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Title: Statistical Analyses of Hydrophobic Interactions: A Mini-Review

Abstract

Here 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 temperature phenomenology of hydrophobic interactions, i.e., strengthening of hydrophobic bonds with increasing temperature, is decisively exhibited by hydrophobic interactions between atomic-scale hard sphere solutes in water. Second, inclusion of attractive interactions associated with atomic-size hydrophobic reference cases leads to substantial, nontrivial corrections to reference results for purely repulsive solutes. Hydrophobic bonds are weakened by adding solute dispersion forces to treatment of reference cases. The classic statistical mechanical theory for those corrections is not accurate in this application, but molecular quasi-chemical theory shows promise. Lastly, because of the masking roles of excluded volume and attractive interactions, comparisons that do not discriminate the different possibilities face an interpretive danger.

Authors:
 [1];  [2];  [2]
  1. Department of Chemical and Biomolecular Engineering, Tulane University, New Orleans, Louisiana 70118, United States
  2. Center for Biological and Engineering Sciences, Sandia National Laboratories, Albuquerque, New Mexico 87185, United States
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1259573
Alternate Identifier(s):
OSTI ID: 1263514
Report Number(s):
SAND-2016-6544J
Journal ID: ISSN 1520-6106
Grant/Contract Number:  
AC04-94AL85000; AC52-06NA25396
Resource Type:
Published Article
Journal Name:
Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry
Additional Journal Information:
Journal Name: Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry Journal Volume: 120 Journal Issue: 27; Journal ID: ISSN 1520-6106
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Pratt, Lawrence R., Chaudhari, Mangesh I., and Rempe, Susan B.. Statistical Analyses of Hydrophobic Interactions: A Mini-Review. United States: N. p., 2016. Web. https://doi.org/10.1021/acs.jpcb.6b04082.
Pratt, Lawrence R., Chaudhari, Mangesh I., & Rempe, Susan B.. Statistical Analyses of Hydrophobic Interactions: A Mini-Review. United States. https://doi.org/10.1021/acs.jpcb.6b04082
Pratt, Lawrence R., Chaudhari, Mangesh I., and Rempe, Susan B.. Tue . "Statistical Analyses of Hydrophobic Interactions: A Mini-Review". United States. https://doi.org/10.1021/acs.jpcb.6b04082.
@article{osti_1259573,
title = {Statistical Analyses of Hydrophobic Interactions: A Mini-Review},
author = {Pratt, Lawrence R. and Chaudhari, Mangesh I. and Rempe, Susan B.},
abstractNote = {Here 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 temperature phenomenology of hydrophobic interactions, i.e., strengthening of hydrophobic bonds with increasing temperature, is decisively exhibited by hydrophobic interactions between atomic-scale hard sphere solutes in water. Second, inclusion of attractive interactions associated with atomic-size hydrophobic reference cases leads to substantial, nontrivial corrections to reference results for purely repulsive solutes. Hydrophobic bonds are weakened by adding solute dispersion forces to treatment of reference cases. The classic statistical mechanical theory for those corrections is not accurate in this application, but molecular quasi-chemical theory shows promise. Lastly, because of the masking roles of excluded volume and attractive interactions, comparisons that do not discriminate the different possibilities face an interpretive danger.},
doi = {10.1021/acs.jpcb.6b04082},
journal = {Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry},
number = 27,
volume = 120,
place = {United States},
year = {2016},
month = {6}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1021/acs.jpcb.6b04082

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Cited by: 4 works
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