Proton and Electron Transfer Mechanisms in the Formation of Neutral and Charged Quinhydrone-Like Complexes: A Multilayered Computational Study

2014 ◽  
Vol 10 (11) ◽  
pp. 4883-4895 ◽  
Author(s):  
Vincenzo Barone ◽  
Ivo Cacelli ◽  
Alessandro Ferretti ◽  
Giacomo Prampolini ◽  
Giovanni Villani
Keyword(s):  
Electron Transfer ◽  
Computational Study ◽  
Transfer Mechanisms

scholarly journals Modeling biofilms with dual extracellular electron transfer mechanisms

2013 ◽  
Vol 15 (44) ◽  
pp. 19262 ◽  
Author(s):  
Ryan Renslow ◽  
Jerome Babauta ◽  
Andrew Kuprat ◽  
Jim Schenk ◽  
Cornelius Ivory ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Extracellular Electron Transfer ◽  
Transfer Mechanisms

THEORETICAL STUDIES ON THE COUPLING INTERACTIONS AND SELF-EXCHANGE REACTION MECHANISMS IN THE COMPLEXES OF NO WITH ONH AND NOH

2008 ◽  
Vol 07 (03) ◽  
pp. 435-446 ◽  
Author(s):  
PING LI ◽  
XIAOYAN XIE ◽  
YUXIANG BU ◽  
WEIHUA WANG ◽  
NANA WANG ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Exchange Reaction ◽  
Reaction Mechanisms ◽  
Natural Bond Orbital ◽  
Theoretical Studies ◽  
Exchange Reactions ◽  
Electron Transfer Mechanism ◽  
Proton Coupled Electron Transfer ◽  
Planar Geometries ◽  
Transfer Mechanisms

The coupling interactions and self-exchange reaction mechanisms between NO and ONH (NOH) have been systematically investigated at the B3LYP/6-311++G** level of theory. All the equilibrium complexes are characterized by the intermolecular H-bonds and co-planar geometries. The cisoid NOH/ON species is the most stable one among all the complexes considered due to the formation of an N – N bond. Moreover, all the cisoid complexes are found to be more stable than the corresponding transoid ones. The origin of the blueshifts occurring in the selected complexes has been explored, employing the natural bond orbital (NBO) calculations. Additionally, the proton transfer mechanisms for the self-exchange reactions have been proposed, i.e. they can proceed via the three-center proton-coupled electron transfer or five-center cyclic proton-coupled electron transfer mechanism.

Electron transfer mechanisms

1998 ◽  
Vol 2 (2) ◽  
pp. 235-243 ◽  
Author(s):  
DN Beratan ◽  
SS Skourtis
Keyword(s):  
Electron Transfer ◽  
Transfer Mechanisms

scholarly journals Electron Transfer Initiated Reactions Photoinduced by Pterins

Pteridines ◽  
2011 ◽  
Vol 22 (1) ◽  
pp. 111-119 ◽  
Author(s):  
Carolina Lorente ◽  
Gabriela Petroselli ◽  
M. Laura Dántola ◽  
Esther Oliveros ◽  
Andrés H. Thomas
Keyword(s):  
Electron Transfer ◽  
Excited State ◽  
Redox Reactions ◽  
Type I ◽  
Biological Processes ◽  
Type Ii ◽  
Triplet Excited State ◽  
Oxygen Production ◽  
Production Type ◽  
Transfer Mechanisms

Abstract Interest in the photochemistry and photophysics of pterins has increased since the participation of this family of compounds in different photobiological processes has been suggested or demonstrated in recent decades. Pterins participate in relevant biological processes, such as metabolic redox reactions, and can photoinduce the oxidation of biomolecules through both electron transfer mechanisms (Type I) and singlet oxygen production (Type II). This article describes recent findings on electron transfer-initiated reactions photoinduced by the triplet excited state of pterins and connects them in the context of photosensitized processes of biological relevance.

Redox protein electron-transfer mechanisms: electrostatic interactions as a determinant of reaction site in c-type cytochromes

Biochemistry ◽  
1989 ◽  
Vol 28 (15) ◽  
pp. 6318-6322 ◽  
Author(s):  
G. Cheddar ◽  
T. E. Meyer ◽  
M. A. Cusanovich ◽  
C. D. Stout ◽  
Gordon Tollin
Keyword(s):  
Electron Transfer ◽  
Electrostatic Interactions ◽  
Reaction Site ◽  
Redox Protein ◽  
Protein Electron Transfer ◽  
Transfer Mechanisms
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