Linked Life Data

10343383

Source:http://linkedlifedata.com/resource/pubmed/id/10343383

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
1-2
pubmed:dateCreated
1999-6-22
pubmed:abstractText
In order to better characterize changes in water structure induced by a hydrophobic solute the oxygen-oxygen and hydrogen-hydrogen radial distribution functions (goo(r), ghh(r)) and the hydrogen bond angle distribution function p(theta) for water molecules in the first hydration shell of the tetramethyl ammonium (TMA) cation were computed using Monte Carlo simulations. goo(r) and ghh(r) were corrected for the effect of solute volume exclusion on the local solvent density so that intrinsic structural changes independent of local solvent density variations could be detected. Comparison of ghh(r) of TMA's first hydration shell water with ghh(r) for bulk water shows subtle but clear evidence of structure formation induced by the ion. These changes in ghh(r) are very similar to those seen experimentally for larger tetra-alkyl ammonium ions in previous neutron diffraction experiments. Larger changes in p(theta) in the first hydration shell of TMA were seen. Comparison of changes in p(theta) with changes in goo(r) and ghh(r) show that the angle distribution function provides the most sensitive way to analyze water structure changes associated with hydrophobic solvation.
pubmed:grant
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Apr
pubmed:issn
0301-4622
pubmed:author
pubmed:issnType
Print
pubmed:day
5
pubmed:volume
78
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
33-41
pubmed:dateRevised
2007-11-14
pubmed:meshHeading
pubmed:year
1999
pubmed:articleTitle
Changes in water structure induced by a hydrophobic solute probed by simulation of the water hydrogen bond angle and radial distribution functions.
pubmed:affiliation
Johnson Research Foundation, Department of Biochemistry and Biophysics, University of Pennsylvania, Philadelphia 19104-6059, USA.
pubmed:publicationType
Journal Article, Research Support, U.S. Gov't, P.H.S.