T
Tiziana Marino
Researcher at University of Calabria
Publications - 171
Citations - 4098
Tiziana Marino is an academic researcher from University of Calabria. The author has contributed to research in topics: Density functional theory & Catalysis. The author has an hindex of 30, co-authored 161 publications receiving 3356 citations. Previous affiliations of Tiziana Marino include Royal Institute of Technology.
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Antioxidant Properties of Phenolic Compounds: H-Atom versus Electron Transfer Mechanism
TL;DR: In this paper, the authors performed density functional theory (DFT) calculations to evaluate the antioxidant activity of molecules commonly present in many Mediterranean foods, including tyrosol, hydroxytyrosol and gallic acids.
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Food Antioxidants: Chemical Insights at the Molecular Level
Annia Galano,Gloria Mazzone,Ruslan Álvarez-Diduk,Tiziana Marino,J. Raúl Alvarez-Idaboy,Nino Russo +5 more
TL;DR: Comparisons between theoretical and experimental data confirm that modern theoretical tools are not only able to explain controversial experimental facts but also to predict chemical behavior.
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Density functional computations of the energetic and spectroscopic parameters of quercetin and its radicals in the gas phase and in solvent
TL;DR: In this article, the B3LYP density functional level of quercetin and its radicals were investigated at the B 3LYP functional level with the aim of determining the energetic and spectroscopic parameters and the factors that influence their antioxidant activity in the gas phase and in aqueous solution.
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Radical Scavenging Ability of Gallic Acid toward OH and OOH Radicals. Reaction Mechanism and Rate Constants from the Density Functional Theory
TL;DR: It was found that gallic acid is a better antioxidant than the reference compound, Trolox, regardless of the polarity of the environment, and it is predicted to be among the best peroxyl radical scavengers identified so far in nonpolar (lipid) media.
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Interaction of cysteine with Cu2+ and group IIb (Zn2+, Cd2+, Hg2+) metal cations: a theoretical study.
TL;DR: The structure and energetics of complexes obtained upon interaction between cysteine and Zn2+, Cd2+, Hg2+ and Cu2+ cations were studied using quantum chemical density functional theory calculations with the 6-311++G** orbital basis set and relativistic pseudopotentials for the cations.