Second and outer coordination sphere effects in nitrogenase, hydrogenase, formate dehydrogenase, and CO dehydrogenase
Gases like H2, N2, CO2, and CO are increasingly recognized as critical feedstock in “green”
energy conversion and as sources of nitrogen and carbon for the agricultural and chemical …
energy conversion and as sources of nitrogen and carbon for the agricultural and chemical …
[HTML][HTML] The ONIOM method and its applications
The fields of theoretical and computational chemistry have come a long way since their
inception in the mid-20th century. Fifty years ago, only rudimentary approximations for very …
inception in the mid-20th century. Fifty years ago, only rudimentary approximations for very …
Recent advances in the theory and molecular simulation of biological electron transfer reactions
J Blumberger - Chemical reviews, 2015 - ACS Publications
1. INTRODUCTION AND OVERVIEW The transfer and transport of electrons through
biological matter is one of the key steps underlying cellular energy harvesting, storage, and …
biological matter is one of the key steps underlying cellular energy harvesting, storage, and …
Biochemical and artificial pathways for the reduction of carbon dioxide, nitrite and the competing proton reduction: effect of 2 nd sphere interactions in catalysis
Reduction of oxides and oxoanions of carbon and nitrogen are of great contemporary
importance as they are crucial for a sustainable environment. Substantial research has been …
importance as they are crucial for a sustainable environment. Substantial research has been …
[FeFe]-hydrogenase oxygen inactivation is initiated at the H cluster 2Fe subcluster
KD Swanson, MW Ratzloff, DW Mulder… - Journal of the …, 2015 - ACS Publications
The [FeFe]-hydrogenase catalytic site H cluster is a complex iron sulfur cofactor that is
sensitive to oxygen (O2). The O2 sensitivity is a significant barrier for production of hydrogen …
sensitive to oxygen (O2). The O2 sensitivity is a significant barrier for production of hydrogen …
Mechanism of O2 diffusion and reduction in FeFe hydrogenases
FeFe hydrogenases are the most efficient H2-producing enzymes. However, inactivation by
O2 remains an obstacle that prevents them being used in many biotechnological devices …
O2 remains an obstacle that prevents them being used in many biotechnological devices …
Oxygen-Tolerant H2 Production by [FeFe]-H2ase Active Site Mimics Aided by Second Sphere Proton Shuttle
The instability of [FeFe]-H2ases and their biomimetics toward O2 renders them inefficient to
implement in practical H2 generation (HER). Previous investigations on synthetic models as …
implement in practical H2 generation (HER). Previous investigations on synthetic models as …
Mechanism of oxygen activation in a flavin-dependent monooxygenase: a nearly barrierless formation of C4a-hydroperoxyflavin via proton-coupled electron transfer
S Visitsatthawong, P Chenprakhon… - Journal of the …, 2015 - ACS Publications
Understanding how flavin-dependent enzymes activate oxygen for their oxidation and
oxygenation reactions is one of the most challenging issues in flavoenzymology. Density …
oxygenation reactions is one of the most challenging issues in flavoenzymology. Density …
A Dynamic Water Channel Affects O2 Stability in [FeFe]‐Hydrogenases
Abstract [FeFe]‐hydrogenases are capable of reducing protons at a high rate. However,
molecular oxygen (O2) induces the degradation of their catalytic cofactor, the H‐cluster …
molecular oxygen (O2) induces the degradation of their catalytic cofactor, the H‐cluster …
Comparison of H 2 photogeneration by [FeFe]-hydrogenase mimics with CdSe QDs and Ru (bpy) 3 Cl 2 in aqueous solution
Two water soluble [FeFe]-hydrogenase ([FeFe]-H2ase) mimics, Fe2S2-2SO3Na (1) and
Fe2S2-SO3Na (2), were designed to compare the performance of photocatalytic H2 …
Fe2S2-SO3Na (2), were designed to compare the performance of photocatalytic H2 …