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Mariana Zancan Tonel
Mariana Zancan Tonel
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Density functional theory study of π-aromatic interaction of benzene, phenol, catechol, dopamine isolated dimers and adsorbed on graphene surface
EE de Moraes, MZ Tonel, SB Fagan, MC Barbosa
Journal of molecular modeling 25 (10), 302, 2019
512019
Influence of magnetite incorporation into chitosan on the adsorption of the methotrexate and in vitro cytotoxicity
FS Bruckmann, A Rossato Viana, MZ Tonel, SB Fagan, WJS Garcia, ...
Environmental Science and Pollution Research 29 (46), 70413-70434, 2022
292022
A first-principles study of the interaction of doxorubicin with graphene
MZ Tonel, MO Martins, I Zanella, RB Pontes, SB Fagan
Computational and Theoretical Chemistry 1115, 270-275, 2017
292017
Interactions of graphene derivatives with glutamate-neurotransmitter: a parallel first principles-docking investigation
MZ Tonel, M González-Durruthy, I Zanella, SB Fagan
Journal of Molecular Graphics and Modelling 88, 121-127, 2019
182019
The influence of the concentration and adsorption sites of different chemical groups on graphene through first principles simulations
MZ Tonel, IV Lara, I Zanella, SB Fagan
Physical Chemistry Chemical Physics 19 (40), 27374-27383, 2017
162017
Highly furosemide uptake employing magnetic graphene oxide: DFT modeling combined to experimental approach
GO Vargas, C Schnorr, FB Nunes, T da Rosa Salles, MZ Tonel, SB Fagan, ...
Journal of Molecular Liquids 379, 121652, 2023
122023
Cytoprotection of lipoic acid against toxicity induced by saxitoxin in hippocampal cell line HT-22 through in silico modeling and in vitro assays
P Ramos, M Schmitz, S Gama, A Portantiolo, MG Durruthy, ...
Toxicology 393, 171-184, 2018
122018
Atomistic model derived from ab initio calculations tested in Benzene–Benzene interaction potential
EE de Moraes, MZ Tonel, SB Fagan, MC Barbosa
Physica A: Statistical Mechanics and its Applications 537, 122679, 2020
92020
Theoretical study of small aromatic molecules adsorbed in pristine and functionalised graphene
MZ Tonel, I Zanella, SB Fagan
Journal of Molecular Modeling 27 (6), 193, 2021
82021
Interaction of single‐walled carbon nanotubes and saxitoxin: Ab initio simulations and biological responses in hippocampal cell line HT‐22
P Ramos, M Schmitz, D Filgueira, AP Votto, M Durruthy, M Gelesky, ...
Environmental toxicology and chemistry 36 (7), 1728-1737, 2017
82017
Graphene oxide and flavonoids as potential inhibitors of the spike protein of SARS-CoV-2 variants and interaction between ligands: A parallel study of molecular docking and DFT
JV Schultz, MZ Tonel, MO Martins, SB Fagan
Structural Chemistry 34 (5), 1857-1867, 2023
42023
A novel and green extraction strategy for sensitive determination of phthalates in aqueous samples: Analytical and computational studies
SS Saini, SB Fagan, MZ Tonel
Microchemical Journal 166, 106227, 2021
22021
Molecules with biological interest adsorbed on carbon nanostructures
MZ Tonel, VM de Menezes, I Zanella, SB Fagan
Carbon Nanomaterials as Adsorbents for Environmental and Biological …, 2015
22015
Adsorção física do fulereno com o 5-Fluoruoracil: um estudo teórico
L Goulart, MZ Tonel, J Rossato
Disciplinarum Scientia| Naturais e Tecnológicas 16 (2), 161-168, 2015
22015
Ab initio study of water anchored in graphene pristine and vacancy-type defects
MZ Tonel, JPK Abal, SB Fagan, MC Barbosa
Journal of Molecular Modeling 29 (7), 198, 2023
12023
Adsorção de doxorrubicina em grafeno: um estudo de primeiros princípios
MZ Tonel
12013
Estudo ab initio das propriedades estruturais eletrônicas e magnéticas do grafeno carboxilado
MZ Tonel, J Rossato, SB Fagan, I Zanella
Disciplinarum Scientia| Naturais e Tecnológicas 14 (1), 131-137, 2013
12013
Adsorção de doxorrubicina em grafeno: um estudo de primeiros princípios
MZ Tonel
12013
Density functional theory study of the interaction between the surface of graphene and M-phthalocyanines (M= Fe, Cu or Mn)
SC Schwarz, MZ Tonel, I Zanella, SB Fagan
Structural Chemistry 35 (1), 181-190, 2024
2024
Evaluation interaction of graphene oxide with heparin for antiviral blockade: a study of ab initio simulations, molecular docking, and experimental analysis
AF Dos Santos, MO Martins, J Lameira, J de Oliveira Araújo, MS Frizzo, ...
Journal of Molecular Modeling 29 (8), 235, 2023
2023
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