BORTOLI, MARCO
BORTOLI, MARCO
Dipartimento di Scienze Chimiche - DiSC
Addition−Elimination or Nucleophilic Substitution? Understanding the Energy Profiles for the Reaction of Chalcogenolates with Dichalcogenides
2016 Bortoli, Marco; Wolters, LANDO PETER; Orian, Laura; Bickelhaupt, F. Matthias
Antioxidant potential of psychotropic drugs: From clinical evidence to in vitro and in vivo assessment and toward a new challenge for in silico molecular design
2020 Ribaudo, G.; Bortoli, M.; Pavan, C.; Zagotto, G.; Orian, L.
Fluoxetine scaffold to design tandem molecular antioxidants and green catalysts
2020 Ribaudo, G.; Bortoli, M.; Ongaro, A.; Oselladore, E.; Gianoncelli, A.; Zagotto, G.; Orian, L.
Investigation on the biological role of selenium: insight from DFT studies on model chalcogenides
2016 Bortoli, Marco; Orian, Laura; F., Matthias Bickelhaupt
Mechanistic Insight on the Oxidation of Organic Phenylselenides by H₂O₂
2017 Ribaudo, Giovanni; Bellanda, Massimo; Menegazzo, Ileana; Wolters, LANDO PETER; Bortoli, Marco; Ferrer Sueta, Gerardo; Zagotto, Giuseppe; Orian, Laura
Multiscale modeling of reaction rates: application to archetypal SN2 nucleophilic substitutions
2020 Campeggio, Jonathan; Bortoli, Marco; Orian, Laura; Zerbetto, Mirco; Polimeno, Antonino
Nature and strength of chalcogen-π bonds
2018 Bortoli, M.; Ahmad, S. M.; Hamlin, T. A.; Bickelhaupt, F. M.; Orian, L.
Oxidation of organic diselenides and ditellurides by H2O2 for bioinspired catalyst design
2018 Bortoli, Marco; Francesco, Zaccaria; DALLA TIEZZA, Marco; Bruschi, Matteo; Célia Fonseca Guerra, ; Matthias Bickelhaupt, F.; Orian, Laura
Psychiatric Disorders and Oxidative Injury: Antioxidant Effects of Zolpidem Therapy disclosed In Silico
2019 Bortoli, Marco; DALLA TIEZZA, Marco; Muraro, Cecilia; Pavan, Chiara; Ribaudo, Giovanni; Rodighiero, Anna; Tubaro, Cristina; Zagotto, Giuseppe; Orian, Laura
Radical scavenging activity of natural antioxidants and drugs: Development of a combined machine learning and quantum chemistry protocol
2020 Muraro, C.; Polato, M.; Bortoli, M.; Aiolli, F.; Orian, L.
Role of a different chalcogen on the oxidation mechanism of the glutathione peroxidase active site.
2017 Bortoli, Marco; Orian, Laura; Bickelhaupt, F. Matthias
Role of the Chalcogen (S, Se, Te) in the Oxidation Mechanism of the Glutathione Peroxidase Active Site
2017 Bortoli, Marco; Torsello, Mauro; Bickelhaupt, F. Matthias; Orian, Laura
Selenium in GPx biochemistry: Insights from DFT studies on model chalcogenides
2017 Bortoli, Marco; Orian, Laura; Bickelhaupt, F. Matthias
Sequential oxidations of phenylchalcogenides by H2O2: insights into the redox behavior of selenium via DFT analysis
2020 Bortoli, Marco; Bruschi, Matteo; Swart, Marcel; Orian, Laura
The 125Te Chemical Shift of Diphenyl Ditelluride: Chasing Conformers over a Flat Energy Surface
2019 Bortoli, Marco; DALLA TIEZZA, Marco; Muraro, Cecilia; Saielli, Giacomo; Orian, Laura
The Role of Selenium in Glutathione Peroxidase: Insights from Molecular Modeling
2018 Bortoli, Marco
Tuning on and off chemical- And photo-activity of exfoliated MoSe2nanosheets through morphologically selective "soft" covalent functionalization with porphyrins
2020 Blanco, M.; Lunardon, M.; Bortoli, M.; Mosconi, D.; Girardi, L.; Orian, L.; Agnoli, S.; Granozzi, G.