Water reorientation in the hydration shells of hydrophilic and hydrophobic solutes

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TitreWater reorientation in the hydration shells of hydrophilic and hydrophobic solutes
Type de publicationJournal Article
Nouvelles publications2010
AuteursLaage D, Stirnemann G, Hynes JT
JournalScience China-Physics Mechanics & Astronomy
Volume53
Fascicule6
Pagination1068-1072
Année de publicationJun
Numéro1674-7348
Accession NumberISI:000278695200015
Résumé

We discuss some key aspects of our recent theoretical work on water reorientation dynamics, which is important in a wide range of phenomena, including aqueous phase chemical reactions, protein folding, and drug binding to proteins and DNA. It is shown that, contrary to the standard conception that these dynamics are diffusional, the reorientation of a water molecule occurs by sudden, large amplitude angular jumps. The mechanism involves the exchange of one hydrogen bond for another by the reorienting water, and the process can be fruitfully viewed as a chemical reaction. The results for reorientation times, which can be well described analytically, are discussed in the context of the molecular level interpretation of recent ultrafast infrared spectroscopic results, focusing on the concepts of structure making/breaking and solvent 'icebergs'.

URL<Go to ISI>://000278695200015
DOI10.1007/s11433-010-3215-y
Importer un fichierWater reorientation in the hydration shells of hydrophilic and hydrophobic solutes
Unité de rattachement: 
UMR 8640