Sfoglia per Autore
Oxidation of Phospholipids by OH Radical Coordinated to Copper Amyloid-β Peptide—A Density Functional Theory Modeling
2023 Rovetta, A; Carosella, L; Arrigoni, F; Vertemara, J; De Gioia, L; Zampella, G; Bertini, L
Normal vs. Inverted Ordering of Reduction Potentials in [FeFe]-Hydrogenases Biomimetics: Effect of the Dithiolate Bulk
2023 Arrigoni, F; De Gioia, L; Elleouet, C; Pétillon, F; Schollhammer, P; Talarmin, J; Zampella, G
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes
2023 Rovaletti, A; De Gioia, L; Fantucci, P; Greco, C; Vertemara, J; Zampella, G; Arrigoni, F; Bertini, L
Use of the Asymmetrical Chelating N-Donor 2-Imino-Pyridine as a Redox [Fe4S4] Cubane Surrogate at a Di-Iron Site Related to [FeFe]-Hydrogenases
2023 Mele, A; Arrigoni, F; De Gioia, L; Elleouet, C; Pétillon, F; Schollhammer, P; Zampella, G
C-Cl Bond Activation at Rotated vs Unrotated Dinuclear Site Related to [FeFe]-Hydrogenases
2023 Chatelain, L; Arrigoni, F; Schollhammer, P; Zampella, G
Assessing the Performance of Non-Equilibrium Thermodynamic Integration in Flavodoxin Redox Potential Estimation
2023 Silvestri, G; Arrigoni, F; Persico, F; Bertini, L; Zampella, G; De Gioia, L; Vertemara, J
Synthesis, Spectroscopy, and Structure of [FeRu(μ-dithiolate)(CN)2(CO)4]2-
2023 Zhang, Y; Wang, P; Xue, S; Woods, T; Guo, Y; Zampella, G; Rauchfuss, T; Arrigoni, F
Insights into Triazolylidene Ligands Behaviour at a Di-Iron Site Related to [FeFe]-Hydrogenases
2022 Mele, A; Arrigoni, F; Elleouet, C; Petillon, F; Schollhammer, P; Zampella, G
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry
2022 Arrigoni, F; Rovaletti, A; Bertini, L; Breglia, R; De Gioia, L; Greco, C; Vertemara, J; Zampella, G; Fantucci, P
Geometrical influence on the non-biomimetic heterolytic splitting of H2 by bio-inspired [FeFe]-hydrogenase complexes: a rare example of inverted frustrated Lewis pair based reactivity
2022 Chatelain, L; Breton, J; Arrigoni, F; Schollhammer, P; Zampella, G
Superoxide Reduction by Cu-Amyloid Beta Peptide Complexes: A Density Functional Theory Study
2022 Arrigoni, F; Di Carlo, C; Rovetta, A; De Gioia, L; Zampella, G; Bertini, L
Toward Diiron Dithiolato Biomimetics with Rotated Conformation of the [FeFe]-Hydrogenase Active Site: A DFT Case Study on Electron-Rich, Isocyanide-Based Scaffolds
2022 Arrigoni, F; Rizza, F; Bertini, L; De Gioia, L; Zampella, G
Challenges in the Synthesis of Active Site Mimics for [NiFe]-Hydrogenases
2021 Basu, D; Gray, D; Woods, T; Rauchfuss, T; Arrigoni, F; Zampella, G
CO substitution by PPh3in Fe2S2(CO)6proceeds via a novel Fe2S intermediate
2021 Zhang, F; Woods, T; Rauchfuss, T; Arrigoni, F; Zampella, G
The Photochemistry of Fe2(S2C3H6)(CO)6(µ-CO) and Its Oxidized Form, Two Simple [FeFe]-Hydrogenase CO-Inhibited Models. A DFT and TDDFT Investigation
2021 Arrigoni, F; Zampella, G; De Gioia, L; Greco, C; Bertini, L
Proton Shuttle Mediated by (SCH2)2P= O Moiety in [FeFe]-Hydrogenase Mimics: Electrochemical and DFT Studies
2021 Almazahreh, L; Arrigoni, F; Abul-Futouh, H; El-Khateeb, M; Gorls, H; Elleouet, C; Schollhammer, P; Bertini, L; De Gioia, L; Rudolph, M; Zampella, G; Weigand, W
Computational and Experimental Investigations of the Fe2(μ-S2)/Fe2(μ-S)2Equilibrium
2021 Arrigoni, F; Zampella, G; Zhang, F; Kagalwala, H; Li, Q; Woods, T; Rauchfuss, T
On the propagation of the OH radical produced by Cu-amyloid beta peptide model complexes. Insight from molecular modelling
2020 Arrigoni, F; Rizza, F; Tisi, R; De Gioia, L; Zampella, G; Bertini, L
Insights into the two-electron reductive process of [FeFe]H2ase biomimetics. Cyclic voltammetry and DFT investigation on chelates control of redox properties of [Fe2(CO)4(κ2-chelate)(µ-dithiolate)]
2020 Schollhammer, P; Arrigoni, F; Elleouet, C; Mele, A; Pétillon, F; De Gioia, L; Zampella, G
DNA binding modes influence Rap1 activity in the regulation of telomere length and MRX functions at DNA ends
2020 Bonetti, D; Rinaldi, C; Vertemara, J; Notaro, M; Pizzul, P; Tisi, R; Zampella, G; Longhese, M
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