Static protein structures can capture the association of lipids, but it is unclear whether the association is due to lipids acting as long-lived ligands or the solvation of preferred lipids around the protein. A computational-experimental framework has now shown that for the protein CLC-ec1, it is the change in lipid solvation energies that drives dimerization, with preferred lipids around the protein modulating this driving force.

This study examines the influence of cation hydrophobicity on protein solvation in aqueous solutions of Ionic Liquids. Ubiquitin solvation structures and thermodynamics in systems with 1-ethyl-3-methy...

J. Harry Moore, Daniel  J. Cole, and Gábor Csányi (2025) Highlighted by Jan Jensen Local CCSD(T) has made it possible to reach near chemic...

An in-built fluoropolyether-based quasi-solid-state polymer electrolyte enables high-capacity lithium-rich manganese-based layered oxide cathodes with stable interfaces, achieving 604 Wh kg−1 pouch-cell energy density.

Given that it was International Women's Day yesterday, I'll open the the post (and blogging for 2025) with a photo of a gravestone at St Jam...

Li-ion battery electrolytes play a crucial role in enabling electrochemical energy storage and conversion, where the solvation of Li+ ions strongly influences the battery performance and stability. Understanding how salt concentration and counteranion chemistry affect both the enthalpic and entropic contributions to Li+ solvation could enable new design principles for next-generation electrolytes. In this work, we seek to rationalize the composition dependence of ionic Seebeck coefficients in dimethyl sulfoxide (DMSO) and 1,2-dimethoxyethane (DME) electrolytes based on independent measurements of the entropy of mixing, bulk configurational entropy (derived from heating the solidified electrolyte to the measurement temperature), ion pairing, and temperature dependence of Li+ solvation enthalpy. In DMSO electrolytes with negligible ion pairing, the measured ionic Seebeck coefficients were governed solely by entropy through the combined influence of the entropy of mixing and the configurational entropy of Li+. On the other hand, in DME electrolytes where ion pairing was significant, enthalpic contributions due to ion pairing, as well as the temperature dependence of solvation enthalpy, dominated. These findings provide new molecular-level insights into how electrolyte composition and structure drive Li+ solvation thermodynamics, informing future strategies for designing advanced electrolytes with improved performance.

YouTube video by Prof Nicolas