Works by Prejanò, Mario

Results: 31

Degradation of Penicillinic Antibiotics and β‐Lactamase Enzymatic Catalysis in a Biomimetic Zn‐Based Metal–Organic Framework.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 51, p. 1, doi. 10.1002/chem.202301325

By:

Escamilla, Paula;
Bartella, Lucia;
Sanz‐Navarro, Sergio;
Percoco, Rita Maria;
Di Donna, Leonardo;
Prejanò, Mario;
Marino, Tiziana;
Ferrando‐Soria, Jesús;
Armentano, Donatella;
Leyva‐Pérez, Antonio;
Pardo, Emilio

Publication type:

Article

Front Cover: Degradation of Penicillinic Antibiotics and β‐Lactamase Enzymatic Catalysis in a Biomimetic Zn‐Based Metal–Organic Framework (Chem. Eur. J. 51/2023).

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 51, p. 1, doi. 10.1002/chem.202302314

By:

Escamilla, Paula;
Bartella, Lucia;
Sanz‐Navarro, Sergio;
Percoco, Rita Maria;
Di Donna, Leonardo;
Prejanò, Mario;
Marino, Tiziana;
Ferrando‐Soria, Jesús;
Armentano, Donatella;
Leyva‐Pérez, Antonio;
Pardo, Emilio

Publication type:

Article

Degradation of Penicillinic Antibiotics and β‐Lactamase Enzymatic Catalysis in a Biomimetic Zn‐Based Metal–Organic Framework.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 51, p. 1, doi. 10.1002/chem.202301325

By:

Escamilla, Paula;
Bartella, Lucia;
Sanz‐Navarro, Sergio;
Percoco, Rita Maria;
Di Donna, Leonardo;
Prejanò, Mario;
Marino, Tiziana;
Ferrando‐Soria, Jesús;
Armentano, Donatella;
Leyva‐Pérez, Antonio;
Pardo, Emilio

Publication type:

Article

Heavy atom effect through chalcogen substitution in Red Nile dye: a theoretical investigation.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 10, p. 1, doi. 10.1007/s00214-023-03050-4

By:

Alberto, Marta E.;
Prejanò, Mario;
Marino, Tiziana;
De Simone, Bruna C.;
Toscano, Marirosa;
Russo, Nino

Publication type:

Article

Quantum mechanical DFT elucidation of CO2 catalytic conversion mechanisms: Three examples.

Published in:

International Journal of Quantum Chemistry, 2018, v. 118, n. 9, p. 1, doi. 10.1002/qua.25572

By:

Mazzone, Gloria;
Marino, Tiziana;
Piazzetta, Paolo;
Ponte, Fortuna;
Prejanò, Mario;
Sicilia, Emilia;
Toscano, Marirosa

Publication type:

Article

Sulphur- and Selenium-for-Oxygen Replacement as a Strategy to Obtain Dual Type I/Type II Photosensitizers for Photodynamic Therapy.

Published in:

Molecules, 2023, v. 28, n. 7, p. 3153, doi. 10.3390/molecules28073153

By:

Prejanò, Mario;
Alberto, Marta Erminia;
De Simone, Bruna Clara;
Marino, Tiziana;
Toscano, Marirosa;
Russo, Nino

Publication type:

Article

Effect of Copper on the Mitochondrial Carnitine/Acylcarnitine Carrier Via Interaction with Cys136 and Cys155. Possible Implications in Pathophysiology.

Published in:

Molecules, 2020, v. 25, n. 4, p. 820, doi. 10.3390/molecules25040820

By:

Giangregorio, Nicola;
Tonazzi, Annamaria;
Console, Lara;
Prejanò, Mario;
Marino, Tiziana;
Russo, Nino;
Indiveri, Cesare

Publication type:

Article

Antioxidant Properties of the Vam3 Derivative of Resveratrol.

Published in:

Molecules, 2018, v. 23, n. 10, p. 2446, doi. 10.3390/molecules23102446

By:

Ahmadi, Seyedmohammad;
Marino, Tiziana;
Prejanò, Mario;
Russo, Nino;
Toscano, Marirosa;
Cardoso, Susana M.

Publication type:

Article

Evaluating Quinolines: Molecular Dynamics Approach to Assess Their Potential as Acetylcholinesterase Inhibitors for Alzheimer's Disease.

Published in:

ChemPhysChem, 2025, v. 26, n. 1, p. 1, doi. 10.1002/cphc.202400653

By:

Prejanò, Mario;
Romeo, Isabella;
Felipe Hernández‐Ayala, Luis;
Gabriel Guzmán‐López, Eduardo;
Alcaro, Stefano;
Galano, Annia;
Marino, Tiziana

Publication type:

Article

Exploring the Structure–Performance Relationship of Sulfonated Polysulfone Proton Exchange Membrane by a Combined Computational and Experimental Approach.

Published in:

Polymers (20734360), 2021, v. 13, n. 6, p. 959, doi. 10.3390/polym13060959

By:

Simari, Cataldo;
Prejanò, Mario;
Lufrano, Ernestino;
Sicilia, Emilia;
Nicotera, Isabella;
Jeon, Jong Yeob

Publication type:

Article

The Catalytic Mechanism of Human Transketolase.

Published in:

ChemPhysChem, 2019, v. 20, n. 21, p. 2881, doi. 10.1002/cphc.201900650

By:

Prejanò, Mario;
Medina, Fabiola Estefany;
Fernandes, Pedro Alexandrino;
Russo, Nino;
Ramos, Maria Joao;
Marino, Tiziana

Publication type:

Article

Lanthanides Gd and Tm Can Inhibit Carnitine/Acylcarnitine Transporter: Insights from All‐Atoms Simulations.

Published in:

ChemBioChem, 2025, v. 26, n. 8, p. 1, doi. 10.1002/cbic.202401018

By:

Prejanò, Mario;
Tonazzi, Annamaria;
Giangregorio, Nicola;
Indiveri, Cesare;
Marino, Tiziana

Publication type:

Article

On the Role of Temperature in the Depolymerization of PET by FAST‐PETase: An Atomistic Point of View on Possible Active Site Pre‐Organization and Substrate‐Destabilization Effects.

Published in:

ChemBioChem, 2023, v. 24, n. 20, p. 1, doi. 10.1002/cbic.202300412

By:

Orlando, Carla;
Prejanò, Mario;
Russo, Nino;
Marino, Tiziana

Publication type:

Article

Structural Characterization of Peripolin and Study of Antioxidant Activity of HMG Flavonoids from Bergamot Fruit.

Published in:

Antioxidants, 2022, v. 11, n. 10, p. N.PAG, doi. 10.3390/antiox11101847

By:

Bartella, Lucia;
Mazzotti, Fabio;
Talarico, Ines Rosita;
De Luca, Giuseppina;
Santoro, Ilaria;
Prejanò, Mario;
Riccioni, Costanza;
Marino, Tiziana;
Di Donna, Leonardo

Publication type:

Article

On the Scavenging Ability of Scutellarein against the OOH Radical in Water and Lipid-like Environments: A Theoretical Study.

Published in:

Antioxidants, 2022, v. 11, n. 2, p. 224, doi. 10.3390/antiox11020224

By:

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

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

Can fused thiophene–pyrrole-containing rings act as possible new electrochromic dyes? A computational prediction.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 10, p. 1, doi. 10.1007/s00214-016-1994-6

By:

De Simone, Bruna Clara;
Marino, Tiziana;
Prejanò, Mario;
Russo, Nino

Publication type:

Article

Digital Photoinduced Topographical Microsculpting of Hydrogels.

Published in:

Advanced Materials Technologies, 2024, v. 9, n. 23, p. 1, doi. 10.1002/admt.202400721

By:

Bril, Maaike;
D'Urso, Mirko;
Prejanò, Mario;
Costantini, Matteo;
Angeloni, Livia;
Kurniawan, Nicholas A.

Publication type:

Article

Incorporation of N7 -Platinated Guanines into Thermus Aquaticus (Taq) DNA Polymerase: Atomistic Insights from Molecular Dynamics Simulations.

Published in:

International Journal of Molecular Sciences, 2023, v. 24, n. 12, p. 9849, doi. 10.3390/ijms24129849

By:

De Castro, Federica;
Ciardullo, Giada;
Fanizzi, Francesco Paolo;
Prejanò, Mario;
Benedetti, Michele;
Marino, Tiziana

Publication type:

Article

On the Catalytic Activity of the Engineered Coiled-Coil Heptamer Mimicking the Hydrolase Enzymes: Insights from a Computational Study.

Published in:

International Journal of Molecular Sciences, 2020, v. 21, n. 12, p. 4551, doi. 10.3390/ijms21124551

By:

Prejanò, Mario;
Romeo, Isabella;
Russo, Nino;
Marino, Tiziana

Publication type:

Article

Capsaicin, a Powerful • OH-Inactivating Ligand.

Published in:

Antioxidants, 2020, v. 9, n. 12, p. 1247, doi. 10.3390/antiox9121247

By:

Pérez-González, Adriana;
Prejanò, Mario;
Russo, Nino;
Marino, Tiziana;
Galano, Annia

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

Publisher Correction: Hydrolase–like catalysis and structural resolution of natural products by a metal–organic framework.

Published in:

2020

By:

Mon, Marta;
Bruno, Rosaria;
Sanz-Navarro, Sergio;
Negro, Cristina;
Ferrando-Soria, Jesús;
Bartella, Lucia;
Di Donna, Leonardo;
Prejanò, Mario;
Marino, Tiziana;
Leyva-Pérez, Antonio;
Armentano, Donatella;
Pardo, Emilio

Publication type:

Correction Notice

Hydrolase–like catalysis and structural resolution of natural products by a metal–organic framework.

Published in:

Nature Communications, 2020, v. 11, n. 1, p. 1, doi. 10.1038/s41467-020-16699-3

By:

Mon, Marta;
Bruno, Rosaria;
Sanz-Navarro, Sergio;
Negro, Cristina;
Ferrando-Soria, Jesús;
Bartella, Lucia;
Di Donna, Leonardo;
Prejanò, Mario;
Marino, Tiziana;
Leyva-Pérez, Antonio;
Armentano, Donatella;
Pardo, Emilio

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

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

Computational Study of Mechanism and Enantioselectivity of Imine Reductase from Amycolatopsis orientalis.

Published in:

ChemistryOpen, 2022, v. 11, n. 1, p. 1, doi. 10.1002/open.202100250

By:

Prejanò, Mario;
Sheng, Xiang;
Himo, Fahmi

Publication type:

Article

Dehydrogenation of Formic Acid to CO 2 and H 2 by Manganese(I)–Complex: Theoretical Insights for Green and Sustainable Route.

Published in:

Catalysts (2073-4344), 2021, v. 11, n. 1, p. 141, doi. 10.3390/catal11010141

By:

Marino, Tiziana;
Prejanò, Mario

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

P−F Bond Activation of Organophosphates by [(iPrPNHP)Mn(CO)2]+.

Published in:

European Journal of Inorganic Chemistry, 2024, v. 27, n. 34, p. 1, doi. 10.1002/ejic.202400308

By:

Prejanò, Mario;
Toscano, Marirosa;
Marino, Tiziana

Publication type:

Article

On the antibacterial photodynamic inactivation mechanism of Emodin and Dermocybin natural photosensitizers: A theoretical investigation.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 15, p. 1254, doi. 10.1002/jcc.27326

By:

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

Publication type:

Article

Works by Prejanò, Mario

Degradation of Penicillinic Antibiotics and β‐Lactamase Enzymatic Catalysis in a Biomimetic Zn‐Based Metal–Organic Framework.

Front Cover: Degradation of Penicillinic Antibiotics and β‐Lactamase Enzymatic Catalysis in a Biomimetic Zn‐Based Metal–Organic Framework (Chem. Eur. J. 51/2023).

Degradation of Penicillinic Antibiotics and β‐Lactamase Enzymatic Catalysis in a Biomimetic Zn‐Based Metal–Organic Framework.

Heavy atom effect through chalcogen substitution in Red Nile dye: a theoretical investigation.

Quantum mechanical DFT elucidation of CO<sub>2</sub> catalytic conversion mechanisms: Three examples.

Sulphur- and Selenium-for-Oxygen Replacement as a Strategy to Obtain Dual Type I/Type II Photosensitizers for Photodynamic Therapy.

Effect of Copper on the Mitochondrial Carnitine/Acylcarnitine Carrier Via Interaction with Cys136 and Cys155. Possible Implications in Pathophysiology.

Antioxidant Properties of the Vam3 Derivative of Resveratrol.

Evaluating Quinolines: Molecular Dynamics Approach to Assess Their Potential as Acetylcholinesterase Inhibitors for Alzheimer's Disease.

Exploring the Structure–Performance Relationship of Sulfonated Polysulfone Proton Exchange Membrane by a Combined Computational and Experimental Approach.

The Catalytic Mechanism of Human Transketolase.

Lanthanides Gd and Tm Can Inhibit Carnitine/Acylcarnitine Transporter: Insights from All‐Atoms Simulations.

On the Role of Temperature in the Depolymerization of PET by FAST‐PETase: An Atomistic Point of View on Possible Active Site Pre‐Organization and Substrate‐Destabilization Effects.

Structural Characterization of Peripolin and Study of Antioxidant Activity of HMG Flavonoids from Bergamot Fruit.

On the Scavenging Ability of Scutellarein against the OOH Radical in Water and Lipid-like Environments: A Theoretical Study.

Primary Antioxidant Power and M<sup>pro</sup> SARS‐CoV‐2 Non‐Covalent Inhibition Capabilities of Miquelianin.

Can fused thiophene–pyrrole-containing rings act as possible new electrochromic dyes? A computational prediction.

Digital Photoinduced Topographical Microsculpting of Hydrogels.

Incorporation of N7 -Platinated Guanines into Thermus Aquaticus (Taq) DNA Polymerase: Atomistic Insights from Molecular Dynamics Simulations.

On the Catalytic Activity of the Engineered Coiled-Coil Heptamer Mimicking the Hydrolase Enzymes: Insights from a Computational Study.

Capsaicin, a Powerful • OH-Inactivating Ligand.

How Can Methanol Dehydrogenase from Methylacidiphilum fumariolicum Work with the Alien Ce<sup>III</sup> Ion in the Active Center? A Theoretical Study.

Publisher Correction: Hydrolase–like catalysis and structural resolution of natural products by a metal–organic framework.

Hydrolase–like catalysis and structural resolution of natural products by a metal–organic framework.

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

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

Computational Study of Mechanism and Enantioselectivity of Imine Reductase from Amycolatopsis orientalis.

Dehydrogenation of Formic Acid to CO 2 and H 2 by Manganese(I)–Complex: Theoretical Insights for Green and Sustainable Route.

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

P−F Bond Activation of Organophosphates by [(<sup>iPr</sup>PN<sup>H</sup>P)Mn(CO)<sub>2</sub>]<sup>+</sup>.

On the antibacterial photodynamic inactivation mechanism of Emodin and Dermocybin natural photosensitizers: A theoretical investigation.