SUGAR-BASED MIXTURES AND ONE-POT PROCESSING AS A GREENER STRATEGY FOR RECOVERING BIOACTIVE COMPOUNDS FROM GUARANA BEAN SHELLS

Sustainable valorization of biomass requires the implementation of green solvents, process integration, and reduced energy consumption. This research presents an innovative one-pot method for recovering bioactive compounds from guarana bean shells (GBS) using a simplified sugar-based solvent system. The optimized solvent system, consisting of an equimolar 1,3-propanediol:glucose mixture with citric acid (15%, w/w) and water (40%, w/w), was assessed through two extraction strategies: a conventional two-step process and a simplified in situ one-pot approach, where solvent formation occurs concurrently with biomass contact. The one-pot method enabled efficient extraction, reduced preparation time, and lower energy use, achieving a higher AGREEprep score than the traditional method (0.61 versus 0.56). Relative to water and EtOH:H2O (80:20, v/v), the optimized system improved recovery of theobromine and caffeine, while decreasing catechin and epicatechin and increasing procyanidin B2, suggesting a possible acid-catalyzed transformation. Human Kidney 2 cell line (HK-2) assays indicated no cytotoxicity within the tested concentration range (0.01–0.4%, v/v). Re-extraction experiments confirmed effective matrix exhaustion and solvent reusability. Computational analyses using Hansen Solubility Parameters (HSP) and the COnductor-like Screening MOdel for Real Solvents (COSMO-RS) supported the interpretation of extraction trends and solute–solvent interactions, while also highlighting the limitations of these tools for complex systems. Overall, the sugar-based one-pot system demonstrates significant potential as a sustainable platform for bioactive recovery from GBS, with promising applications in the food and cosmetic industries. These findings reinforce the feasibility of coupling solvent simplification, extraction intensification, and predictive modeling to design safer, scalable, and resource-efficient biomass valorization processes in practice.