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Biophys J, April 2001, p. 1691-1702, Vol. 80, No. 4

The Formation and Dynamics of Proton Wires in Channel Environments

Mark L. Brewer, Udo W. Schmitt, and Gregory A. Voth

Department of Chemistry and Henry Eyring Center for Theoretical Chemistry, University of Utah, Salt Lake City, Utah 84112-0850 USA

By virtue of an accurate interaction model, the equilibrium and dynamical properties of an excess proton in aqueous systems are studied, in which the water and excess proton are confined to hydrophobic cylindrical channels. Solvation structures of the excess proton and its mobility along the channel are considered as a function of the channel radius. It is found that when the aqueous proton systems are sufficiently constricted there is a substantial increase in the diffusion of the excess proton charge accompanied by a decrease in the diffusion of water molecules along the channel. Such systems present clear evidence for the possible existence of "proton wires."

Biophys J, April 2001, p. 1691-1702, Vol. 80, No. 4
© 2001 by the Biophysical Society   0006-3495/01/04/1691/12  $2.00


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