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Water effects on electron transfer in azurin dimers (Articolo in rivista)
- Type
- Label
- Water effects on electron transfer in azurin dimers (Articolo in rivista) (literal)
- Anno
- 2006-01-01T00:00:00+01:00 (literal)
- Alternative label
Migliore, A; Corni, S; Di Felice, R; Molinari, E (2006)
Water effects on electron transfer in azurin dimers
in The journal of physical chemistry. B
(literal)
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- Migliore, A; Corni, S; Di Felice, R; Molinari, E (literal)
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- ISI Web of Science (WOS) (literal)
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- CNR, INFM, Natl Ctr NanoStruct & BioSyst Surfaces S3, Modena, Italy; Univ Modena, Dipartimento Fis, I-41100 Modena, Italy (literal)
- Titolo
- Water effects on electron transfer in azurin dimers (literal)
- Abstract
- Recent experimental and theoretical analyses indicate that water molecules between or near redox partners can significantly affect their electron-transfer (ET) properties. Here, we study the effects of intervening water molecules on the electron self-exchange reaction of azurin (Az) by using a newly developed ab-initio method to calculate transfer integrals between molecular sites. We show that the insertion of water molecules in the gap between the copper active sites of Az dimers slows down the exponential decay of the ET rates with the copper-to-copper distance. Depending on the distance between the redox sites, water can enhance or suppress the electron-transfer kinetics. We show that this behavior can be ascribed to the simultaneous action of two competing effects: the electrostatic interaction of water with the protein subsystem and its ability to mediate ET coupling pathways. (literal)
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