Green solvents tailored nanostructures of block copolymers and their potential applications in drug delivery

A Kumar, M Saha, R Vishwakarma, K Behera… - Journal of Molecular …, 2024 - Elsevier
In the past decades, deep eutectic solvents (DESs) and ionic liquids (ILs) have garnered
significant interest in various disciplines of the chemical, physical and biological sciences as …

Are nature's strategies the solutions to the rational design of low-melting, lipophilic ionic liquids?

J Yeboah, ZJ Metott, CM Butch… - Chemical …, 2024 - pubs.rsc.org
Ionic liquids (ILs) have emerged as a new class of materials, displaying a unique capability
to self-assemble into micelles, liposomes, liquid crystals, and microemulsions. Despite …

Quantum Chemical Insight into 1, 2-Shift Rearrangement in Bromination of Allylaryls

D Hardy, SR Isbel, A Bugarin, DV Wagle - ACS omega, 2023 - ACS Publications
In this work, we have provided mechanistic insight into the addition of bromine to an allylic
double bond of allylaryl derivatives using experimental and DFT-based electronic structure …

Computational Study on the Proton Reduction Potential of Co, Rh, and Ir Molecular Electrocatalysts for the Hydrogen Evolution Reaction

M Panneerselvam, M Jaccob, LT Costa - ACS omega, 2024 - ACS Publications
In this study, comprehensive density functional theory calculations were conducted to
investigate the molecular mechanism of electrocatalytic proton reduction using group 9 …

Planting the Seeds of a Decision Tree for Ionic Liquids: Steric and Electronic Impacts on Melting Points of Triarylphosponium Ionic Liquids

M Scheuren, L Teodoro, A Witters… - The Journal of …, 2024 - ACS Publications
While machine learning and artificial intelligence offer promising avenues in the computer-
aided design of materials, the complexity of these computational techniques remains a …

A dime a dozen: common structural attributes of 1, 2-dimethylimidazolium halide ionic liquids

M Scheuren, RC Sommers, M Boucher… - New Journal of …, 2024 - pubs.rsc.org
A homologous series of 1, 2-dimethylimidazolium-based ionic liquids with halide anions are
examined by Hirshfeld surface analysis to draw out key structural details of the cation …

Ionic Liquids with Benzenesulfonate Anions: Nonfluorinated, Thermally Stable Anion Options

M Soltani, B Siu, M Vo, KN West, C Adu… - ACS Applied …, 2023 - ACS Publications
Thermally resistant materials have been sought after for use as lubricants, heat transfer
fluids, high temperature structural materials, and other applications where thermal stability is …