Journal
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
Volume 1655, Issue 1-3, Pages 29-36Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.bbabio.2003.07.009
Keywords
proton-coupled electron transfer; hydrogen; kinetic isotope effect
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Funding
- NIGMS NIH HHS [GM56207] Funding Source: Medline
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A theoretical formulation for proton-coupled electron transfer (PCET) is described. This theory allows the calculation of rates and kinetic isotope effects and provides insight into the Underlying fundamental principles of PCET reactions. Applications of this theory to PCET reactions in iron bi-imidazoline complexes, oxoruthenium polypyridyl complexes, osmium-benzoquinone systems, amidinium-carboxylate salt bridges, DNA-acrylamide complexes, and rutheium polypyridyl-tyrosine systems are summarized. The mechanistic insight gained front theoretical calculations on these model systems is relevant to PCET in more complex biological processes such as photosynthesis and respiration. (C) 2004 Elsevier B.V. All rights reserved.
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