BERTINI, LUCA
BERTINI, LUCA
DIPARTIMENTO DI BIOTECNOLOGIE E BIOSCIENZE
Computational study of the structure and catalytic mechanism of xylene monooxygenase from Pseudomonas putida
2024 Sassi, T; Arrigoni, F; Bertini, L; Rizza, F; Rebuzzini, G; Vanoni, M; Brambilla, L
Mechanism of non-phenolic substrate oxidation by the fungal laccase Type 1 copper site from Trametes versicolor: the case of benzo[a]pyrene and anthracene
2024 Orlando, C; Rizzo, I; Arrigoni, F; Zampolli, J; Mangiagalli, M; Di Gennaro, P; Lotti, M; De Gioia, L; Marino, T; Greco, C; Bertini, L
Multidentate surfactants for improving stability and biological properties
2024 Giustra, M; Arrigoni, F; Novati, B; Garbujo, S; Salvioni, L; Colombo, A; Bertini, L; DE GIOIA, L; Colombo, M
A De Novo-Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity
2023 Pirro, F; La Gatta, S; Arrigoni, F; Famulari, A; Maglio, O; Del Vecchio, P; Chiesa, M; De Gioia, L; Bertini, L; Chino, M; Nastri, F; Lombardi, A
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
Conjugation of gold nanoparticles with multidentate surfactants for enhanced stability and biological properties
2023 Rotem, R; Giustra, M; Arrigoni, F; Bertolini, J; Garbujo, S; Rizzuto, M; Salvioni, L; Barbieri, L; Bertini, L; De Gioia, L; Colombo, M; Prosperi, D
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
Oxidative degradation of polyethylene by two novel laccase-like multicopper oxidases from Rhodococcus opacus R7
2023 Zampolli, J; Mangiagalli, M; Vezzini, D; Lasagni, M; Ami, D; Natalello, A; Arrigoni, F; Bertini, L; Lotti, M; Di Gennaro, P
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
Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation
2022 Villa, A; Doglia, S; De Gioia, L; Natalello, A; Bertini, L
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
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
Mechanism of Hydrogen Sulfide-Dependent Inhibition of FeFe Hydrogenase
2021 Felbek, C; Arrigoni, F; de Sancho, D; Jacq-Bailly, A; Best, R; Fourmond, V; Bertini, L; Leger, C
Photochemistry and photoinhibition of the H-cluster of FeFe hydrogenases
2021 Sensi, M; Baffert, C; Fourmond, V; De Gioia, L; Bertini, L; Leger, C
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
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
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions
2020 Arrigoni, F; Bertini, L; Breglia, R; Greco, C; De Gioia, L; Zampella, G
On the importance of cyanide in diiron bridging carbyne complexes, unconventional [FeFe]-hydrogenase mimics without dithiolate: An electrochemical and DFT investigation
2020 Arrigoni, F; Bertini, L; De Gioia, L; Zampella, G; Mazzoni, R; Cingolani, A; Gualandi, I; Tonelli, D; Zanotti, V
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