Noncovalent interactions between the second coordination sphere and the active site of [NiFeSe] hydrogenase

RSC Advances ◽  
2016 ◽  
Vol 6 (85) ◽  
pp. 81636-81646 ◽  
Author(s):  
Swaminathan Angeline Vedha ◽  
Gunasekaran Velmurugan ◽  
Ponnambalam Venuvanalingam
Keyword(s):  
Coordination Sphere ◽  
Active Site ◽  
Noncovalent Interactions ◽  
Second Coordination Sphere

QM/MM studies on seven truncated models of the oxidized as-isolated state of the [NiFeSe] Hases reveal the influence of the residues in the second coordination sphere on the active site.

Directing protonation in [FeFe] hydrogenase active site models by modifications in their second coordination sphere

2010 ◽  
Vol 46 (31) ◽  
pp. 5775 ◽  
Author(s):  
Salah Ezzaher ◽  
Adolf Gogoll ◽  
Clemens Bruhn ◽  
Sascha Ott
Keyword(s):  
Coordination Sphere ◽  
Active Site ◽  
Second Coordination Sphere

scholarly journals Recent advances in metalloporphyrin-based catalyst design towards carbon dioxide reduction: from bio-inspired second coordination sphere modifications to hierarchical architectures

2020 ◽  
Vol 49 (8) ◽  
pp. 2381-2396 ◽  
Author(s):  
Philipp Gotico ◽  
Zakaria Halime ◽  
Ally Aukauloo
Keyword(s):  
Carbon Dioxide ◽  
Coordination Sphere ◽  
Three Dimensional ◽  
Carbon Dioxide Reduction ◽  
Catalyst Design ◽  
Recent Advances ◽  
Hierarchical Architectures ◽  
Second Coordination Sphere

The progress in CO2 reduction catalyst design was examined starting from simple metalloporphyrin structures and progressing to three-dimensional active architectures.

scholarly journals An amide-based second coordination sphere promotes the dimer pathway of Mn-catalyzed CO2-to-CO reduction at low overpotential

2021 ◽  
Vol 12 (13) ◽  
pp. 4779-4788
Author(s):  
Yong Yang ◽  
Mehmed Z. Ertem ◽  
Lele Duan
Keyword(s):  
Coordination Sphere ◽  
Bond Cleavage ◽  
Low Overpotential ◽  
Second Coordination Sphere ◽  
Co Reduction ◽  
Reduction Catalysts

The amide NH group decreases the overpotential of Mn-based CO2 reduction catalysts by promoting the dimer and protonation-first pathways in the presence of H2O and enhances the CO2 electroreduction activity by facilitating C–OH bond cleavage.

scholarly journals Selective Formation of an FeIV O or an FeIII OOH Intermediate From Iron(II) and H2 O2 : Controlled Heterolytic versus Homolytic Oxygen-Oxygen Bond Cleavage by the Second Coordination Sphere

2018 ◽  
Vol 131 (3) ◽  
pp. 864-868 ◽  
Author(s):  
Khaled Cheaib ◽  
M. Qadri E. Mubarak ◽  
Katell Sénéchal-David ◽  
Christian Herrero ◽  
Régis Guillot ◽  
...  
Keyword(s):  
Coordination Sphere ◽  
Bond Cleavage ◽  
Oxygen Oxygen ◽  
Second Coordination Sphere ◽  
Selective Formation ◽  
Oxygen Bond
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