 in clinical environment.