Literature DB >> 16851392

Drying and hydrophobic collapse of paraffin plates.

Xuhui Huang1, Ruhong Zhou, Bruce J Berne.   

Abstract

We perform molecular dynamics simulations of the hydrophobic collapse of two paraffin plates to examine how the collapse is mediated by realistic paraffin-water attractive van der Waals forces. We explore several aspects of the drying transition between the plates, including the critical separation for drying and the critical size of the vapor bubble required for the nucleation of the drying event. We also investigate the kinetics of hydrophobic collapse and find that the hydrophobic collapse occurs in about 100 ps. We compare these results with the simulations with the plate-water van der Waals attractions turned off and with recent results on the hydrophobic collapse of multidomain proteins. Last, we discuss the relationship among the dewetting transition critical distance, van der Waals potential well depth, and water contact angle on solute surface using a simple macroscopic theory.

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Year:  2005        PMID: 16851392     DOI: 10.1021/jp045520l

Source DB:  PubMed          Journal:  J Phys Chem B        ISSN: 1520-5207            Impact factor:   2.991


  11 in total

1.  Extended surfaces modulate hydrophobic interactions of neighboring solutes.

Authors:  Amish J Patel; Patrick Varilly; Sumanth N Jamadagni; Hari Acharya; Shekhar Garde; David Chandler
Journal:  Proc Natl Acad Sci U S A       Date:  2011-10-10       Impact factor: 11.205

2.  Probing solvation decay length in order to characterize hydrophobicity-induced bead-bead attractive interactions in polymer chains.

Authors:  Siddhartha Das; Suman Chakraborty
Journal:  J Mol Model       Date:  2010-11-26       Impact factor: 1.810

3.  A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics.

Authors:  Hui Sun; Jiayi Wen; Yanxiang Zhao; Bo Li; J Andrew McCammon
Journal:  J Chem Phys       Date:  2015-12-28       Impact factor: 3.488

4.  Hydrophobicity of protein surfaces: Separating geometry from chemistry.

Authors:  Nicolas Giovambattista; Carlos F Lopez; Peter J Rossky; Pablo G Debenedetti
Journal:  Proc Natl Acad Sci U S A       Date:  2008-02-11       Impact factor: 11.205

5.  Solvent coarse-graining and the string method applied to the hydrophobic collapse of a hydrated chain.

Authors:  Thomas F Miller; Eric Vanden-Eijnden; David Chandler
Journal:  Proc Natl Acad Sci U S A       Date:  2007-08-28       Impact factor: 11.205

Review 6.  Dewetting and hydrophobic interaction in physical and biological systems.

Authors:  Bruce J Berne; John D Weeks; Ruhong Zhou
Journal:  Annu Rev Phys Chem       Date:  2009       Impact factor: 12.703

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

Authors:  Rahul Godawat; Sumanth N Jamadagni; Shekhar Garde
Journal:  Proc Natl Acad Sci U S A       Date:  2009-08-25       Impact factor: 11.205

8.  Electrostatic contribution from solvent in modulating single-walled carbon nanotube association.

Authors:  Shu-Ching Ou; Sandeep Patel
Journal:  J Chem Phys       Date:  2014-09-21       Impact factor: 3.488

9.  Heterogeneous Solvation in Distinctive Protein-Protein Interfaces Revealed by Molecular Dynamics Simulations.

Authors:  Clarisse G Ricci; J Andrew McCammon
Journal:  J Phys Chem B       Date:  2018-10-09       Impact factor: 2.991

10.  How Water's Properties Are Encoded in Its Molecular Structure and Energies.

Authors:  Emiliano Brini; Christopher J Fennell; Marivi Fernandez-Serra; Barbara Hribar-Lee; Miha Lukšič; Ken A Dill
Journal:  Chem Rev       Date:  2017-09-26       Impact factor: 60.622

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