Influence of the [2Fe]H subcluster environment on the properties of key intermediates in the catalytic cycle of [FeFe] hydrogenases: hints for the rational design of synthetic catalysts.
Nature's recipe: A theoretical study analyzes how the environment of the [FeFe] hydrogenase's catalytic cofactor affects its chemical properties, particularly the relative stability of complexes with bridging and terminal hydride ligands (see picture; Fe teal, S yellow, C green, N blue, O red, H gray). The results help to elucidate key rules for the design of bioinspired synthetic catalysts for H(2) production.
Bruschi
Maurizio
M
Department of Environmental Science, University of Milano-Bicocca, Piazza della Scienza 1, 20126 Milan, Italy. maurizio.bruschi@unimib.it
Greco
Claudio
C
Kaukonen
Markus
M
Fantucci
Piercarlo
P
Ryde
Ulf
U
De Gioia
Luca
L
D002384:Catalysis; D004795:Enzyme Stability; D006859:Hydrogen / Q000737:chemistry*; D006864:Hydrogenase / Q000737:chemistry*; D007501:Iron / Q000737:chemistry*; D008956:Models, Chemical; D011487:Protein Conformation
D006859:Hydrogen; D007501:Iron; D006864:Hydrogenase