Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
4
pubmed:dateCreated
2008-2-5
pubmed:abstractText
The partial molar volume changes in the transfer of several hydrophobic molecules, which are composed of aromatic rings and an aliphatic chain of different lengths, from carbon tetrachloride to water (DeltaV(hyd)) are calculated using the three-dimensional interaction site model theory of molecular solvation. The theory reproduces recent experimental observations: the addition of a methyl group decreases DeltaV(hyd); in contrast, the addition of an aromatic ring increases DeltaV(hyd). The discrepancy is found to originate from the difference between chain and ring structures rather than that between aliphaticity and aromaticity. Furthermore, a general rule of the variation in DeltaV(hyd) due to the addition of a hydrocarbon is found through the theoretical analysis. An outward addition at the trans position, which is to form chain structure, decreases DeltaV(hyd), while an inward addition at the cis position, which is to form ring structure, increases DeltaV(hyd). This is explained in terms of solvent packing rather than the so-called hydrophobic hydration. The present findings argue against the traditional idea that the hydrophobic hydration can be represented by the observed values of DeltaV(hyd).
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jan
pubmed:issn
0021-9606
pubmed:author
pubmed:issnType
Print
pubmed:day
28
pubmed:volume
128
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
044502
pubmed:dateRevised
2010-11-18
pubmed:meshHeading
pubmed:year
2008
pubmed:articleTitle
Uncovering the physical origin of the difference between aliphatic chain and aromatic ring in the "hydrophobic" effects on partial molar volume.
pubmed:affiliation
Department of Bioscience and Bioinformatics, Ritsumeikan University, Kusatsu, Shiga 525-8577, Japan. t-imai@is.ritsumei.ac.jp
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't