Second and outer coordination sphere effects in nitrogenase, hydrogenase, formate dehydrogenase, and CO dehydrogenase

ST Stripp, BR Duffus, V Fourmond, C Léger… - Chemical …, 2022 - ACS Publications
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 …

Hydrogenases

W Lubitz, H Ogata, O Rudiger, E Reijerse - Chemical reviews, 2014 - ACS Publications
The reaction takes place at a specialized metal center that dramatically increases the acidity
of H2 and leads to a heterolytic splitting of the molecule which is strongly accelerated by the …

[HTML][HTML] Controlling redox enzyme orientation at planar electrodes

VP Hitaishi, R Clement, N Bourassin, M Baaden… - Catalysts, 2018 - mdpi.com
Redox enzymes, which catalyze reactions involving electron transfers in living organisms,
are very promising components of biotechnological devices, and can be envisioned for …

Multiscale Simulations Give Insight into the Hydrogen In and Out Pathways of [NiFe]-Hydrogenases from Aquifex aeolicus and Desulfovibrio fructosovorans

F Oteri, M Baaden, E Lojou… - The Journal of Physical …, 2014 - ACS Publications
[NiFe]-hydrogenases catalyze the cleavage of molecular hydrogen into protons and
electrons and represent promising tools for H2-based technologies such as biofuel cells …

Characterization of the bottlenecks and pathways for inhibitor dissociation from [NiFe] hydrogenase

F Sohraby, A Nunes-Alves - Journal of Chemical Information and …, 2024 - ACS Publications
[NiFe] hydrogenases can act as efficient catalysts for hydrogen oxidation and biofuel
production. However, some [NiFe] hydrogenases are inhibited by gas molecules present in …

Influence of the protein structure surrounding the active site on the catalytic activity of [NiFeSe] hydrogenases

O Gutiérrez-Sanz, MC Marques, CSA Baltazar… - JBIC Journal of …, 2013 - Springer
A combined experimental and theoretical study of the catalytic activity of a [NiFeSe]
hydrogenase has been performed by H/D exchange mass spectrometry and molecular …

[HTML][HTML] QM/MM study of the binding of H2 to MoCu CO dehydrogenase: development and applications of improved H2 van der Waals parameters

A Rovaletti, C Greco, U Ryde - Journal of Molecular Modeling, 2021 - Springer
The MoCu CO dehydrogenase enzyme not only transforms CO into CO 2 but it can also
oxidise H 2. Even if its hydrogenase activity has been known for decades, a debate is …

Engineering Hydrogenases for H2 Production: Bolts and Goals

M Rousset, PP Liebgott - Microbial BioEnergy: hydrogen production, 2014 - Springer
Hydrogenases are efficient biological catalysts of H 2 oxidation and production. Most of them
are inhibited by oxygen, and a prerequisite for their use in biotechnological applications …

O2 Migration Rates in [NiFe] Hydrogenases. A Joint Approach Combining Free-Energy Calculations and Kinetic Modeling

J Topin, J Diharce, S Fiorucci… - The Journal of …, 2014 - ACS Publications
Hydrogenases are promising candidates for the catalytic production of green energy by
means of biological ways. The major impediment to such a production is rooted in their …

[PDF][PDF] Cellular and molecular basis of atmospheric hydrogen and carbon monoxide oxidation in mycobacteria

PR Cordero - PhD Thesis, 2020 - researchgate.net
Mycobacteria are known for their ability to survive nutrient limitation by oxidizing
atmospheric trace gases. In the genetically tractable soil actinobacterium Mycobacterium …