Francesca Mocci

Mostrati risultati da 1 a 50 di 67
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 -
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
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 -
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 -
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 -
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 -
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
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 -
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 -
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 -
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 -
Ionic liquids for CO2 electrochemical reduction 1-gen-2021 Li, Fangfang; Mocci, Francesca; Zhang, Xiangping; Ji, Xiaoyan; Laaksonen, Aatto CHINESE JOURNAL OF CHEMICAL ENGINEERING -
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 -
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 -
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 -
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 -
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 -
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 -
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 -
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 -
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 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 -
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 -
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 -
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 -
BASE SEQUENCE SPECIFICITY OF COUNTERION BINDING TO DNA: WHAT CAN MD SIMULATIONS TELL US? 1-gen-2016 Atzori, Alessio; Liggi, Sonia; Laaksonen, AATTO ILMARI; Porcu, Massimiliano; Lyubartsev, Alexander; Saba, Giuseppe; Mocci, Francesca CANADIAN JOURNAL OF CHEMISTRY -
Combining MD simulations and NMR spectroscopy for molecular insight and methodological synergy: the integrated MD-NMR method 1-gen-2015 Mocci, Francesca; Laaksonen, AATTO ILMARI - Royal Society of Chemistry
Multiscale simulations of human telomeric G-quadruplex DNA 1-gen-2015 Rebic, M.; Mocci, Francesca; Laaksonen, A.; Ulicny, J. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL -
Rotation dynamics do not determine the unexpected isotropy of methyl radical EPR spectra 1-gen-2015 Benetis, N. P.; Dmitriev, Y.; Mocci, Francesca; Laaksonen, A. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY -
NMR, calorimetry, and computational studies of aqueous solutions of N-methyl-2-pyrrolidone 1-gen-2014 Usula, Marianna; Porcedda, Silvia; Mocci, Francesca; Gontrani, L; Caminiti, R; CESARE MARINCOLA, Flaminia JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL -
Glucose oxidase from Penicillium amagasakiense: Characterization of the transition state of its denaturation from molecular dynamics simulations 1-gen-2014 Todde, G.; Hovmoller, S.; Laaksonen, A.; Mocci, Francesca PROTEINS -
CompChem and NMR Probing Ionic Liquids 1-gen-2014 Mocci, Francesca; Laaksonen, Aatto; Wang, Yong Lei; Saba, Giuseppe; Lai, Adolfo; CESARE MARINCOLA, Flaminia SOFT AND BIOLOGICAL MATTER Springer International Publishing Switzerland
Thermo-physical properties of ammonium-based ionic liquid + N-methyl-2-pyrrolidone mixtures at 298.15K 1-gen-2014 Usula, Marianna; Matteoli, Enrico; Leonelli, F; Mocci, Francesca; CESARE MARINCOLA, Flaminia; Gontrani, Lorenzo; Porcedda, Silvia FLUID PHASE EQUILIBRIA -
Non-Uniform FFT and Its Applications in Particle Simulations 1-gen-2014 Wang, Yong Lei; Hedman, Fredrik; Porcu, Massimiliano; Mocci, Francesca; Laaksonen, Aatto APPLIED MATHEMATICS -
The structural organization of N-methyl-2-pyrrolidone + water mixtures: A densitometry, x-ray diffraction, and molecular dynamics study 1-gen-2014 Usula, Marianna; Mocci, Francesca; CESARE MARINCOLA, Flaminia; Porcedda, Silvia; Gontrani, Lorenzo; Caminiti, R. THE JOURNAL OF CHEMICAL PHYSICS -
A quantum mechanics/molecular dynamics study of electric field gradient fluctuations in the liquid phase. The case of Na+ in aqueous solution 1-gen-2013 Aidas, K; Ågren, H; Kongsted, J; Laaksonen, A; Mocci, Francesca PHYSICAL CHEMISTRY CHEMICAL PHYSICS -
Partial atomic charges and their impact on the free energy of solvation 1-gen-2013 Jämbeck, Jpm; Mocci, Francesca; Lyubartsev, Ap; Laaksonen, A. JOURNAL OF COMPUTATIONAL CHEMISTRY -
Are Weinreb Amides True Amides? Preliminary Results by a 13C and 17O NMR Spectroscopic Study 1-gen-2013 Bernard, ANGELA MARIA; Cabiddu, MARIA GRAZIA; Cerioni, G; De Montis, S; Fusaro, L; Mocci, Francesca - Società Chimica Italiana
M.DynaMix Studies of Solvation, Solubility and Permeability 1-gen-2012 Laaksonen, A; Lyubartsev, A; Mocci, Francesca - Intech
Mostrati risultati da 1 a 50 di 67
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