Proton Transfer in Hydrogen-Bonded Systems

1. Front Matter

   Pages i-xiv

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2. Proton Transfer and the Hydrogen Bond

   1. Transfers of Protons as a Third Fundamental Property of H-Bonds -Importance of Cooperative Resonance Type in Cyclic Structures

      • Yves Maréchal

      Pages 1-15

   2. Proton Transport in Condensed Matter

      • John F. Nagle

      Pages 17-28

   3. Extraction of the Principles of Proton Transfers by AB Initio Methods

      • Steve Scheiner

      Pages 29-47

   4. Construction of the Model Strong Hydrogen Bond Potential Energy Surface and Proton Transfer Dynamics

      • N. D. Sokolov, M. V. Vener

      Pages 49-63

3. Proton Transfer and Soliton Dynamics

   1. Thermal Generation and Mobility of Charge Carriers in Collective Proton Transport in Hydrogen-Bonded Chains

      • M. Peyrard, R. Boesch, I. Kourakis

      Pages 65-78

   2. Soliton Modelling for the Proton Transfer in Hydrogen-Bonded Systems

      • St. Pnevmatikos, A. V. Savin, A. V. Zolotaryuk

      Pages 79-93

   3. Soliton Propagation Through Inhomogeneous Hydrogen-Bonded Chains

      • Yuri S. Kivshar

      Pages 95-103

   4. The Concept of Soliton-Carrier Collective Variable for Proton Transfer in Extended Hydrogen-Bonded Systems: Overview

      • Eugene S. Kryachko, Vladimir P. Sokhan

      Pages 105-119

   5. Dynamics of Nonlinear Coherent Structures in a Hydrogen-Bonded Chain Model: The Role of the Dipole-Dipole Interactions

      • I. Chochliouros, J. Pouget

      Pages 121-130

   6. Thermally Excited Lattice Solitons

      • N. Theodorakopoulos, N. C. Bacalis

      Pages 131-137

   7. Destruction of Solitons in Frenkel — Kontorova Models with Anharmonic Interactions

      • Andrey Milchev

      Pages 139-152

4. Proton Transfer in Biochemistry and Biology

   1. Proton Polarizability of Hydrogen Bonded Systems Due to Collective Proton Motion — with a Remark to the Proton Pathways in Bacteriorhodopsin

      • Georg Zundel, Bogumił Brzezinski

      Pages 153-166

   2. Percolation and Dissipative Quantum Tunneling of Protons in Hydrated Protein Powders

      • G. Careri

      Pages 167-170

   3. Light-Triggered Opening and Closing of an Hydrophobic Gate Controls Vectorial Proton Transfer Across Bacteriorhodopsin

      • Norbert A. Dencher, Georg Büldt, Joachim Heberle, Hans-Dieter Höltje, Monika Höltje

      Pages 171-185

   4. Proton Transfer in the Light-Harvesting Protein Bacteriorhodopsin: An Investigation with Optical pH-Indicators

      • Joachim Heberle, Norbert A. Dencher

      Pages 187-197

   5. Diffusion of Proton in the Microscopic Space of the PhoE Channel

      • Tsfadia Yossi, Gutman Menachem

      Pages 199-206

   6. Glass Transitions in Biological Systems

      • Polycarpos Pissis

      Pages 207-216

   7. Interaction Between Acetic Acid and Methylamine in Water Molecular Dynamics and AB-Initio MO Studies

      • Janez Mavri, Dušan Hadži

      Pages 217-227

   8. Crystal of Adenine and Dissociated and Nondissociated Chloroacetic Acid — A Promising Model System for the Study of Proton Transfer Phenomena

      • Jan Florián, Vladimír Baumruk, Jana Zachová, Jaroslav Maixner

      Pages 229-232

Charge transport through the transfer of protons between molecules has long been recognized as a fundamental process, which plays an important role in many chemical reactions. In particular, proton transfer through Hydrogen (H-) bonds has been identified as the main mechanism, via which many bio­ logical functions are performed and many properties of such basic substances as proteins and ice can be understood. In this volume, several of these important aspects of the H-bond are rep­ resented. As the division in different sections already indicates, present day research in proton teansfer in biochemistry, biology, and the physics of water and ice remains highly active and very exciting. Nearly a decade ago, a novel approach to the study of collective proton motion in H-bonded systems was proposed, in which this phenomenon was explained by the propagation of certain coherent structures called solitons. In the years that followed, the approach ofsoliton dynamics was further extended and developed by many researchers around the world, into a legitimate and useful method for the analysis of proton transfer in H-bonded systems. Dr. Stephanos Pnevmatikos, the original Director of this ARW, was one of the pioneers in the application ofsoliton ideas to the study ofcharge transport through H-bonds. Having used similar concepts himself in his research on 2D lattices) he was convinced energy transfer through molecular chains (and that solitons can play an important role in enhancing our understanding of protonic conductivity.

• biochemistry
• biology
• molecule
• particles
• protein
• proteins

• University of Patras, Patras, Greece

  T. Bountis

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