Sfoglia per Autore
Synthetic Approaches to Novel Human Carbonic Anhydrase Isoform Inhibitors Based on Pyrrol-2-one Moiety
2024-01-01 Al-Matarneh, Cristina M.; Pinteala, Mariana; Nicolescu, Alina; Silion, Mihaela; Mocci, Francesca; Puf, Razvan; Angeli, Andrea; Ferraroni, Marta; Supuran, Claudiu T.; Zara, Susi; Carradori, Simone; Paoletti, Niccolò; Bonardi, Alessandro; Gratteri, Paola
The Development of Hierarchical Ion Models and Multiscale Modeling of Tetraalkylphosphonium and Imidazolium Ionic Liquids
2023-01-01 Wang, Yong-Lei; Ji, Xiaoyan; Mocci, Francesca; Laaksonen, Aatto
Graphene quantum dots and carbon nanodots: modeling of zero-dimensional carbon nanomaterials
2023-01-01 Carbonaro, CARLO MARIA; Engelbrecht, Leon; Olla, Chiara; Cappai, Antonio; Maria, ; Casula, Francesca; Melis, Claudio; Stagi, Luigi; Laaksonen, Aatto; Mocci, Francesca
Towards an optimal monoclonal antibody with higher binding affinity to the receptor-binding domain of SARS-CoV-2 spike proteins from different variants
2023-01-01 Neamtu, Andrei; Mocci, Francesca; Laaksonen, Aatto; Barroso da Silva, Fernando L.
Exploring the Impact of Nitrogen Doping on the Optical Properties of Carbon Dots Synthesized from Citric Acid
2023-01-01 Olla, Chiara; Cappai, Antonio; Porcu, Stefania; Stagi, Luigi; Fantauzzi, Marzia; Casula, Maria Francesca; Mocci, Francesca; Corpino, Riccardo; Chiriu, Daniele; Ricci, Pier Carlo; Carbonaro, Carlo Maria
Conformational flexibility of spermidine3+ interacting with DNA double helix
2023-01-01 Perepelytsya, S.; Vasiliu, T.; Laaksonen, A.; Engelbrecht, L. D. V.; Brancato, G.; Mocci, F.
Sulphur vs NH Group: Effects on the CO2 Electroreduction Capability of Phenylenediamine-Cp Cobalt Complexes
2023-01-01 Melis, Nicola; Mocci, Francesca; Vacca, Annalisa; Pilia, Luca
Selecting molecular or surface centers in carbon dots-silica hybrids to tune the optical emission: A photo-physics study down to the atomistic level
2023-01-01 Olla, Chiara; Ricci, Pier Carlo; Chiriu, Daniele; Fantauzzi, Marzia; Casula, Maria Francesca; Mocci, Francesca; Cappai, Antonio; Porcu, Stefania; Stagi, Luigi; Carbonaro, Carlo Maria
Caging Polycations: Effect of Increasing Confinement on the Modes of Interaction of Spermidine3+ With DNA Double Helices
2022-01-01 Vasiliu, Tudor; Mocci, Francesca; Laaksonen, Aatto; Engelbrecht, Leon De Villiers; Perepelytsya, Sergiy
Carbon Nanodots from an In Silico Perspective
2022-01-01 Mocci, Francesca; de Villiers Engelbrecht, Leon; Olla, Chiara; Cappai, Antonio; Casula, Maria Francesca; Melis, Claudio; Stagi, Luigi; Laaksonen, Aatto; Carbonaro, Carlo Maria
MD simulations explain the excess molar enthalpies in pseudo-binary mixtures of a choline chloride-based deep eutectic solvent with water or methanol
2022-01-01 Engelbrecht, Leon de Villiers; Ji, Xiaoyan; Carbonaro, Carlo Maria; Laaksonen, Aatto; Mocci, Francesca
At the root of L-lysine emission in aqueous solutions
2022-01-01 Stagi, L.; Farris, R.; de Villiers Engelbrecht, L.; Mocci, F.; Maria Carbonaro, C.; Innocenzi, P.
Novel artificial ionic cofactors for efficient electro-enzymatic conversion of CO2 to formic acid
2022-01-01 Zhang, Zhibo; Vasiliu, Tudor; Li, Fangfang; Laaksonen, Aatto; Zhang, Xiangping; Mocci, Francesca; Ji, Xiaoyan
DNA-Polyamine Interactions: Insight from Molecular Dynamics Simulations on the Sequence-Specific Binding of Spermidine3+
2022-01-01 Mocci, F.; Laaksonen, A.; Engelbrecht, L.; Vasiliu, T.; Perepelytsya, S.
Molecular Perspective on Solutions and Liquid Mixtures from Modelling and Experiment
2022-01-01 Engelbrecht, Leon de Villiers; Mocci, Francesca; Wang, Yonglei; Perepelytsya, Sergiy; Vasiliu, Tudor; Laaksonen, Aatto
Photostable carbon dots with intense green emission in an open reactor synthesis
2022-01-01 Minervini, G; Panniello, A; Madonia, A; Carbonaro, Cm; Mocci, F; Sibillano, T; Giannini, C; Comparelli, R; Ingrosso, C; Depalo, N; Fanizza, E; Curri, Ml; Striccoli, M
Electrochemically driven efficient enzymatic conversion of CO2 to formic acid with artificial cofactors
2021-01-01 Zhang, Z.; Vasiliu, T.; Li, F.; Laaksonen, A.; Mocci, F.; Ji, X.
Formation of citrazinic acid ions and their contribution to optical and magnetic features of carbon nanodots: A combined experimental and computational approach
2021-01-01 Mocci, F.; Olla, C.; Cappai, A.; Corpino, R.; Ricci, P. C.; Chiriu, D.; Salis, M.; Carbonaro, C. M.
Cholinium-Based Ionic Liquids from Hydroxycinnamic Acids as New Promising Bioactive Agents: A Combined Experimental and Theoretical Investigation
2021-01-01 Demurtas, Monica; Onnis, Valentina; Zucca, Paolo; Rescigno, Antonio; Lachowicz, Joanna Izabela; De Villiers Engelbrecht, Leon; Nieddu, Mariella; Ennas, Guido; Scano, Alessandra; Mocci, Francesca; Cesare Marincola, Flaminia
Structural Features of the [C4mim][Cl] Ionic Liquid and Its Mixtures with Water: Insight from a 1H NMR Experimental and QM/MD Study
2021-01-01 Lengvinaitė, Dovilė; Kvedaraviciute, Sonata; Bielskutė, Stasė; Klimavicius, Vytautas; Balevicius, Vytautas; Mocci, Francesca; Laaksonen, Aatto; Aidas, Kęstutis
| Titolo | Data di pubblicazione | Autore(i) | Rivista | Editore |
|---|---|---|---|---|
| Synthetic Approaches to Novel Human Carbonic Anhydrase Isoform Inhibitors Based on Pyrrol-2-one Moiety | 1-gen-2024 | Al-Matarneh, Cristina M.; Pinteala, Mariana; Nicolescu, Alina; Silion, Mihaela; Mocci, Francesca; Puf, Razvan; Angeli, Andrea; Ferraroni, Marta; Supuran, Claudiu T.; Zara, Susi; Carradori, Simone; Paoletti, Niccolò; Bonardi, Alessandro; Gratteri, Paola | JOURNAL OF MEDICINAL CHEMISTRY | - |
| The Development of Hierarchical Ion Models and Multiscale Modeling of Tetraalkylphosphonium and Imidazolium Ionic Liquids | 1-gen-2023 | Wang, Yong-Lei; Ji, Xiaoyan; Mocci, Francesca; Laaksonen, Aatto | - | Elsevier |
| Graphene quantum dots and carbon nanodots: modeling of zero-dimensional carbon nanomaterials | 1-gen-2023 | Carbonaro, CARLO MARIA; Engelbrecht, Leon; Olla, Chiara; Cappai, Antonio; Maria, ; Casula, Francesca; Melis, Claudio; Stagi, Luigi; Laaksonen, Aatto; Mocci, Francesca | - | Woodhead Publishing - Elsevier |
| Towards an optimal monoclonal antibody with higher binding affinity to the receptor-binding domain of SARS-CoV-2 spike proteins from different variants | 1-gen-2023 | Neamtu, Andrei; Mocci, Francesca; Laaksonen, Aatto; Barroso da Silva, Fernando L. | COLLOIDS AND SURFACES. B, BIOINTERFACES | - |
| Exploring the Impact of Nitrogen Doping on the Optical Properties of Carbon Dots Synthesized from Citric Acid | 1-gen-2023 | Olla, Chiara; Cappai, Antonio; Porcu, Stefania; Stagi, Luigi; Fantauzzi, Marzia; Casula, Maria Francesca; Mocci, Francesca; Corpino, Riccardo; Chiriu, Daniele; Ricci, Pier Carlo; Carbonaro, Carlo Maria | NANOMATERIALS | - |
| Conformational flexibility of spermidine3+ interacting with DNA double helix | 1-gen-2023 | Perepelytsya, S.; Vasiliu, T.; Laaksonen, A.; Engelbrecht, L. D. V.; Brancato, G.; Mocci, F. | JOURNAL OF MOLECULAR LIQUIDS | - |
| Sulphur vs NH Group: Effects on the CO2 Electroreduction Capability of Phenylenediamine-Cp Cobalt Complexes | 1-gen-2023 | Melis, Nicola; Mocci, Francesca; Vacca, Annalisa; Pilia, Luca | MOLECULES | - |
| Selecting molecular or surface centers in carbon dots-silica hybrids to tune the optical emission: A photo-physics study down to the atomistic level | 1-gen-2023 | Olla, Chiara; Ricci, Pier Carlo; Chiriu, Daniele; Fantauzzi, Marzia; Casula, Maria Francesca; Mocci, Francesca; Cappai, Antonio; Porcu, Stefania; Stagi, Luigi; Carbonaro, Carlo Maria | JOURNAL OF COLLOID AND INTERFACE SCIENCE | - |
| Caging Polycations: Effect of Increasing Confinement on the Modes of Interaction of Spermidine3+ With DNA Double Helices | 1-gen-2022 | Vasiliu, Tudor; Mocci, Francesca; Laaksonen, Aatto; Engelbrecht, Leon De Villiers; Perepelytsya, Sergiy | FRONTIERS IN CHEMISTRY | - |
| Carbon Nanodots from an In Silico Perspective | 1-gen-2022 | Mocci, Francesca; de Villiers Engelbrecht, Leon; Olla, Chiara; Cappai, Antonio; Casula, Maria Francesca; Melis, Claudio; Stagi, Luigi; Laaksonen, Aatto; Carbonaro, Carlo Maria | CHEMICAL REVIEWS | - |
| MD simulations explain the excess molar enthalpies in pseudo-binary mixtures of a choline chloride-based deep eutectic solvent with water or methanol | 1-gen-2022 | Engelbrecht, Leon de Villiers; Ji, Xiaoyan; Carbonaro, Carlo Maria; Laaksonen, Aatto; Mocci, Francesca | FRONTIERS IN CHEMISTRY | - |
| At the root of L-lysine emission in aqueous solutions | 1-gen-2022 | Stagi, L.; Farris, R.; de Villiers Engelbrecht, L.; Mocci, F.; Maria Carbonaro, C.; Innocenzi, P. | SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | - |
| Novel artificial ionic cofactors for efficient electro-enzymatic conversion of CO2 to formic acid | 1-gen-2022 | Zhang, Zhibo; Vasiliu, Tudor; Li, Fangfang; Laaksonen, Aatto; Zhang, Xiangping; Mocci, Francesca; Ji, Xiaoyan | JOURNAL OF CO2 UTILIZATION | - |
| DNA-Polyamine Interactions: Insight from Molecular Dynamics Simulations on the Sequence-Specific Binding of Spermidine3+ | 1-gen-2022 | Mocci, F.; Laaksonen, A.; Engelbrecht, L.; Vasiliu, T.; Perepelytsya, S. | - | Springer |
| Molecular Perspective on Solutions and Liquid Mixtures from Modelling and Experiment | 1-gen-2022 | Engelbrecht, Leon de Villiers; Mocci, Francesca; Wang, Yonglei; Perepelytsya, Sergiy; Vasiliu, Tudor; Laaksonen, Aatto | - | Springer |
| Photostable carbon dots with intense green emission in an open reactor synthesis | 1-gen-2022 | Minervini, G; Panniello, A; Madonia, A; Carbonaro, Cm; Mocci, F; Sibillano, T; Giannini, C; Comparelli, R; Ingrosso, C; Depalo, N; Fanizza, E; Curri, Ml; Striccoli, M | CARBON | - |
| Electrochemically driven efficient enzymatic conversion of CO2 to formic acid with artificial cofactors | 1-gen-2021 | Zhang, Z.; Vasiliu, T.; Li, F.; Laaksonen, A.; Mocci, F.; Ji, X. | JOURNAL OF CO2 UTILIZATION | - |
| Formation of citrazinic acid ions and their contribution to optical and magnetic features of carbon nanodots: A combined experimental and computational approach | 1-gen-2021 | Mocci, F.; Olla, C.; Cappai, A.; Corpino, R.; Ricci, P. C.; Chiriu, D.; Salis, M.; Carbonaro, C. M. | MATERIALS | - |
| Cholinium-Based Ionic Liquids from Hydroxycinnamic Acids as New Promising Bioactive Agents: A Combined Experimental and Theoretical Investigation | 1-gen-2021 | Demurtas, Monica; Onnis, Valentina; Zucca, Paolo; Rescigno, Antonio; Lachowicz, Joanna Izabela; De Villiers Engelbrecht, Leon; Nieddu, Mariella; Ennas, Guido; Scano, Alessandra; Mocci, Francesca; Cesare Marincola, Flaminia | ACS SUSTAINABLE CHEMISTRY & ENGINEERING | - |
| Structural Features of the [C4mim][Cl] Ionic Liquid and Its Mixtures with Water: Insight from a 1H NMR Experimental and QM/MD Study | 1-gen-2021 | Lengvinaitė, Dovilė; Kvedaraviciute, Sonata; Bielskutė, Stasė; Klimavicius, Vytautas; Balevicius, Vytautas; Mocci, Francesca; Laaksonen, Aatto; Aidas, Kęstutis | JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL | - |
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