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Water and water-mediated interactions determine thermodynamic and kinetics of protein folding, protein aggregation and self-assembly in confined spaces. To obtain insights into the role of water in the context of folding problems, we…

Soft Condensed Matter · Physics 2015-05-28 S. Vaitheeswaran , Jie Chen , D. Thirumalai

In this paper, we first develop a mathematical model for long-range, hydrophobic attraction between amphiphilic particles. The non-pairwise interactions follow from the first variation of a hydrophobic attraction domain functional. The…

Numerical Analysis · Mathematics 2019-07-19 Szu-Pei P. Fu , Rolf J. Ryham , Andreas Klöckner , Matt Wala , Shidong Jiang , Yuan-Nan Young

A minimalist simulation model for lipid bilayers is presented. Each lipid is represented by a flexible chain of beads in implicit solvent. The hydrophobic effect is mimicked through an intermolecular pair potential localized at the…

Statistical Mechanics · Physics 2009-11-11 Grace Brannigan , Peter F. Philips , Frank L. H. Brown

Fundamental properties of the multicomponent diffuse-interface model (DIM), such as the maximum entropy principle and conservation laws, are used to explore the basic interfacial dynamics and phase transitions in fluids. Flat interfaces…

Fluid Dynamics · Physics 2023-05-02 E. S. Benilov

We show that hydrophilic ions present in a confined, near-critical aqueous mixture can lead to an attraction between like charge surfaces with opposing preferential adsorption of the two species of the mixture, even though the corresponding…

Soft Condensed Matter · Physics 2016-03-27 Faezeh Pousaneh , Alina Ciach , Anna Maciołek

We briefly review the effects of selective solvation of ions in aqueous mixtures, where the ion densities and the composition fluctuations are strongly coupled. We then examine the surface tension \gamma of a liquid-liquid interface in the…

Soft Condensed Matter · Physics 2015-06-04 Akira Onuki , Takeaki Araki

Recent measurements of microsphere interactions in diverse media suggest that the standard dielectric-continuum models of solution-phase interactions are fundamentally incomplete. Experiments indicate that the interactions of charged…

Soft Condensed Matter · Physics 2026-05-12 Ali Behjatian , Madhavi Krishnan

Fluid interfaces, such as soap films, liquid droplets or lipid membranes, are known to give rise to several special geometries, whose complexity and beauty continue to fascinate us, as observers of the natural world, and challenge us as…

Soft Condensed Matter · Physics 2012-09-26 Luca Giomi

Using fluorescence microscopy we study the adsorption of single latex microparticles at a water/water interface between demixing aqueous solutions of polymers, generally known as a water-in-water emulsion. Similar microparticles at the…

Soft Condensed Matter · Physics 2018-05-23 Louis Keal , Carlos E. Colosqui , Hans Tromp , Cecile Monteux

We present a probabilistic approach to water-water hydrogen bonding that allows one to obtain an analytic expression for the number of bonds per water molecule as a function of both its distance to a hydrophobic particle and hydrophobe…

Soft Condensed Matter · Physics 2013-03-20 Yuri S. Djikaev , Eli Ruckenstein

Recent progress on molecular theories of hydration of nonpolar solutes in aqueous solution has led to new ways of thinking about the old issue of free, or "available," volume in liquids. This article surveys the principal new results with…

Chemical Physics · Physics 2007-05-23 Lawrence R. Pratt , Shekhar Garde , Gerhard Hummer

Mesoscale water-hydrophobic interfaces are of fundamental importance in multiple disciplines, but their molecular properties have remained elusive for decades due to experimental complications and alternate theoretical explanations.…

Chemical Physics · Physics 2024-05-06 Lixue Shi , R. Allen LaCour , Xiaoqi Lang , Joseph P. Heindel , Teresa Head-Gordon , Wei Min

The behavior of fluid interfaces far from equilibrium plays central roles in nature and in industry. Active swimmers trapped at interfaces can alter transport at fluid boundaries with far reaching implications. Swimmers can become trapped…

Soft Condensed Matter · Physics 2024-02-08 Jiayi Deng , Mehdi Molaei , Nicholas G. Chisholm , Kathleen J. Stebe

The characterization of the wetting on superhydrophobic surfaces is rather complex. Usual contact angle experiments are difficult to perform and the lateral movement of droplets as well as the pinning at point defects on the surface can…

We investigate the conformation, position, and dynamics of core-shell nanoparticles (CSNPs) composed of a silica core encapsulated in a cross-linked poly-N-isopropylacrylamide shell at a water-oil interface for a systematic range of core…

Soft Condensed Matter · Physics 2018-09-07 Siddarth A. Vasudevan , Astrid Rauh , Martin Kröger , Matthias Karg , Lucio Isa

Soft particles such as microgels and core-shell particles can undergo significant and anisotropic deformations when adsorbed to a liquid interface. This, in turn, leads to a complex phase behavior upon compression. Here we develop a…

Particles embedded in a fluctuating interface experience forces and torques mediated by the deformations and by the thermal fluctuations of the medium. Considering a system of two cylinders bound to a fluid membrane we show that the…

Soft Condensed Matter · Physics 2011-05-31 Pierre Gosselin , Hervé Mohrbach , Martin Michael Müller

Motivated by single molecule experiments on biopolymers we explore equilibrium morphologies and force-extension behavior of copolymers with hydrophobic segments using Langevin dynamics simulations. We find that the interplay between…

Soft Condensed Matter · Physics 2013-10-15 Ankur Mishra , Ajay S. Panwar , Buddhapriya Chakrabarti

Most properties of liquid water are determined by its hydrogen-bond network. Because forming an aqueous interface requires termination of this network, one might expect the molecular level properties of interfacial water to markedly differ…

Chemical Physics · Physics 2017-11-28 Yujin Tong , Tobias Kampfrath , R. Kramer Campen

Integral equation theory is applied to a coarse-grained model of water to study potential of mean force between hydrophobic solutes. Theory is shown to be in good agreement with the available simulation data for methane-methane and…

Soft Condensed Matter · Physics 2015-05-28 S. A. Egorov