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- Publications
- Influence
Food Antioxidants: Chemical Insights at the Molecular Level.
- A. Galano, G. Mazzone, Ruslán Álvarez-Diduk, Tiziana Marino, J. R. Álvarez-Idaboy, N. Russo
- Chemistry, Medicine
- Annual review of food science and technology
- 2 March 2016
In this review, we briefly summarize the reliability of the density functional theory (DFT)-based methods to accurately predict the main antioxidant properties and the reaction mechanisms involved in… Expand
Reaction Mechanism of Low-Spin Iron(III)- and Cobalt(III)-Containing Nitrile Hydratases: A Quantum Mechanics Investigation.
- Mario Prejanò, Tiziana Marino, C. Rizzuto, Josè Carlos Madrid Madrid, N. Russo, M. Toscano
- Chemistry, Medicine
- Inorganic chemistry
- 23 October 2017
To elucidate the catalytic mechanism of cobalt(III)-benzonitrile and iron(III)--pivalonitrile hydratases, we have performed at density functional level a study using the cluster model approach.… Expand
Effect of steam-pretreatment combined with hydrogen peroxide on lignocellulosic agricultural wastes for bioethanol production: Analysis of derived sugars and other by-products
- A. Verardi, A. Blasi, Tiziana Marino, A. Molino, V. Calabrò
- Chemistry
- 14 November 2017
Abstract The hydrogen peroxide, a green impregnating agent suitable for lignocellulosic biomass to bioethanol process, was used to pretreat sugarcane bagasse by steam explosion. Two different… Expand
Insight on the chelation of aluminum(III) and iron(III) by curcumin in aqueous solution
- A. Beneduci, G. Corrente, +7 authors E. Furia
- Chemistry
- 15 December 2019
Abstract In this work we have studied the complexation of curcumin (HCur, 1,7-bis-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione) with Al(III) and Fe(III) at 37 °C and in 0.16 M NaCl. The… Expand
How the lanthanide ions affect the addition-elimination step of methanol dehydrogenases.
- Mario Prejanò, N. Russo, Tiziana Marino
- Chemistry, Medicine
- Chemistry
- 5 May 2020
The widespread XoxF, a recently discovered methanol dehydrogenase enzyme used by methylotrophic bacteria to oxidize methanol for carbon and energy, requires lanthanide ions for its activity. This… Expand
The role of metal substitution in the promiscuity of natural and artificial carbonic anhydrases
- P. Piazzetta, Tiziana Marino, N. Russo, D. Salahub
- Chemistry
- 15 August 2017
Abstract Quantum mechanical cluster model and quantum mechanical/molecular mechanical (QM/MM) calculations have been performed on series of natural and artificial carbonic anhydrases. Insight is… Expand
Scenedesmus almeriensis solutions dewatering by using PVDF membrane
- Tiziana Marino, A. Figoli, +4 authors A. Molino
- Chemistry
- 2019
- 5
The Antioxidant Capability of Higenamine: Insights from Theory
- I. Romeo, Angela Parise, A. Galano, N. Russo, J. R. Álvarez-Idaboy, Tiziana Marino
- Chemistry, Medicine
- Antioxidants
- 25 April 2020
Density functional theory was employed to highlight the antioxidant working mechanism of higenamine in aqueous and lipid-like environments. Different reaction mechanisms were considered for the… Expand
How the Destabilization of a Reaction Intermediate Affects Enzymatic Efficiency: The Case of Human Transketolase
- Mario Prejanò, Fabiola E. Medina, M. J. Ramos, N. Russo, P. Fernandes, Tiziana Marino
- Chemistry
- 7 February 2020
Atomic resolution X-ray crystallography has shown that an intermediate (the X5P-ThDP adduct) of the catalytic cycle of transketolase (TK) displays a significant, putatively highly energetic, out-of...
Iodine substituted phosphorus corrole complexes as possible photosensitizers in photodynamic therapy: Insights from theory
- M. E. Alberto, B. D. Simone, Simona Liuzzi, Tiziana Marino, N. Russo, M. Toscano
- Materials Science, Medicine
- J. Comput. Chem.
- 27 February 2020
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