Detalhe da pesquisa
1.
Normal vs. Inverted Ordering of Reduction Potentials in [FeFe]-Hydrogenases Biomimetics: Effect of the Dithiolate Bulk.
Chemistry
; 29(38): e202300569, 2023 Jul 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-37015870
2.
C-Cl Bond Activation at Rotated vs Unrotated Dinuclear Site Related to [FeFe]-Hydrogenases.
Inorg Chem
; 62(51): 20913-20918, 2023 Dec 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38047903
3.
Synthesis, Spectroscopy, and Structure of [FeRu(µ-dithiolate)(CN)2(CO)4]2.
Inorg Chem
; 62(41): 16842-16853, 2023 Oct 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-37788376
4.
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes.
Int J Mol Sci
; 24(7)2023 Mar 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-37047341
5.
Assessing the Performance of Non-Equilibrium Thermodynamic Integration in Flavodoxin Redox Potential Estimation.
Molecules
; 28(16)2023 Aug 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-37630271
6.
A De Novo-Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity.
Angew Chem Int Ed Engl
; 62(1): e202211552, 2023 01 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-36334012
7.
Homology-based classification of accessory proteins in coronavirus genomes uncovers extremely dynamic evolution of gene content.
Mol Ecol
; 31(13): 3672-3692, 2022 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-35575901
8.
Machine Learning for Efficient Prediction of Protein Redox Potential: The Flavoproteins Case.
J Chem Inf Model
; 62(19): 4748-4759, 2022 10 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-36126254
9.
Insights into Triazolylidene Ligands Behaviour at a Di-Iron Site Related to [FeFe]-Hydrogenases.
Molecules
; 27(15)2022 Jul 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-35897863
10.
First-Principles Calculations on Ni,Fe-Containing Carbon Monoxide Dehydrogenases Reveal Key Stereoelectronic Features for Binding and Release of CO2 to/from the C-Cluster.
Inorg Chem
; 60(1): 387-402, 2021 Jan 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-33321036
11.
Computational and Experimental Investigations of the Fe2(µ-S2)/Fe2(µ-S)2 Equilibrium.
Inorg Chem
; 60(6): 3917-3926, 2021 Mar 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-33650855
12.
Insights into the Two-Electron Reductive Process of [FeFe]H2 ase Biomimetics: Cyclic Voltammetry and DFT Investigation on Chelate Control of Redox Properties of [Fe2 (CO)4 (κ2 -Chelate)(µ-Dithiolate)].
Chemistry
; 26(72): 17536-17545, 2020 Dec 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-32722853
13.
Rational Design of Fe2 (µ-PR2 )2 (L)6 Coordination Compounds Featuring Tailored Potential Inversion.
Chemphyschem
; 21(20): 2279-2292, 2020 10 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-32815583
14.
Synthesis, Molecular Modeling and Biological Evaluation of Metabolically Stable Analogues of the Endogenous Fatty Acid Amide Palmitoylethanolamide.
Int J Mol Sci
; 21(23)2020 Nov 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33260658
15.
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry.
Chemistry
; 25(5): 1227-1241, 2019 Jan 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-30475417
16.
Synthetic Designs and Structural Investigations of Biomimetic Ni-Fe Thiolates.
Inorg Chem
; 58(4): 2430-2443, 2019 Feb 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-30707014
17.
Redox Potentials of Small Inorganic Radicals and Hexa-Aquo Complexes of First-Row Transition Metals in Water: A DFT Study Based on the Grand Canonical Ensemble.
J Phys Chem A
; 123(32): 6948-6957, 2019 Aug 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-31318210
18.
Electrochemical and Theoretical Investigations of the Oxidatively Induced Reactivity of the Complex [Fe2 (CO)4 (κ2 -dmpe)(µ-adtBn )] Related to the Active Site of [FeFe] Hydrogenases.
Chemistry
; 24(56): 15036-15051, 2018 Oct 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-30011362
19.
Electron-Rich, Diiron Bis(monothiolato) Carbonyls: C-S Bond Homolysis in a Mixed Valence Diiron Dithiolate.
Inorg Chem
; 57(8): 4409-4418, 2018 Apr 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-29620876
20.
Influence of the Dithiolate Bridge on the Oxidative Processes of Diiron Models Related to the Active Site of [FeFe] Hydrogenases.
Chemistry
; 23(18): 4364-4372, 2017 Mar 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-28052527