Proton transfer through the water gossamer

Proton Transfer Reactions and Kinetics in Water

Introduction and Survey A. Molecular Nature of Pure Water B. Dissociation and Electrical Conduction Measurements c. Isotope Effects D. Chemical Reactions Involving Proton Transfer Potential Energy Surfaces A. Bond Breakage B. Hydrated Proton C. Hydrated Hydroxide General Theory of Association-Dissociation Reactions A. Definition of Chemical Species B. Molecular Distribution Functions c. Linear ...

Water-assisted proton transfer in ferredoxin I.

The role of water molecules in assisting proton transfer (PT) is investigated for the proton-pumping protein ferredoxin I (FdI) from Azotobacter vinelandii. It was shown previously that individual water molecules can stabilize between Asp(15) and the buried [3Fe-4S](0) cluster and thus can potentially act as a proton relay in transferring H(+) from the protein to the μ(2) sulfur atom. Here, we ...

CuO/ Water Nanofluid Heat Transfer Through Triangular Ducts

Proton Transfer in Mixed Water-Organic Solvent Solutions: Correlation between Rate, Equilibrium Constant, and the Proton Free Energy of Transfer

We demonstrate that the proton dissociation reaction of excited 1-aminopyrene follows a simple structure-reactivity correlation in water-methanol, water-DMSO, water-dioxane, and wateracetonitrile binary mixtures. The role of the proton free energy of transfer from pure water to the binary mixtures, AGtwqS(H+) in determining the rate of transfer is also demonstrated. We have extended our analysi...

Network analysis of proton transfer in liquid water.

Proton transfer in macromolecular systems is a fascinating yet elusive process. In the last ten years, molecular simulations have shown to be a useful tool to unveil the atomistic mechanism. Notwithstanding, the large number of degrees of freedom involved make the accurate description of the process very hard even for the case of proton diffusion in bulk water. Here, multi-state empirical valen...