Understanding hydrophobic effects: Insights from water density fluctuations

NB Rego, AJ Patel - Annual Review of Condensed Matter …, 2022 - annualreviews.org
The aversion of hydrophobic solutes for water drives diverse interactions and assemblies
across materials science, biology, and beyond. Here, we review the theoretical …

Energy-representation theory of solutions: Its formulation and application to soft, molecular aggregates

N Matubayasi - Bulletin of the Chemical Society of Japan, 2019 - academic.oup.com
The energy-representation theory of solutions is developed to address the dissolution of a
molecule in homogeneous fluid as well as the partitioning into such nanoscale structures as …

Cooperativity in sorption isotherms

S Shimizu, N Matubayasi - Langmuir, 2023 - ACS Publications
We present a general theory of cooperativity in sorption isotherms that can be applied to
sorbent/gas and sorbent/solution isotherms and is valid even when sorbates dissolve into or …

Free energy density of a fluid and its role in solvation and binding

MK Gilson, T Kurtzman - Journal of Chemical Theory and …, 2024 - ACS Publications
The concept that a fluid has a position-dependent free energy density appears in the
literature but has not been fully developed or accepted. We set this concept on an …

Cooperativity in micellar solubilization

S Shimizu, N Matubayasi - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Sudden onset of solubilization is observed widely around or below the critical micelle
concentration (CMC) of surfactants. It has also been reported that micellization is induced by …

A unified perspective on preferential solvation and adsorption based on inhomogeneous solvation theory

S Shimizu, N Matubayasi - Physica A: Statistical Mechanics and its …, 2018 - Elsevier
How cosolvents affects solvation has been revealed through the independent determination
of solute-solvent and solute-cosolvent interactions guaranteed by the phase rule. Based on …

The role of interfacial water in protein–ligand binding: insights from the indirect solvent mediated potential of mean force

D Cui, BW Zhang, N Matubayasi… - Journal of chemical …, 2018 - ACS Publications
Classical density functional theory (DFT) can be used to relate the thermodynamic
properties of solutions to the indirect solvent mediated part of the solute–solvent potential of …

Temperature Dependence of Hydrotropy

S Shimizu, N Matubayasi - The Journal of Physical Chemistry B, 2024 - ACS Publications
The solubility of hydrophobic solutes increases dramatically with the temperature when
hydrotropes are added to water. In this paper, the mechanism of this well-known observation …

Spiers Memorial Lecture: Towards understanding of iontronic systems: electroosmotic flow of monovalent and divalent electrolyte through charged cylindrical …

T Colla, IM Telles, M Arfan, AP Dos Santos… - Faraday …, 2023 - pubs.rsc.org
In many practical applications, ions are the primary charge carrier and must move through
either semipermeable membranes or through pores, which mimic ion channels in biological …

Spatially-decomposed free energy of solvation based on the endpoint density-functional method

Y Ishii, N Yamamoto, N Matubayasi… - Journal of chemical …, 2019 - ACS Publications
A spatially resolved version of the density-functional method for solvation thermodynamics is
presented by extending the free-energy functional previously established in the one …