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Phenomenological and molecular models of biological proton transfers
Authors:Patrick?Bertrand  author-information"  >  author-information__contact u-icon-before"  >  mailto:bertrand@ibsm.cnrs-mrs.fr"   title="  bertrand@ibsm.cnrs-mrs.fr"   itemprop="  email"   data-track="  click"   data-track-action="  Email author"   data-track-label="  "  >Email author
Affiliation:(1) Laboratoire de Bioénergétique et Ingénierie des Protéines, Centre National de la Recherche Scientifique, IBSM, 31 Chemin Joseph Aiguier, 13402 Marseille cedex 20, France;(2) Université de Provence, 3 place Victor Hugo, 13331 Marseille cedex 3, France
Abstract:In this paper, the main models describing the transfer of a proton in a molecular system are presented. Models valid when the intersite coupling is weak (non-adiabatic and electronically adiabatic regimes) and strong (adiabatic regime) are described. We distinguish molecular models in which the rate constant is obtained by considering explicitly various degrees of freedom of the system and simpler, phenomenological models built to account for the kinetic isotope effect. The relations between the various models are discussed. Their application to specific systems is illustrated by several studies reported in the literature, with a special emphasis on biological systems.
Keywords:Kinetic isotope effect  Proton transfer  Proton tunneling
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