proton transfer (pt) and methyl group transfer (mgt) occurring in small biomimetic systems, formamide-formamidic acid (fa-fi), and n-formyl-n-methylformamide-(e)-methyl n-formylformimidate (nmfa-nmfi) are investigated in the gas phase and in single-walled carbon nanotubes by using the density functional theory and the oniom approach. it is shown that pt reaction is disfavoured in single-walled ...

the stacking mechanism of the 1h-4h proton transfer in 4-pyridone, 4-pyridinthione and p-aminopyridineare constructed. for quantitative description of this process by means of the quamtumchemicalmethod density functional theory (dft) the activation energy (

The stacking mechanism of the 1H-4H proton transfer in 4-pyridone, 4-pyridinthione and p-aminopyridineare constructed. For quantitative description of this process by means of the quamtumchemicalmethod density functional theory (DFT) the activation energy (

output characteristics of fuel cells are affected by a large number of parameters such as geometry, dimensions, construction materials and conditions of supplying fluids. in this paper a mathematical model followed by a two-dimensional numerical approach has been presented to study the fuel cell parametrically. effect of oxygen concentration at gas diffusion layer entrance, temperature and pres...

The bacterial reaction center (RC) converts light into chemical energy through the reduction of an internal quinone molecule Q(B) to Q(B)H(2). In the native RC, proton transfer is coupled to electron transfer and is not rate-controlling. Consequently, proton transfer is not directly observable, and its rate was unknown. In this work, we present a method for making proton transfer rate-controlli...

Proton transfer is ubiquitous in chemistry and biology, occurring, for example, in proteins, enzyme reactions and across proton channels and pumps. However, it has always been described in the context of hydrogen-bonding networks ('proton wires') acting as proton conduits. Here, we report efficient intramolecular ionization-induced proton transfer across a 1,3-dimethyluracil dimer, a model π-st...

This chapter provides an overview of recent progress in understanding proton transfer in RNA enzymes. It was over 10 years ago that the previous book by the same editors was published. In that volume, there was no chapter on proton transfer. Indeed, it was unclear whether proton transfer made important contributions to RNA catalysis. Many things have changed in the last decade. Most importantly...

We have developed for fuel cells a novel proton exchange membrane (PEM) using inorganic phosphotungstic acid (HPW) as proton carrier and mesoporous silica as matrix (HPW-meso-silica) . The proton conductivity measured by electrochemical impedance spectroscopy is 0.11 S cm(-1) at 90 °C and 100% relative humidity (RH) with a low activation energy of ∼14 kJ mol(-1). In order to determine the energ...