| Full text | |
| Author(s): |
Bragagnolo, Felipe Sanchez
;
Strieder, Monique Martins
;
Sanches, Vitor Lacerda
;
Mesquita, Leonardo Mendes de Souza
;
Arrua, R. Dario
;
Gonzalez-Miquel, Maria
;
Rostagno, Mauricio Ariel
Total Authors: 7
|
| Document type: | Journal article |
| Source: | Food Chemistry; v. 494, p. 11-pg., 2025-12-01. |
| Abstract | |
Cocoa (Theobroma cacao L.) beans are extensively employed in the food industry. However, their shells (CBS), a by-product representing about 20 % of bean weight, contain valuable bioactive compounds such as phenolic compounds and methylxanthines. This study developed a PLE-SPE x HPLC-PDA system to extract, concentrate, fractionate, and analyze these metabolites from CBS. The optimized in-line PLE-SPE conditions (PoraPak Rxn RP Bulk adsorbent, 45-min gradient from pure H2O to pure EtOH) produced a first fraction enriched with theobromine (75.05 +/- 9.22 %), a second fraction enriched with caffeine (80.66 +/- 1.95 %), and a third fraction enriched with phenolics (69.21 +/- 7.46 %). Additionally, the SPE adsorbent was evaluated over at least 10 reuses, with performance monitored in real-time using the updated PLE-SPE x HPLC-PDA system. Computational predictions using COSMO-RS described the metabolites x solvents x adsorbent interactions. Finally, this methodology reduces processing steps, time, and materials while producing valuable fractions for food, cosmetic, and pharmaceutical industries. (AU) | |
| FAPESP's process: | 19/13496-0 - Multi user equipment approved in grant 2018/14582-5: ultra-high pressure liquid chromatography system (UHPLC), composed by a quaternary pump, autoinjector, oven with selection valve and detector (PDA) |
| Grantee: | Maurício Ariel Rostagno |
| Support Opportunities: | Multi-user Equipment Program |
| FAPESP's process: | 23/12621-1 - Enhanced recovery of high-value compounds from agricultural by-products: green methods using predictive computational models and intensified extraction techniques |
| Grantee: | Felipe Sanchez Bragagnolo |
| Support Opportunities: | Scholarships abroad - Research Internship - Post-doctor |
| FAPESP's process: | 21/12264-9 - A techno-economic evaluation of emerging technologies and green solvents coupling to the two-dimensional system of extraction, separation and analysis to obtain phenolic compounds from waste of the coffee and plant-based beverages industry |
| Grantee: | Monique Martins Strieder |
| Support Opportunities: | Scholarships in Brazil - Post-Doctoral |
| FAPESP's process: | 22/10469-5 - Application of in silico tools for the extraction of bioactive compounds from agro by-products by gas-expanded liquids and green switchable solvents |
| Grantee: | Felipe Sanchez Bragagnolo |
| Support Opportunities: | Scholarships in Brazil - Post-Doctoral |
| FAPESP's process: | 18/14582-5 - Development of a two-dimensional extraction, separation and analysis system for evaluating the bioactivity of phytochemicals |
| Grantee: | Maurício Ariel Rostagno |
| Support Opportunities: | Research Grants - Young Investigators Grants - Phase 2 |