A mechanistic study of the influence of proton transfer processes on the behavior of thiol/disulfide redox couples

Article Abstract:

The effect of proton transfer processes on the behavior of thiol/disulfide redox couples has been investigated using an approach that combines experimental data and digital simulation. Specifically, the mechanism of the oxidation of 2-mercapto-5-methyl-1,3,4-thiadiazole to its disulfide dimer and its subsequent reduction was analyzed. The influence of different bases and proton donors on the oxidation-reduction reactions was also studied. Results show that proton transfer routes exert a significant influence on both the oxidative and reductive processes.

Research, Oxidation-reduction reaction, Oxidation-reduction reactions, Sulfides, Charge transfer, Thiols

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Mechanistic aspects of proton chain transfer: A computational study for the green fluorescent protein chromophore

Article Abstract:

Several models are explored for the ground-state proton chain transfer pathway between the green fluorescent protein chromophore and its surrounding protein matrix in order to elucidate the mechanistic aspects of this process. The analysis of the minimum energy pathways (MEPs) has revealed a clear evidence of sequential movement of protons in the chain and the ground-state proton chain transfer does not appear to be driven by the movement of the phenolic proton off the chromophore onto the neutral water bridge.

Fluorescent chemicals

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Single molecule photon counting statistics for quantum mechanical chromophore dynamics

Article Abstract:

The generating function technique for calculation of single molecule photon emission statistics to systems governed by multi-level quantum dynamics is extended. The present methodology allows for calculation of photon statistics that are spectrally resolved and subject to quantum coherence.

Analysis, Quantum theory, Quantum mechanics, Photonics, Properties, Structure

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