Solubility prediction of bioantioxidants for functional solvent by group contribution method

Bioantioxidants protect a living body from the damage and ageing caused by active oxygen. Typical bioantioxidants include epicatechin, caffeic acid, ascorbic acid, etc. This study focused on selecting the optimum solvent that can dissolve each bioantioxidants by calculating the solubility of various bioantioxidants in each specific solvent. The solubility parameters of the bioantioxidants were correlated with the van Krevelen group model, and the solubility of bioantioxidant for each solvent was then calculated from the interaction relationship between each solubility parameter of the bioantioxidant and optimal solvent selected. The solubility of the bioantioxidants was affected not only by the solubility parameters of the solute and solvents, but also by the fusion enthalpy of the solute at melting temperature. Then the fusion enthalpy was measured for each bioantioxidant. The equilibrium non-ideality between the solvent and bioantioxidants examined as a function of the solubility parameter and fusion enthalpy. The optimum solvent was selected for each bioantioxidant based on the quantitative solubility data. Each bioantioxidant showed slight non-ideality, which it was presented in the activity coefficient of the solution system.