Università degli Studi di Cagliari
Monica Pibiri
High-Load-Triggered Nanoscale Superlubricity in Long-Chain Borate Ionic Liquids
2026-01-01 Wu, Muqiu; Zhou, Guobing; Le, Renxi; Xie, Yi; Laaksonen, Aatto; Mocci, Francesca; Zhao, Xiaoduo; Cai, Meirong; An, Rong
Ions as Architects of DNA Nanostructures: Mechanisms, Simulations, and Technological Frontiers
2026-01-01 Perepelytsya, Sergiy; Piatnytskyi, Dmytro; Bubon, Tetiana; Cibotariu, Narcis; Laaksonen, Aatto; Mocci, Francesca
Beyond Murray’s Law: Resistance Matching Principle for Optimal Fluid Transport in Hierarchical Nanomaterials
2026-01-01 Cao, Jian; Deng, Xueting; Liu, Zehui; Laaksonen, Aatto; Ji, Xiaoyan; Mocci, Francesca; Feng, Xin; Zhu, Yudan; Ling, Xiang; Lu, Xiaohua
On the mechanism behind the enhanced solubility of glibenclamide in aqueous ionic liquid solution
2025-01-01 Murnikova, Žyginta; Klimavicius, Vytautas; Mocci, Francesca; Laaksonen, Aatto; Aidas, Kęstutis
Towards accurate modelling of 1H NMR spectra of ionic liquids: The case of [C4mim][BF4] and its aqueous mixtures
2025-01-01 Sipavičius, Einaras; Majauskaitė, Greta; Lengvinaitė, Dovilė; Bielskutė, Stasė; Klimavicius, Vytautas; Mocci, Francesca; Laaksonen, Aatto; Aidas, Kęstutis
Deep Eutectic Solvents Meet Non-Aqueous Cosolvents: A Modeling and Simulation Perspective─A Tutorial Review
2025-01-01 De Villiers Engelbrecht, Leon; Cibotariu, Narcis; Ji, Xiaoyan; Laaksonen, Aatto; Mocci, Francesca
Revisiting Fused‐Pyrrolo‐1,10‐Phenanthroline Derivatives: Novel Transformations and Stability Studies
2025-01-01 Al Matarneh, Cristina M.; Nicolescu, Alina; Shova, Sergiu; Apostu, Mircea; Puf, Razvan; Mocci, Francesca; Laaksonen, Aatto; Mangalagiu, Ionel I.; Danac, Ramona
Thermodynamics and kinetics of early stages of carbon dot formation: a case of citric acid and ethylenediamine reaction
2025-01-01 Pykal, Martin; Nociarová, Jela; Řeha, David; Filo, Juraj; Šebela, Marek; Zajíček, Petr; Paloncýová, Markéta; Olla, Chiara; Mocci, Francesca; Cappai, Antonio; Carbonaro, Carlo Maria; Baďura, Zdeněk; Zdražil, Lukáš; Zbořil, Radek; Rogach, Andrey L.; Medveď, Miroslav; Otyepka, Michal
Voltage-Dependent Molecular Assembly at Ionic Liquid-Gold Interfaces: Quantifying Ion Structuring and Interaction Forces
2025-01-01 Wu, Muqiu; Le, Renxi; Wang, Li; Shah, Faiz Ullah; Laaksonen, Aatto; Mocci, Francesca; An, Rong
Graphene quantum dots and carbon nanodots: modeling of zero-dimensional carbon nanomaterials
2024-01-01 Carbonaro, CARLO MARIA; Engelbrecht, Leon; Olla, Chiara; Cappai, Antonio; Maria, ; Casula, Francesca; Melis, Claudio; Stagi, Luigi; Laaksonen, Aatto; Mocci, Francesca
Unusual bending patterns of spermidine3+ bound to DNA double helix
2024-01-01 Perepelytsya, Sergiy; Vasiliu, Tudor; Laaksonen, Aatto; Engelbrecht, Leon De Villiers; Mocci, Francesca
Section Introduction: Molecular Dynamics Simulations and Reaction Rates
2024-01-01 Laaksonen, Aatto; Mocci, Francesca
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
Complex Biophysical and Computational Analyses of G‐Quadruplex Ligands: The Porphyrin Stacks Back
2024-01-01 Satta, Giuseppe; Trajkovski, Marko; Cantara, Alessio; Mura, Monica; Meloni, Claudia; Olla, Giulia; Dobrovolná, Michaela; Pisano, Luisa; Gaspa, Silvia; Salis, Andrea; De Luca, Lidia; Mocci, Francesca; Brazda, Vaclav; Plavec, Janez; Carraro, Massimo
Nucleic acid-binding bis-acridine orange dyes with improved properties for bioimaging and PCR applications
2024-01-01 Kulyk, Olesia; Krivoshey, Alexander; Kolosova, Olga; Prylutska, Ivanna; Vasiliu, Tudor; Puf, Razvan; Mocci, Francesca; Laaksonen, Aatto; Perepelytsya, Sergiy; Kobzev, Dmytro; Svoiakov, Rostyslav; Tkachuk, Zenoviy; Tatarets, Anatoliy
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
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
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
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
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
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
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.
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.
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
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
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
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
Insight into the Molecular Model in Carbon Dots through Experimental and Theoretical Analysis of Citrazinic Acid in Aqueous Solution
2021-01-01 Cappai, A.; Melis, C.; Stagi, L.; Ricci, P. C.; Mocci, F.; Carbonaro, C. M.
Ionic liquids for CO2 electrochemical reduction
2021-01-01 Li, Fangfang; Mocci, Francesca; Zhang, Xiangping; Ji, Xiaoyan; Laaksonen, Aatto
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
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.
Spectroscopic and in silico studies on the interaction of substituted pyrazolo[1,2-a]benzo[1,2,3,4]tetrazine-3-one derivatives with c-myc g4-dna
2021-01-01 Mulliri, S.; Laaksonen, A.; Spanu, P.; Farris, R.; Farci, M.; Mingoia, F.; Roviello, G. N.; Mocci, F.
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
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.
In silico study of PEI-PEG-squalene-dsDNA polyplex formation: the delicate role of the PEG length in the binding of PEI to DNA
2021-01-01 Vasiliu, Tudor; Craciun, Bogdan Florin; Neamtu, Andrei; Clima, Lilia; Isac, Dragos Lucian; Maier, Stelian S.; Pinteala, Mariana; Mocci, Francesca; Laaksonen, Aatto
Theoretical and Experimental Study of the Excess Thermodynamic Properties of Highly Nonideal Liquid Mixtures of Butanol Isomers + DBE
2021-01-01 Engelbrecht, Leon de Villiers; Farris, Riccardo; Vasiliu, Tudor; Demurtas, Monica; Piras, Alessandra; Cesare Marincola, Flaminia; Laaksonen, Aatto; Porcedda, Silvia; Mocci, Francesca
Novel homogeneous selective electrocatalysts for CO2 reduction: an electrochemical and computational study of cyclopentadienyl-phenylendiamino-cobalt complexes
2020-01-01 Melis, Nicola; Mocci, Francesca; Vacca, Annalisa; Pilia, Luca
Microstructural and Dynamical Heterogeneities in Ionic Liquids
2020-01-01 Wang, Y. -L.; Li, B.; Sarman, S.; Mocci, F.; Lu, Z. -Y.; Yuan, J.; Laaksonen, A.; Fayer, M. D.
Multigranular modeling of ionic liquids
2019-01-01 Wang, Yong-Lei; Sarman, Sten; Golets, Mikhail; Mocci, Francesca; Lu and Aatto Laaksonen, Zhong-Yuan
Pattern preferences of DNA nucleotide motifs by polyamines putrescine2+, spermidine3+ and spermine4
2019-01-01 Perepelytsya, Sergiy; Uličný, Jozef; Laaksonen, Aatto; Mocci, Francesca
On the Charge-Transfer Excitations in Azobenzene Maleimide Compounds: A Theoretical Study
2019-01-01 Isac, Dragos Lucian; Airinei, Anton; Maftei, Dan; Humelnicu, Ionel; Mocci, Francesca; Laaksonen, Aatto; Pinteală, Mariana
On the Emission Properties of Carbon Dots: Reviewing Data and Discussing Models
2019-01-01 Carbonaro, Cm; Corpino, R; Salis, M; Mocci, F; Thakkar, Sv; Olla, C; Ricci, Pc
195Pt NMR and Molecular Dynamics Simulation Study of the Solvation of [PtCl6]2-in Water-Methanol and Water-Dimethoxyethane Binary Mixtures
2018-01-01 Engelbrecht, LEON DE VILLIERS; Mocci, F; Laaksonen, A; Koch, Kr
Inhomogeneity in ethylammonium nitrate–acetonitrile binary mixtures: The highest “low q excess” reported to date
2017-01-01 Mariani, Alessandro; Caminiti, Ruggero; Ramondo, Fabio; Salvitti, Giovanna; Mocci, Francesca; Lorenzo Gontrani, And
Coarse-Grained Simulation of Rodlike Higher-Order Quadruplex Structures at Different Salt Concentrations
2017-01-01 Rebič, Matúš; Mocci, Francesca; Uličný, Jozef; Lyubartsev, Alexander P.; Laaksonen, AATTO ILMARI
Reducing properties of 1,2-dipyridyl-1,2-disodioethanes: Chemical validation of theoretical and electrochemical predictions
2016-01-01 Azzena, U.; Carraro, M.; Pisano, L.; Mocci, Francesca; Antonello, S.; Maran, F.
Molecular dynamics simulation study of parallel telomeric DNA quadruplexes at different ionic strengths: evaluation of water and ion models
2016-01-01 Rebič, Matúš; Laaksonen, AATTO ILMARI; Šponer, Jiří; Uličný, Jozef; Mocci, Francesca
Drying oil detected in mid-third Millennium B.C. Mesopotamian clay artifacts: Raman spectroscopy and DFT simulation study
2016-01-01 Chiriu, Daniele; Ricci, PIER CARLO; Carbonaro, CARLO MARIA; Nadali, Davide; Polcaro, Andrea; Mocci, Francesca
| Titolo | Data di pubblicazione | Autore(i) | Rivista | Editore |
|---|---|---|---|---|
| High-Load-Triggered Nanoscale Superlubricity in Long-Chain Borate Ionic Liquids | 1-gen-2026 | Wu, Muqiu; Zhou, Guobing; Le, Renxi; Xie, Yi; Laaksonen, Aatto; Mocci, Francesca; Zhao, Xiaoduo; Cai, Meirong; An, Rong | ACS SUSTAINABLE CHEMISTRY & ENGINEERING | - |
| Ions as Architects of DNA Nanostructures: Mechanisms, Simulations, and Technological Frontiers | 1-gen-2026 | Perepelytsya, Sergiy; Piatnytskyi, Dmytro; Bubon, Tetiana; Cibotariu, Narcis; Laaksonen, Aatto; Mocci, Francesca | SMALL STRUCTURES | - |
| Beyond Murray’s Law: Resistance Matching Principle for Optimal Fluid Transport in Hierarchical Nanomaterials | 1-gen-2026 | Cao, Jian; Deng, Xueting; Liu, Zehui; Laaksonen, Aatto; Ji, Xiaoyan; Mocci, Francesca; Feng, Xin; Zhu, Yudan; Ling, Xiang; Lu, Xiaohua | ACS NANO | - |
| On the mechanism behind the enhanced solubility of glibenclamide in aqueous ionic liquid solution | 1-gen-2025 | Murnikova, Žyginta; Klimavicius, Vytautas; Mocci, Francesca; Laaksonen, Aatto; Aidas, Kęstutis | JOURNAL OF MOLECULAR LIQUIDS | - |
| Towards accurate modelling of 1H NMR spectra of ionic liquids: The case of [C4mim][BF4] and its aqueous mixtures | 1-gen-2025 | Sipavičius, Einaras; Majauskaitė, Greta; Lengvinaitė, Dovilė; Bielskutė, Stasė; Klimavicius, Vytautas; Mocci, Francesca; Laaksonen, Aatto; Aidas, Kęstutis | CHEMICAL PHYSICS LETTERS | - |
| Deep Eutectic Solvents Meet Non-Aqueous Cosolvents: A Modeling and Simulation Perspective─A Tutorial Review | 1-gen-2025 | De Villiers Engelbrecht, Leon; Cibotariu, Narcis; Ji, Xiaoyan; Laaksonen, Aatto; Mocci, Francesca | JOURNAL OF CHEMICAL AND ENGINEERING DATA | - |
| Revisiting Fused‐Pyrrolo‐1,10‐Phenanthroline Derivatives: Novel Transformations and Stability Studies | 1-gen-2025 | Al Matarneh, Cristina M.; Nicolescu, Alina; Shova, Sergiu; Apostu, Mircea; Puf, Razvan; Mocci, Francesca; Laaksonen, Aatto; Mangalagiu, Ionel I.; Danac, Ramona | CHEMISTRYOPEN | - |
| Thermodynamics and kinetics of early stages of carbon dot formation: a case of citric acid and ethylenediamine reaction | 1-gen-2025 | Pykal, Martin; Nociarová, Jela; Řeha, David; Filo, Juraj; Šebela, Marek; Zajíček, Petr; Paloncýová, Markéta; Olla, Chiara; Mocci, Francesca; Cappai, Antonio; Carbonaro, Carlo Maria; Baďura, Zdeněk; Zdražil, Lukáš; Zbořil, Radek; Rogach, Andrey L.; Medveď, Miroslav; Otyepka, Michal | NANOSCALE | - |
| Voltage-Dependent Molecular Assembly at Ionic Liquid-Gold Interfaces: Quantifying Ion Structuring and Interaction Forces | 1-gen-2025 | Wu, Muqiu; Le, Renxi; Wang, Li; Shah, Faiz Ullah; Laaksonen, Aatto; Mocci, Francesca; An, Rong | LANGMUIR | - |
| Graphene quantum dots and carbon nanodots: modeling of zero-dimensional carbon nanomaterials | 1-gen-2024 | Carbonaro, CARLO MARIA; Engelbrecht, Leon; Olla, Chiara; Cappai, Antonio; Maria, ; Casula, Francesca; Melis, Claudio; Stagi, Luigi; Laaksonen, Aatto; Mocci, Francesca | - | Woodhead Publishing; Elsevier |
| Unusual bending patterns of spermidine3+ bound to DNA double helix | 1-gen-2024 | Perepelytsya, Sergiy; Vasiliu, Tudor; Laaksonen, Aatto; Engelbrecht, Leon De Villiers; Mocci, Francesca | LOW TEMPERATURE PHYSICS | - |
| Section Introduction: Molecular Dynamics Simulations and Reaction Rates | 1-gen-2024 | Laaksonen, Aatto; Mocci, Francesca | - | Elsevier |
| 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 | - |
| Complex Biophysical and Computational Analyses of G‐Quadruplex Ligands: The Porphyrin Stacks Back | 1-gen-2024 | Satta, Giuseppe; Trajkovski, Marko; Cantara, Alessio; Mura, Monica; Meloni, Claudia; Olla, Giulia; Dobrovolná, Michaela; Pisano, Luisa; Gaspa, Silvia; Salis, Andrea; De Luca, Lidia; Mocci, Francesca; Brazda, Vaclav; Plavec, Janez; Carraro, Massimo | CHEMISTRY-A EUROPEAN JOURNAL | - |
| Nucleic acid-binding bis-acridine orange dyes with improved properties for bioimaging and PCR applications | 1-gen-2024 | Kulyk, Olesia; Krivoshey, Alexander; Kolosova, Olga; Prylutska, Ivanna; Vasiliu, Tudor; Puf, Razvan; Mocci, Francesca; Laaksonen, Aatto; Perepelytsya, Sergiy; Kobzev, Dmytro; Svoiakov, Rostyslav; Tkachuk, Zenoviy; Tatarets, Anatoliy | JOURNAL OF MATERIALS CHEMISTRY. B | - |
| 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 |
| 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 | - |
| 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 | - |
| 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 | - |
| 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 |
| 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 | - |
| 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 |
| 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 | - |
| 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 | - |
| 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 | - |
| 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 | - |
| 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 | - |
| Insight into the Molecular Model in Carbon Dots through Experimental and Theoretical Analysis of Citrazinic Acid in Aqueous Solution | 1-gen-2021 | Cappai, A.; Melis, C.; Stagi, L.; Ricci, P. C.; Mocci, F.; Carbonaro, C. M. | JOURNAL OF PHYSICAL CHEMISTRY. C | - |
| Ionic liquids for CO2 electrochemical reduction | 1-gen-2021 | Li, Fangfang; Mocci, Francesca; Zhang, Xiangping; Ji, Xiaoyan; Laaksonen, Aatto | CHINESE JOURNAL OF CHEMICAL 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 | - |
| 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 | - |
| Spectroscopic and in silico studies on the interaction of substituted pyrazolo[1,2-a]benzo[1,2,3,4]tetrazine-3-one derivatives with c-myc g4-dna | 1-gen-2021 | Mulliri, S.; Laaksonen, A.; Spanu, P.; Farris, R.; Farci, M.; Mingoia, F.; Roviello, G. N.; Mocci, F. | INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES | - |
| 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 | - |
| 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 | - |
| In silico study of PEI-PEG-squalene-dsDNA polyplex formation: the delicate role of the PEG length in the binding of PEI to DNA | 1-gen-2021 | Vasiliu, Tudor; Craciun, Bogdan Florin; Neamtu, Andrei; Clima, Lilia; Isac, Dragos Lucian; Maier, Stelian S.; Pinteala, Mariana; Mocci, Francesca; Laaksonen, Aatto | BIOMATERIALS SCIENCE | - |
| Theoretical and Experimental Study of the Excess Thermodynamic Properties of Highly Nonideal Liquid Mixtures of Butanol Isomers + DBE | 1-gen-2021 | Engelbrecht, Leon de Villiers; Farris, Riccardo; Vasiliu, Tudor; Demurtas, Monica; Piras, Alessandra; Cesare Marincola, Flaminia; Laaksonen, Aatto; Porcedda, Silvia; Mocci, Francesca | JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL | - |
| Novel homogeneous selective electrocatalysts for CO2 reduction: an electrochemical and computational study of cyclopentadienyl-phenylendiamino-cobalt complexes | 1-gen-2020 | Melis, Nicola; Mocci, Francesca; Vacca, Annalisa; Pilia, Luca | SUSTAINABLE ENERGY & FUELS | - |
| Microstructural and Dynamical Heterogeneities in Ionic Liquids | 1-gen-2020 | Wang, Y. -L.; Li, B.; Sarman, S.; Mocci, F.; Lu, Z. -Y.; Yuan, J.; Laaksonen, A.; Fayer, M. D. | CHEMICAL REVIEWS | - |
| Multigranular modeling of ionic liquids | 1-gen-2019 | Wang, Yong-Lei; Sarman, Sten; Golets, Mikhail; Mocci, Francesca; Lu and Aatto Laaksonen, Zhong-Yuan | - | Rasmus Fehrmann and Catherine Santini |
| Pattern preferences of DNA nucleotide motifs by polyamines putrescine2+, spermidine3+ and spermine4 | 1-gen-2019 | Perepelytsya, Sergiy; Uličný, Jozef; Laaksonen, Aatto; Mocci, Francesca | NUCLEIC ACIDS RESEARCH | - |
| On the Charge-Transfer Excitations in Azobenzene Maleimide Compounds: A Theoretical Study | 1-gen-2019 | Isac, Dragos Lucian; Airinei, Anton; Maftei, Dan; Humelnicu, Ionel; Mocci, Francesca; Laaksonen, Aatto; Pinteală, Mariana | JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY | - |
| On the Emission Properties of Carbon Dots: Reviewing Data and Discussing Models | 1-gen-2019 | Carbonaro, Cm; Corpino, R; Salis, M; Mocci, F; Thakkar, Sv; Olla, C; Ricci, Pc | C | - |
| 195Pt NMR and Molecular Dynamics Simulation Study of the Solvation of [PtCl6]2-in Water-Methanol and Water-Dimethoxyethane Binary Mixtures | 1-gen-2018 | Engelbrecht, LEON DE VILLIERS; Mocci, F; Laaksonen, A; Koch, Kr | INORGANIC CHEMISTRY | - |
| Inhomogeneity in ethylammonium nitrate–acetonitrile binary mixtures: The highest “low q excess” reported to date | 1-gen-2017 | Mariani, Alessandro; Caminiti, Ruggero; Ramondo, Fabio; Salvitti, Giovanna; Mocci, Francesca; Lorenzo Gontrani, And | THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS | - |
| Coarse-Grained Simulation of Rodlike Higher-Order Quadruplex Structures at Different Salt Concentrations | 1-gen-2017 | Rebič, Matúš; Mocci, Francesca; Uličný, Jozef; Lyubartsev, Alexander P.; Laaksonen, AATTO ILMARI | ACS OMEGA | - |
| Reducing properties of 1,2-dipyridyl-1,2-disodioethanes: Chemical validation of theoretical and electrochemical predictions | 1-gen-2016 | Azzena, U.; Carraro, M.; Pisano, L.; Mocci, Francesca; Antonello, S.; Maran, F. | RSC ADVANCES | - |
| Molecular dynamics simulation study of parallel telomeric DNA quadruplexes at different ionic strengths: evaluation of water and ion models | 1-gen-2016 | Rebič, Matúš; Laaksonen, AATTO ILMARI; Šponer, Jiří; Uličný, Jozef; Mocci, Francesca | JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL | - |
| Drying oil detected in mid-third Millennium B.C. Mesopotamian clay artifacts: Raman spectroscopy and DFT simulation study | 1-gen-2016 | Chiriu, Daniele; Ricci, PIER CARLO; Carbonaro, CARLO MARIA; Nadali, Davide; Polcaro, Andrea; Mocci, Francesca | MICROCHEMICAL JOURNAL | - |
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