Works matching AU Russo, Nino

Results: 127

Activation by Glutathione in Hypoxic Environment of an Azo‐based Rhodamine Activatable Photosensitizer. A Computational Elucidation.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 13, p. 1, doi. 10.1002/chem.202104083

By:

Ponte, Fortuna;
Mazzone, Gloria;
Russo, Nino;
Sicilia, Emilia

Publication type:

Article

How Lanthanide Ions Affect the Addition–Elimination Step of Methanol Dehydrogenases.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 49, p. 11334, doi. 10.1002/chem.202001855

By:

Prejanò, Mario;
Russo, Nino;
Marino, Tiziana

Publication type:

Article

Spin–Orbit Charge‐Transfer Intersystem Crossing (ISC) in Compact Electron Donor–Acceptor Dyads: ISC Mechanism and Application as Novel and Potent Photodynamic Therapy Reagents.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 5, p. 1091, doi. 10.1002/chem.201904306

By:

Wang, Zhijia;
Ivanov, Mikhail;
Gao, Yuting;
Bussotti, Laura;
Foggi, Paolo;
Zhang, Huimin;
Russo, Nino;
Dick, Bernhard;
Zhao, Jianzhang;
Di Donato, Mariangela;
Mazzone, Gloria;
Luo, Liang;
Fedin, Matvey

Publication type:

Article

Rationalization of the Superior Anticancer Activity of Phenanthriplatin: An In‐Depth Computational Exploration.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 1, p. 259, doi. 10.1002/chem.201903831

By:

Dabbish, Eslam;
Russo, Nino;
Sicilia, Emilia

Publication type:

Article

General trends in the molecular physics of azabiphenyls.

Published in:

Molecular Physics, 1983, v. 49, n. 3, p. 599, doi. 10.1080/00268978300101391

By:

Barone, Vincenzo;
Lelj, Francesco;
Cauletti, Carla;
Piancastelli, Maria Novella;
Russo, Nino

Publication type:

Article

How Can Uranium Ions (U+, U2+) Activate the O—H Bond of Water in the Gas Phase?Financial support from the Università degli Studi della Calabria and MIUR is gratefully acknowledged.

Published in:

Angewandte Chemie International Edition, 2006, v. 45, n. 7, p. 1095, doi. 10.1002/anie.200501931

By:

Maria del Carmen Michelini;
Nino Russo;
Emilia Sicilia

Publication type:

Article

Determination of spin-orbit coupling contributions in the framework of density functional theory.

Published in:

Journal of Computational Chemistry, 2008, v. 29, n. 6, p. 912, doi. 10.1002/jcc.20847

By:

Chiodo, Sandro;
Russo, Nino

Publication type:

Article

Methane activation by chromium oxide cations in the gas phase: A theoretical study.

Published in:

Journal of Computational Chemistry, 2006, v. 27, n. 2, p. 174, doi. 10.1002/jcc.20335

By:

Rivalta, Ivan;
Russo, Nino;
Sicilia, Emilia

Publication type:

Article

Energetic and topological analyses of the oxidation reaction between Mon (n = 1, 2) and N2O.

Published in:

Journal of Computational Chemistry, 2005, v. 26, n. 12, p. 1284, doi. 10.1002/jcc.20269

By:

Michelini, Maria Del Carmen;
Russo, Nino;
Alikhani, Mohammad Esmaïl;
Silvi, Bernard

Publication type:

Article

Energetic and topological analysis of the reaction of Mo and Mo2 with NH3, C2H2, and C2H4 molecules.

Published in:

Journal of Computational Chemistry, 2004, v. 25, n. 13, p. 1647, doi. 10.1002/jcc.20087

By:

Michelini, Maria Del Carmen;
Russo, Nino;
Alikhani, Mohammad Esmaïl;
Silvi, Bernard

Publication type:

Article

On the applicability of the HSAB principle through the use of improved computational schemes for chemical hardness evaluation.

Published in:

Journal of Computational Chemistry, 2004, v. 25, n. 7, p. 994

By:

Mihai V. Putz;
Nino Russo;
Emilia Sicilia

Publication type:

Article

On the interaction of Mo and Mo2 with NH3, C2H4, and C3H6.

Published in:

Journal of Computational Chemistry, 2001, v. 22, n. 13, p. 1557, doi. 10.1002/jcc.1109

By:

Lacaze-Dufaure, Corinne;
Mineva, Tzonka;
Russo, Nino

Publication type:

Article

Theoretical determination of electron affinity and ionization potential of DNA and RNA bases.

Published in:

Journal of Computational Chemistry, 2000, v. 21, n. 14, p. 1243, doi. 10.1002/1096-987X(20001115)21:14<1243::AID-JCC3>3.0.CO;2-M

By:

Russo, Nino;
Toscano, Marirosa;
Grand, André

Publication type:

Article

Protonation of thymine, cytosine, adenine, and guanine DNA nucleic acid bases: Theoretical investigation into the framework of density functional theory.

Published in:

Journal of Computational Chemistry, 1998, v. 19, n. 9, p. 989, doi. 10.1002/(SICI)1096-987X(19980715)19:9<989::AID-JCC1>3.0.CO;2-F

By:

Russo, Nino;
Toscano, Marirosa;
Grand, André;
Jolibois, Franck

Publication type:

Article

Solvation effects on reaction profiles by the polarizable continuum model coupled with the Gaussian density functional method.

Published in:

Journal of Computational Chemistry, 1998, v. 19, n. 3, p. 290, doi. 10.1002/(SICI)1096-987X(199802)19:3<290::AID-JCC3>3.0.CO;2-O

By:

Mineva, Tzonka;
Russo, Nino;
Sicilia, Emilia

Publication type:

Article

Ab initio pseudopotential study of the fluxional behavior in tetrahydroborate complexes. Many-body contributions to the energy barriers of NaBH4, AlH2BH4, and GaH2BH4.

Published in:

Journal of Computational Chemistry, 1988, v. 9, n. 5, p. 518, doi. 10.1002/jcc.540090510

By:

Barone, Vincenzo;
Minichino, Camilla;
Lelj, Francesco;
Russo, Nino

Publication type:

Article

Insights from Computations on the Mechanism of Reduction by Ascorbic Acid of PtIV Prodrugs with Asplatin and Its Chlorido and Bromido Analogues as Model Systems.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 38, p. 9572, doi. 10.1002/chem.201800488

By:

Ponte, Fortuna;
Russo, Nino;
Sicilia, Emilia

Publication type:

Article

Chemical Insights into the Antioxidant Mechanisms of Alkylseleno and Alkyltelluro Phenols: Periodic Relatives Behaving Differently.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 34, p. 8686, doi. 10.1002/chem.201800913

By:

Marino, Tiziana;
Galano, Annia;
Mazzone, Gloria;
Russo, Nino;
Alvarez‐Idaboy, Juan Raúl

Publication type:

Article

Theoretical Insights into the Switching Off/On of 1O2 Photosensitization in Chemicontrolled Photodynamic Therapy.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 14, p. 3512, doi. 10.1002/chem.201704768

By:

Pirillo, Jenny;
Mazzone, Gloria;
Russo, Nino

Publication type:

Article

Trimethylphosphate and Dimethylphosphate Hydrolysis by Binuclear CdII, MnII, and ZnII-FeII Promiscuous Organophosphate-Degrading Enzyme: Reaction Mechanisms.

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 55, p. 13742, doi. 10.1002/chem.201702379

By:

Pinto, Gaspar;
Mazzone, Gloria;
Russo, Nino;
Toscano, Marirosa

Publication type:

Article

How Can Methanol Dehydrogenase from Methylacidiphilum fumariolicum Work with the Alien CeIII Ion in the Active Center? A Theoretical Study.

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 36, p. 8652, doi. 10.1002/chem.201700381

By:

Prejanò, Mario;
Marino, Tiziana;
Russo, Nino

Publication type:

Article

Corrigendum: Synergistic Effects of Metals in a Promising RuII−PtII Assembly for a Combined Anticancer Approach: Theoretical Exploration of the Photophysical Properties.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 47, p. 16710, doi. 10.1002/chem.201604661

By:

Alberto, Marta E.;
Russo, Nino;
Adamo, Carlo

Publication type:

Article

Electro-optical Properties of Neutral and Radical Ion Thienosquaraines.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 29, p. 10179, doi. 10.1002/chem.201601281

By:

Maltese, Vito;
Cospito, Sante;
Beneduci, Amerigo;
De Simone, Bruna Clara;
Russo, Nino;
Chidichimo, Giuseppe;
Janssen, René A. J.

Publication type:

Article

Inside Cover: Synergistic Effects of Metals in a Promising RuII−PtII Assembly for a Combined Anticancer Approach: Theoretical Exploration of the Photophysical Properties (Chem. Eur. J. 27/2016).

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 27, p. 9034, doi. 10.1002/chem.201602147

By:

Alberto, Marta E.;
Russo, Nino;
Adamo, Carlo

Publication type:

Article

Synergistic Effects of Metals in a Promising RuII−PtII Assembly for a Combined Anticancer Approach: Theoretical Exploration of the Photophysical Properties.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 27, p. 9162, doi. 10.1002/chem.201601089

By:

Alberto, Marta E.;
Russo, Nino;
Adamo, Carlo

Publication type:

Article

Mechanism of Thyroxine Deiodination by Naphthyl-Based Iodothyronine Deiodinase Mimics and the Halogen Bonding Role: A DFT Investigation.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 23, p. 8554, doi. 10.1002/chem.201406466

By:

Fortino, Mariagrazia;
Marino, Tiziana;
Russo, Nino;
Sicilia, Emilia

Publication type:

Article

The Effects of the Metal Ion Substitution into the Active Site of Metalloenzymes: A Theoretical Insight on Some Selected Cases.

Published in:

Catalysts (2073-4344), 2020, v. 10, n. 9, p. 1038, doi. 10.3390/catal10091038

By:

Prejanò, Mario;
Alberto, Marta Erminia;
Russo, Nino;
Toscano, Marirosa;
Marino, Tiziana

Publication type:

Article

Triesterase and Promiscuous Diesterase Activities of a Di-CoII-Containing Organophosphate Degrading Enzyme Reaction Mechanisms.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 9, p. 3736, doi. 10.1002/chem.201405593

By:

Alberto, Marta E.;
Pinto, Gaspar;
Russo, Nino;
Toscano, Marirosa

Publication type:

Article

Hydrogen Release from Dialkylamine-Boranes Promoted by Mg and Ca Complexes: A DFT Analysis of the Reaction Mechanism.

Published in:

Chemistry - A European Journal, 2014, v. 20, n. 20, p. 5967, doi. 10.1002/chem.201304329

By:

Butera, Valeria;
Russo , Nino;
Sicilia, Emilia

Publication type:

Article

The Catalytic Mechanism of Protein Phosphatase 5 Established by DFT Calculations.

Published in:

Chemistry - A European Journal, 2013, v. 19, n. 42, p. 14081, doi. 10.1002/chem.201301565

By:

Ribeiro, António J. M.;
Alberto, Marta E.;
Ramos, Maria J.;
Fernandes, Pedro A.;
Russo, Nino

Publication type:

Article

EH3 (E=N, P, As) and H2 Activation with N-Heterocyclic Silylene and Germylene Homologues.

Published in:

Chemistry - A European Journal, 2013, v. 19, n. 24, p. 7835, doi. 10.1002/chem.201203736

By:

Alberto, Marta Erminia;
Russo, Nino;
Sicilia, Emilia

Publication type:

Article

Catalytic Mechanism of the Arylsulfatase Promiscuous Enzyme from Pseudomonas Aeruginosa.

Published in:

Chemistry - A European Journal, 2013, v. 19, n. 6, p. 2185, doi. 10.1002/chem.201201943

By:

Marino, Tiziana;
Russo, Nino;
Toscano, Marirosa

Publication type:

Article

Do Rhodium Bis(σ-amine-borane) Complexes Play a Role as Intermediates in Dehydrocoupling Reactions of Amine-boranes?

Published in:

Chemistry - A European Journal, 2011, v. 17, n. 51, p. 14586, doi. 10.1002/chem.201102365

By:

Butera, Valeria;
Russo, Nino;
Sicilia, Emilia

Publication type:

Article

Determination of the Catalytic Pathway of a Manganese Arginase Enzyme Through Density Functional Investigation.

Published in:

Chemistry - A European Journal, 2009, v. 15, n. 32, p. 8026, doi. 10.1002/chem.200802252

By:

Leopoldini, Monica;
Russo, Nino;
Toscano, Marirosa

Publication type:

Article

Combined molecular mechanics, molecular dynamics and quantum mechanical study of (+)-multifidene structure and conformation.

Published in:

Chemistry & Ecology, 2004, v. 20, n. 3, p. 157, doi. 10.1080/02757540410001690324

By:

Marino, Tiziana;
Russo, Nino;
Sicilia, Emilia

Publication type:

Article

Primary Antioxidant Power and Mpro SARS‐CoV‐2 Non‐Covalent Inhibition Capabilities of Miquelianin.

Published in:

Chemistry - An Asian Journal, 2024, v. 19, n. 8, p. 1, doi. 10.1002/asia.202400079

By:

Spiegel, Maciej;
Prejanò, Mario;
Russo, Nino;
Marino, Tiziana

Publication type:

Article

Sequestering Ability of a Synthetic Chelating Agent towards Copper(II) and Iron(III): A Detailed Theoretical and Experimental Analysis.

Published in:

Chemistry - An Asian Journal, 2020, v. 15, n. 20, p. 3266, doi. 10.1002/asia.202000717

By:

Ritacca, Alessandra G.;
Malacaria, Luana;
Algieri, Vincenzo;
De Nino, Antonio;
Russo, Nino;
Furia, Emilia;
Maiuolo, Loredana;
Sicilia, Emilia

Publication type:

Article

Electro-optical Properties of Neutral and Radical Ion Thienosquaraines.

Published in:

Chemistry - An Asian Journal, 2016, v. 6, p. 10179, doi. 10.1002/chem.201601281

By:

Maltese, Vito;
Cospito, Sante;
Beneduci, Amerigo;
De Simone, Bruna Clara;
Russo, Nino;
Chidichimo, Giuseppe;
Janssen, René A. J.

Publication type:

Article

BODIPY for photodynamic therapy applications: computational study of the effect of bromine substitution on 1O2 photosensitization.

Published in:

Journal of Molecular Modeling, 2018, v. 24, n. 7, p. 1, doi. 10.1007/s00894-018-3727-3

By:

Ponte, Fortuna;
Mazzone, Gloria;
Russo, Nino;
Sicilia, Emilia

Publication type:

Article

A DFT investigation of a bulky biomimetic model catalyzing the 5′-outer ring deiodination of thyroxine.

Published in:

Journal of Molecular Modeling, 2016, v. 22, n. 12, p. 1, doi. 10.1007/s00894-016-3154-2

By:

Fortino, Mariagrazia;
Marino, Tiziana;
Russo, Nino;
Sicilia, Emilia

Publication type:

Article

The role of quantum chemistry in the elucidation of the elementary mechanisms of catalytic processes: from atoms, to surfaces, to enzymes.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 5/6, p. 765, doi. 10.1007/s00214-006-0199-9

By:

Leopoldini, Monica;
Marino, Tiziana;
Michelini, Maria;
Rivalta, Ivan;
Russo, Nino;
Sicilia, Emilia;
Toscano, Marirosa

Publication type:

Article

Structural and Electronic Characterization of Antioxidants from Marine Organisms.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2006, v. 115, n. 5, p. 361, doi. 10.1007/s00214-006-0077-5

By:

Belcastro, Marcella;
Marino, Tiziana;
Russo, Nino;
Toscano, Marirosa

Publication type:

Article

About the Mulliken electronegativity in DFT.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2005, v. 114, n. 1-3, p. 38, doi. 10.1007/s00214-005-0641-4

By:

Putz, Mihai V.;
Russo, Nino;
Sicilia, Emilia

Publication type:

Article

Density functional computations of the energetic and spectroscopic parameters of quercetin and its radicals in the gas phase and in solvent.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 111, n. 2-6, p. 210, doi. 10.1007/s00214-003-0544-1

By:

Leopoldini, Monica;
Marino, Tiziana;
Russo, Nino;
Toscano, Marirosa

Publication type:

Article

Comprehensive Experimental and Computational Analysis of the Structural and HSA Binding Properties of Newly Synthesized Coumarin-Trimethoxybenzohydrazide Derivative.

Published in:

Polycyclic Aromatic Compounds, 2024, v. 44, n. 10, p. 7006, doi. 10.1080/10406638.2024.2339846

By:

Antonijević, Marko R.;
Avdović, Edina H.;
Simijonović, Dušica;
Milanović, Žiko;
Klisurić, Olivera R.;
Alberto, Marta Erminia;
Russo, Nino;
Vojinović, Radiša;
Marković, Zoran S.

Publication type:

Article

On the Mechanism of the Lysosomal Enzyme Iduronate‐2‐sulfatase. A Multiscale Approach.

Published in:

ChemCatChem, 2024, v. 16, n. 16, p. 1, doi. 10.1002/cctc.202400313

By:

Prejanò, Mario;
Romeo, Isabella;
Talerico, Cristina;
Parise, Angela;
Russo, Nino;
Marino, Tiziana

Publication type:

Article

Explicit Water Molecules Play a Key Role in the Mechanism of Rhodium-Substituted Human Carbonic Anhydrase.

Published in:

ChemCatChem, 2017, v. 9, n. 6, p. 1047, doi. 10.1002/cctc.201601433

By:

Piazzetta, Paolo;
Marino, Tiziana;
Russo, Nino;
Salahub, Dennis R.

Publication type:

Article

Density Functional Determination of the Energetics of the Formation of trans-Stilbene Catalyzed by Sulfenate Anions.

Published in:

ChemCatChem, 2017, v. 9, n. 2, p. 278, doi. 10.1002/cctc.201601195

By:

De Raffele, Daria;
Piazzetta, Paolo;
Russo, Nino;
Toscano, Marirosa;
Adamo, Carlo

Publication type:

Article

Computational Insight on CO2 Fixation to Produce Styrene Carbonate Assisted by a Single-Center Aluminum(III) Catalyst and Quaternary Ammonium Salts.

Published in:

ChemCatChem, 2016, v. 8, n. 6, p. 1167, doi. 10.1002/cctc.201501272

By:

Butera, Valeria;
Russo, Nino;
CosENtino, Ugo;
Greco, Claudio;
Moro, Giorgio;
Pitea, Demetrio;
Sicilia, Emilia

Publication type:

Article

Computational Investigation on the Mechanism of Amide Bond Formation by using Phosphine-Based Redox Catalysis.

Published in:

ChemCatChem, 2015, v. 7, n. 15, p. 2309, doi. 10.1002/cctc.201500209

By:

Di Santo, Emanuela;
Alberto, Marta E.;
Russo, Nino;
Toscano, Marirosa

Publication type:

Article