Machine Learning Approach for the Prediction of Eutectic Temperatures for Metal-Free Deep Eutectic Solvents

Deep eutectic solvents (DESs) represent an environmentally friendly alternative to conventional organic solvents. Their liquid range determines the areas of application, and therefore, the prediction of solid-liquid equilibrium (SLE) diagrams is essential for developing new DESs. Such predictions are not yet possible by using the current...

Lysozyme stability in various deep eutectic solvents using molecular dynamics simulations

The ability of neat deep eutectic solvents (DESs) to influence protein structure and function has gained considerable interest due to the unstable nature of enzymes or therapeutic proteins, which are often exposed to thermal, chemical, or mechanical stresses when handled at an industrial scale. In this study, we simulated a model globular...

Study on green extraction of limonene from orange peel and cascade catalysis to produce carvol and carvone in deep eutectic solvents

Carvol and carvone are oxidation products from the natural product limonene. They are important raw materials for the flavours and fragrances industry and also act as pharmaceutical active ingredients. Orange waste peels possibly represent an attractive source for limonene, but studies on valorizing orange peel wastes are rare. In this study,...

Immobilization and Application of Fatty Acid Photodecarboxylase in Deep Eutectic Solvents

Since its discovery in 2017, the fatty acid decarboxylase (FAP) photoenzyme has been the focus of extensive research, given its ability to convert fatty acids into alka(e)nes using merely visible blue light. Unfortunately, there are still some drawbacks that limit the applicability of this biocatalyst, such as poor solubility of the...

Thermal conductivity of aqueous solutions of reline, ethaline, and glyceline deep eutectic solvents; a molecular dynamics simulation study

Accurate knowledge and control of thermal conductivities is central for the efficient design of heat storage and transfer devices working with deep eutectic solvents (DESs). The addition of water is a straightforward and cost-efficient way of tuning many properties of DESs. In this work, the thermal conductivities of aqueous solutions of...

Deep Eutectic Solvents Enable More Robust Chemoenzymatic Epoxidation Reactions

A chemoenzymatic method for the production of epoxidized vegetable oils was developed. The unique combination of the commercial lipase G from Penicillieum camembertii with certain deep eutectic solvents enabled the efficient production of epoxidized vegetable oils.