Electrostatic effect on electron transfer at the active site of heme peroxidases: a comparative molecular orbital study on cytochrome C peroxidase and ascorbate peroxidase
Article Abstract:
Research was conducted to examine the hypothesis based on semiempirical molecular orbital calculations that the close surrounding and the protein bulk electrostatically stabilize different protonation states of the three H-bonded amino acids of the proximal side in cytochrome C peroxidase (CcP) and ascorbate peroxidase (Apx). An investigation of the hypothesis was performed based on discretized Poisson-Boltzmann measurements and ab initio minimal basis set molecular orbital. Results show that the active state behavior of CcP and Apx is explained by their different protonation motifs.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
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OH radical induced one-electron oxidation of serotonin and tryptamine
Article Abstract:
An investigation of the one-electron oxidation of serotonin, tryptamine, 5-methoxytryptamine, N-methyltryptamine and N(1)-methyltryptophan assists in the elucidation of the reaction mechanisms of hydroxyl radicals with tryptamine and serotonin under a range of pH conditions.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
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