An integrated strategy to obtain ready-to-use carotenoid extract from persimmon (Diospyros kaki Thunb.) using...

Persimmon carotenoids are valuable, but the preparation suffers from the abuse of organic solvents, while the emergence of hydrophobic eutectic solvents (HESs) provides a feasible means to obtain ready-to-use extracts. This study developed an integrated strategy for the preparation and preservation of persimmon carotenoid extract using food-compatible HESs without solvent removal. Profiling identified 42 carotenoids (139.2 μg/g) in persimmon powder, with over 85% existing as esterified forms. Menthol and ethyl hexanoate (molar ratio of 1:1) were selected as the optimal HES via COSMO-SAC high-throughput virtual screening and experimental validation. The dissolution behavior of carotenoids in HESs was regulated by van der Waals interaction and hydrogen-bond anchoring, as evidenced by molecular dynamics simulations. Furthermore, the artificial neural network-genetic algorithm showed alternative potential to response surface methodology in the modeling and optimization of extraction process. The established strategy provides a referenceable means for the rational design and mechanistic analysis of phytochemical extraction.