Theoretical Study of Volume Changes Accompanying Xenon-Lysozyme Binding: Implications for the Molecular Mechanism of Pressure Reversal of Anesthesia

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DOIResolve DOI: http://doi.org/10.1021/jp056346jS1520-6106(05)06346-7
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TypeArticle
Journal titleThe Journal of Physical Chemistry B: Condensed Phase
ISSN15206106
Volume110
Issue24
Pages1214912154; # of pages: 6
AbstractThe change in partial molar volume (PMV) accompanying the xenon-lysozyme binding was investigated for elucidating the molecular mechanism of the pressure reversal of general anesthesia, using the three-dimensional reference interaction site model theory of molecular solvation. An increase of the PMV from xenon binding to the substrate binding site of lysozyme was found, and the binding is suppressed by pressure, while the internal site binding did not change the PMV. The PMV change was analyzed by decomposing it into several contributions from geometry and hydration. We also analyzed the hydration change due to the binding. From the results, we draw a molecular picture of the PMV change accompanying xenon-lysozyme binding, which gives a possible mechanism of pressure reversal of anesthesia.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada; National Institute for Nanotechnology
Peer reviewedYes
Identifier18077705
NPARC number12333683
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Record identifier30c92f50-87c5-4e41-8b64-dc94c1fdeab0
Record created2009-09-10
Record modified2017-03-23
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