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rdf:type |
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lifeskim:mentions |
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pubmed:issue |
28
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pubmed:dateCreated |
2008-7-17
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pubmed:abstractText |
Pairwise additivity of the hydrophobic effect is indicated by reliable experimental Henry's constants for a large number of linear and branched low-molecular-weight alkanes in water. Pairwise additivity suggests that the hydrophobic effect is primarily a local phenomenon and that the hydrophobic interaction may be represented by a semiempirical force field. By representing the hydrophobic potential between two methane molecules as a linear function of the overlap volume of the hydration layers, we find that the contact value of the hydrophobic potential (-0.72 kcal/mol) is smaller than that from quantum mechanics simulations (-2.8 kcal/mol) but is close to that from classical molecular dynamics (-0.5 approximately -0.9 kcal/mol).
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pubmed:commentsCorrections |
http://linkedlifedata.com/resource/pubmed/commentcorrection/18599448-10892816,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18599448-11201735,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18599448-11607575,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18599448-12069622,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18599448-16193038,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18599448-17023540,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18599448-17215352,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18599448-17299045,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18599448-18095715,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18599448-653353,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18599448-9833681
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pubmed:language |
eng
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pubmed:journal |
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pubmed:citationSubset |
IM
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pubmed:chemical |
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pubmed:status |
MEDLINE
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pubmed:month |
Jul
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pubmed:issn |
1091-6490
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pubmed:author |
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pubmed:issnType |
Electronic
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pubmed:day |
15
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pubmed:volume |
105
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
9512-5
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pubmed:dateRevised |
2010-11-18
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pubmed:meshHeading |
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pubmed:year |
2008
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pubmed:articleTitle |
Pairwise-additive hydrophobic effect for alkanes in water.
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pubmed:affiliation |
Department of Chemical and Environmental Engineering, University of California, Riverside, CA 92521, USA.
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pubmed:publicationType |
Journal Article,
Research Support, U.S. Gov't, Non-P.H.S.
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