COSMO-RS Solubility Screening and Coumarin Extraction from <i>Pterocaulon polystachyum</i> with Deep Eutectic Solvents.

ABSTRACT: Deep eutectic solvents (DESs) have been studied to obtain extracts from medicinal plants, aiming for a more environmentally friendly process. Aligned with this initiative, the use of predictive thermodynamic models for screening the best solvent represents a theoretical action to reduce experimental time and cost. Therefore, this study aimed to perform and validate a relative solubility screening of 5-methoxy-6,7-methylenedioxycoumarin and prenyletin-methyl-ether at 313 K in choline chloride, menthol, and betaine-based DES, using the COSMO-RS model in COSMOThermX software. The density of DES was also predicted with a maximum error of 7.31% for this property. Ultrasound-assisted extraction (UAE) with DES at 313 K, 30 min, and a solid/liquid ratio of 1:20 (w/w) was performed to

SUBMITTER: Rodrigues VH 

PROVIDER: S-EPMC12429901 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature