(348h) Systematic Screening and Experimental Validation of Hydrophobic Deep Eutectic Solvents for Efficient Determination of Microcystins in Water Samples

Microcystin are naturally occurring toxins generated by cyanobacteria. These toxins are closely linked to algal blooms and pose a significant threat to various organisms, including humans. This study assess the utilization of hydrophobic deep eutectic solvents (HDESs) for extracting the extraction of Microcystin-LR (MCLR) and Microcystin-YR (MCYR) from water samples. HDESs are a category of environmentally friendly solvents composed of a blend of a hydrogen bond acceptor and donor, typically a quaternary ammonium salt. This composition leads to a notable decrease in the mixture's melting point and enhances solvent properties like solubility and extraction efficiency. An estimation of environmental, health, and safety (EHS) impacts using quantitative structure-activity relationship methods and Virtual models for property Evaluation of chemicals within a Global Architecture (VEGA) was performed and the Conductor-like Screening MOdel for Real Solvents (COSMO-RS) was employed to evaluate the most sustainable HDESs by computing various parameters, such as sigma surface, sigma profile, activity coefficients, and excess enthalpy. Subsequently, experimental validation of extraction was conducted using Liquid chromatography–mass spectrometry (LC–MS) and kinetics were analyzed.