Water-mediated hydrophobic interactions
D Ben-Amotz - Annual review of physical chemistry, 2016 - annualreviews.org
Hydrophobic interactions are driven by the combined influence of the direct attraction
between oily solutes and an additional water-mediated interaction whose magnitude (and …
between oily solutes and an additional water-mediated interaction whose magnitude (and …
Statistical analyses of hydrophobic interactions: a mini-review
This review focuses on the striking recent progress in solving for hydrophobic interactions
between small inert molecules. We discuss several new understandings. First, the inverse …
between small inert molecules. We discuss several new understandings. First, the inverse …
Scaling atomic partial charges of carbonate solvents for lithium ion solvation and diffusion
Lithium-ion solvation and diffusion properties in ethylene carbonate (EC) and propylene
carbonate (PC) were studied by molecular simulation, experiments, and electronic structure …
carbonate (PC) were studied by molecular simulation, experiments, and electronic structure …
Neutron Scattering Studies of the Hydration Structure of Li+
PE Mason, S Ansell, GW Neilson… - The Journal of Physical …, 2015 - ACS Publications
New results derived from the experimental method of neutron diffraction and isotopic
substitution (NDIS) are presented for the hydration structure of the lithium cation (Li+) in …
substitution (NDIS) are presented for the hydration structure of the lithium cation (Li+) in …
How do water-mediated interactions and osmotic second virial coefficients vary with particle size?
We examine quantitatively the solute-size dependences of the effective interactions between
nonpolar solutes in water and in a simple liquid. The potential w (r) of mean force and the …
nonpolar solutes in water and in a simple liquid. The potential w (r) of mean force and the …
Octa-Coordination and the Aqueous Ba2+ Ion
The hydration structure of Ba2+ ion is important for understanding blocking mechanisms in
potassium ion channels. Here, we combine statistical mechanical theory, ab initio molecular …
potassium ion channels. Here, we combine statistical mechanical theory, ab initio molecular …
Hydrophilic interactions dominate the inverse temperature dependence of polypeptide hydration free energies attributed to hydrophobicity
We address the association of the hydrophobic driving forces in protein folding with the
inverse temperature dependence of protein hydration, wherein stabilizing hydration effects …
inverse temperature dependence of protein hydration, wherein stabilizing hydration effects …
Quasi-chemical theory for anion hydration and specific ion effects: Cl-(aq) vs. F-(aq)
Anion hydration is complicated by H-bond between neighboring water molecules in addition
to H-bond donation to the anion. This situation leads to competing structures and …
to H-bond donation to the anion. This situation leads to competing structures and …
Temperature and pressure dependence of methane correlations and osmotic second virial coefficients in water
HS Ashbaugh, K Weiss, SM Williams… - The Journal of …, 2015 - ACS Publications
We report methane's osmotic virial coefficient over the temperatures 275 to 370 K and
pressures from 1 bar up to 5000 bar evaluated using molecular simulations of a united-atom …
pressures from 1 bar up to 5000 bar evaluated using molecular simulations of a united-atom …
Temperature, pressure, and concentration derivatives of nonpolar gas hydration: impact on the heat capacity, temperature of maximum density, and speed of sound of …
HS Ashbaugh, H Bukannan - The Journal of Physical Chemistry B, 2020 - ACS Publications
The hydrophobic effect is an umbrella term encompassing a number of solvation
phenomena associated with solutions of nonpolar species in water, including the following …
phenomena associated with solutions of nonpolar species in water, including the following …