UHPLC–MS Characterization, and Antioxidant and Nutritional Analysis of Cocoa Waste Flours from the Peruvian Amazon

Abstract

Cocoa (Theobroma cacao) is a food product used worldwide and a key raw material for chocolate manufacturing. Cocoa possesses bioactive compounds such as methylxanthines, flavonoids, procyanidins, and related molecules with medicinal or health-promoting properties. Cocoa shell and pod husk have been proposed as a by-product with several interesting bioactivities, and the gummy residue or glue (a sticky, gluey by-product known as “mucilage” in Spanish) is used to produce liquors and is eaten as a food in Perú. However, little is known about the chemical composition and bioactivity of flours made from Peruvian cocoa ecotype wastes such as those from the vein and pod husk of the fruits. This study aimed to characterize the in vitro antioxidant properties and nutritional values of flours made from the waste from a special ecotype of cocoa (CCN-51). The chemical fingerprinting was performed using UHPLC–HESI orbitrap mass spectrometry and allowed the detection of 51 compounds. GC-FID was used for the determination of individual fatty acid contents, and the antioxidant activity was assessed by several assays (DPPH, FRAP, and ABTS). The flours obtained were composed of a good amount of dietary fiber, carbohydrates, and minerals, as well as several bioactive polyphenolic compounds, fatty acids, and amino acids with nutraceutical properties, making the flours a rich and promising food as well as a good source for the preparation of functional foods or nutraceuticals.

Assessment of cocoa powder changes during the alkalization process using untargeted metabolomics

“…The main fragment at m/z 249 observed in their MS/MS spectra allow the identification of these compounds as hexenyl primeveroside isomers, according to the literature (Cádiz-Gurrea et al, 2010. Compound 24 presenting fragments at m/z 99, 139, 171, 211, and 229 was tentatively identified as 9,12,13-trihydroxyoctadecanoid acid by the comparison of its MS/MS fragmentation with that reported by Vargas-Arana et al (Vargas-Arana et al, 2022). As in the case of compound 17, the alkalization process did not change significantly the level of 9,12,13-trihydroxyoctadecanoid acid.…”

Shades of Fine Dark Chocolate Colors: Polyphenol Metabolomics and Molecular Networking to Enlighten the Brown from the Black

“…Feature K23 ( m/z 210.0772) was characterized as the amino acid derivative methoxytyrosine, as also identified by Vargas-Arana et al in cocoa waste flours [ 40 ]. Finally, a few discriminating compounds were not identified, such as K16–K22, and K24–K26, but their HRMS/MS spectral data are described in Table S4 as a basis for future studies.…”

Advances in Natural Antioxidants for Food Improvement

“…In chocolate manufacturing, large amounts of by-products are produced from cocoa, which contains bioactive compounds, such as methylxanthines, flavonoids, procyanidins. Specifically, shell and pod husk flours were investigated and were found to contain several bioactive polyphenolic compounds [ 21 , 22 ]. The table olive industry produces a great amount of wastewater that is usually treated under alkaline conditions, followed by washing stages for stabilization.…”