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 …

Hydrophobicity of proteins and interfaces: Insights from density fluctuations

SN Jamadagni, R Godawat… - Annual review of chemical …, 2011 - annualreviews.org
Macroscopic characterizations of hydrophobicity (eg, contact angle measurements) do not
extend to the surfaces of proteins and nanoparticles. Molecular measures of hydrophobicity …

Characterizing hydrophobicity of interfaces by using cavity formation, solute binding, and water correlations

R Godawat, SN Jamadagni… - Proceedings of the …, 2009 - National Acad Sciences
Hydrophobicity is often characterized macroscopically by the droplet contact angle.
Molecular signatures of hydrophobicity have, however, remained elusive. Successful …

The key role of solvent in condensation: Mapping water in liquid-liquid phase-separated FUS

J Ahlers, EM Adams, V Bader, S Pezzotti… - Biophysical journal, 2021 - cell.com
Formation of biomolecular condensates through liquid-liquid phase separation (LLPS) has
emerged as a pervasive principle in cell biology, allowing compartmentalization and …

Fluctuations of water near extended hydrophobic and hydrophilic surfaces

AJ Patel, P Varilly, D Chandler - The journal of physical chemistry …, 2010 - ACS Publications
We use molecular dynamics simulations of the SPC-E model of liquid water to derive
probability distributions for water density fluctuations in probe volumes of different shapes …

Sitting at the edge: How biomolecules use hydrophobicity to tune their interactions and function

AJ Patel, P Varilly, SN Jamadagni… - The Journal of …, 2012 - ACS Publications
Water near extended hydrophobic surfaces is like that at a liquid–vapor interface, where
fluctuations in water density are substantially enhanced compared to those in bulk water …

Mapping hydrophobicity at the nanoscale: Applications to heterogeneous surfaces and proteins

H Acharya, S Vembanur, SN Jamadagni… - Faraday …, 2010 - pubs.rsc.org
Approaches to quantify wetting at the macroscale do not translate to the nanoscale,
highlighting the need for new methods for characterizing hydrophobicity at the small scale …

Molecular explanation for why talc surfaces can be both hydrophilic and hydrophobic

B Rotenberg, AJ Patel, D Chandler - Journal of the American …, 2011 - ACS Publications
While individual water molecules adsorb strongly on a talc surface (hydrophilic behavior), a
droplet of water beads up on the same surface (hydrophobic behavior). To rationalize this …

Lessons from pressure denaturation of proteins

J Roche, CA Royer - Journal of the Royal Society …, 2018 - royalsocietypublishing.org
Although it is now relatively well understood how sequence defines and impacts global
protein stability in specific structural contexts, the question of how sequence modulates the …

The hydrophobic effect and the role of cosolvents

NFA van der Vegt, D Nayar - The Journal of Physical Chemistry B, 2017 - ACS Publications
Cosolvents modulate aqueous solubility, hydrophobic interactions, and the stability and
function of most proteins in the living cell. Our molecular-level understanding of cosolvent …