FORTINO, MARIAGRAZIA
FORTINO, MARIAGRAZIA
Dipartimento di Scienze della Salute
A DFT investigation of a bulky biomimetic model catalyzing the 5′-outer ring deiodination of thyroxine
2016-01-01 Fortino, Mariagrazia; Marino, Tiziana; Russo, Nino; Sicilia, Emilia
Amplified Chirality Transfer to Aromatic Molecules through Non-specific Inclusion by Amorphous, Hyperbranched Poly(fluorenevinylene) Derivatives
2023-01-01 Wu, P.; Pietropaolo, A.; Fortino, M.; Bando, M.; Maeda, K.; Nishimura, T.; Shimoda, S.; Sato, H.; Naga, N.; Nakano, T.
Assessment of interatomic parameters for the reproduction of borosilicate glass structures via DFT‐GIPAW calculations
2019-01-01 Fortino, Mariagrazia; Berselli, Alessandro; Stone‐weiss, Nicholas; Deng, Lu; Goel, Ashutosh; Du, Jincheng; Pedone, Alfonso
Atomistic modeling of metal-ligand chirality transfer and chiroptical properties of lead and tin hybrid perovskites
2023-01-01 Fortino, M.; Mattoni, A.; Pietropaolo, A.
Chiral self-organization of the TPPS4 porphyrin assisted by molecular rotations
2023-01-01 Schifino, G.; Fortino, M.; Scolaro, L. M.; Pietropaolo, A.
Combined Experimental and Computational Approach toward the Structural Design of Borosilicate-Based Bioactive Glasses
2020-01-01 Stone-Weiss, Nicholas; Bradtmüller, Henrik; Fortino, Mariagrazia; Bertani, Marco; Youngman, Randall E.; Pedone, Alfonso; Eckert, Hellmut; Goel, Ashutosh
Mechanism of Thyroxine Deiodination by Naphthyl‐Based Iodothyronine Deiodinase Mimics and the Halogen Bonding Role: A DFT Investigation
2015-01-01 Fortino, M.; Marino, T.; Russo, N.
Mechanistic investigation of trimethylamine-N-oxide reduction catalysed by biomimetic molybdenum enzyme models
2016-01-01 Fortino, M.; Marino, T.; Russo, N.; Sicilia, E.
Multi-replica biased sampling for photoswitchable π-conjugated polymers
2021-01-01 Fortino, M.; Cozza, C.; Bonomi, M.; Pietropaolo, A.
Multinuclear Metal-Binding Ability of the N-Terminal Region of Human Copper Transporter Ctr1: Dependence Upon pH and Metal Oxidation State
2022-01-01 Nardella, M. I.; Fortino, M.; Barbanente, A.; Natile, G.; Pietropaolo, A.; Arnesano, F.
Neurotrophic Activity and Its Modulation by Zinc Ion of a Dimeric Peptide Mimicking the Brain-Derived Neurotrophic Factor N-Terminal Region
2022-01-01 Russo, L.; Giacomelli, C.; Fortino, M.; Marzo, T.; Ferri, G.; Calvello, M.; Viegi, A.; Magri, A.; Pratesi, A.; Pietropaolo, A.; Cardarelli, F.; Martini, C.; Rizzarelli, E.; Marchetti, L.; La Mendola, D.; Trincavelli, M. L.
Non-uniform Self-folding of Helical Poly(fluorenevinylene) Derivatives in the Solid State Leading to Amplified Circular Dichroism and Circularly Polarized Light Emission
2022-01-01 Wu, P.; Pietropaolo, A.; Fortino, M.; Shimoda, S.; Maeda, K.; Nishimura, T.; Bando, M.; Naga, N.; Nakano, T.
Photo racemization of 2,2′-dihydroxy-1,1′-binaphthyl derivatives
2022-01-01 Wang, Q; Pietropaolo, A; Fortino, M; Song, Z; Bando, M; Naga, N; Nakano, T
Rationalizing the design and implementation of chiral hybrid perovskites
2022-01-01 Pietropaolo, A.; Mattoni, A.; Pica, A.; Fortino, M.; Schifino, G.; Grancini, G.
Simulation workflows to predict the circular dichroism and circularly polarized luminescence of chiral materials
2023-01-01 Fortino, M.; Schifino, G.; Pietropaolo, A.
Synthesis and characterization of polymethine dyes carrying thiobarbituric and carboxylic acid moieties
2022-01-01 Desvals, Arthur; Fortino, Mariagrazia; Lefebvre, Corentin; Rogier, Johann; Michelin, Clément; Alioui, Samy; Rousset, Elodie; Pedone, Alfonso; Lemercier, Gilles; Hoffmann, Norbert
The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl‐based mimetics
2019-01-01 Cesario, Diego; Fortino, Mariagrazia; Marino, Tiziana; Nunzi, Francesca; Russo, Nino; Sicilia, Emilia
The stepwise dissociation of the Zn(II)-bound Atox1 homodimer and its energetic asymmetry
2023-01-01 Fortino, M.; Schifino, G.; Vitone, D.; Arnesano, F.; Pietropaolo, A.
Two-Dimensional Electronic Spectroscopy Reveals Dynamics and Mechanisms of Solvent-Driven Inertial Relaxation in Polar BODIPY Dyes
2018-01-01 Bolzonello, Luca; Polo, Annalisa; Volpato, Andrea; Meneghin, Elena; Cordaro, Massimiliano; Trapani, Mariachiara; Fortino, Mariagrazia; Pedone, Alfonso; Castriciano, Maria Angela; Collini, Elisabetta
Unraveling the internal conversion process within the Q-bands of a chlorophyll-like-system through surface-hopping molecular dynamics simulations
2021-01-01 Fortino, Mariagrazia; Collini, Elisabetta; Bloino, Julien; Pedone, Alfonso