Fagan SB - Search Results

1

Influence of magnetite incorporation into chitosan on the adsorption of the methotrexate and in vitro cytotoxicity.

Bruckmann FDS, Rossato Viana A, Tonel MZ, Fagan SB, Garcia WJDS, Oliveira AH, Dorneles LS, Roberto Mortari S, Silva WLD, Silva IZD, Rhoden CRB. Bruckmann FDS, et al. Among authors: fagan sb. Environ Sci Pollut Res Int. 2022 Oct;29(46):70413-70434. doi: 10.1007/s11356-022-20786-x. Epub 2022 May 19. Environ Sci Pollut Res Int. 2022. PMID: 35585459

2

Interaction of single-walled carbon nanotubes and saxitoxin: Ab initio simulations and biological responses in hippocampal cell line HT-22.

Ramos P, Schmitz M, Filgueira D, Votto AP, Durruthy M, Gelesky M, Ruas C, Yunes J, Tonel M, Fagan S, Monserrat J. Ramos P, et al. Environ Toxicol Chem. 2017 Jul;36(7):1728-1737. doi: 10.1002/etc.3544. Epub 2016 Aug 12. Environ Toxicol Chem. 2017. PMID: 27371805

3

The influence of the concentration and adsorption sites of different chemical groups on graphene through first principles simulations.

Tonel MZ, Lara IV, Zanella I, Fagan SB. Tonel MZ, et al. Among authors: fagan sb. Phys Chem Chem Phys. 2017 Oct 18;19(40):27374-27383. doi: 10.1039/c7cp05549h. Phys Chem Chem Phys. 2017. PMID: 28972620

4

Cytoprotection of lipoic acid against toxicity induced by saxitoxin in hippocampal cell line HT-22 through in silico modeling and in vitro assays.

Ramos P, Schmitz M, Gama S, Portantiolo A, Durruthy MG, de Souza Votto AP, Cornetet LR, Dos Santos Machado K, Werhli A, Tonel MZ, Fagan SB, Yunes JS, Monserrat JM. Ramos P, et al. Among authors: fagan sb. Toxicology. 2018 Jan 15;393:171-184. doi: 10.1016/j.tox.2017.11.004. Epub 2017 Nov 8. Toxicology. 2018. PMID: 29128272

5

Interactions of graphene derivatives with glutamate-neurotransmitter: A parallel first principles - Docking investigation.

Tonel MZ, González-Durruthy M, Zanella I, Fagan SB. Tonel MZ, et al. Among authors: fagan sb. J Mol Graph Model. 2019 May;88:121-127. doi: 10.1016/j.jmgm.2019.01.007. Epub 2019 Jan 22. J Mol Graph Model. 2019. PMID: 30703687

6

Density functional theory study of π-aromatic interaction of benzene, phenol, catechol, dopamine isolated dimers and adsorbed on graphene surface.

de Moraes EE, Tonel MZ, Fagan SB, Barbosa MC. de Moraes EE, et al. Among authors: fagan sb. J Mol Model. 2019 Sep 5;25(10):302. doi: 10.1007/s00894-019-4185-2. J Mol Model. 2019. PMID: 31486895

7

Theoretical study of small aromatic molecules adsorbed in pristine and functionalised graphene.

Tonel MZ, Zanella I, Fagan SB. Tonel MZ, et al. Among authors: fagan sb. J Mol Model. 2021 May 31;27(6):193. doi: 10.1007/s00894-021-04806-0. J Mol Model. 2021. PMID: 34057615

8

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.

Schultz JV, Tonel MZ, Martins MO, Fagan SB. Schultz JV, et al. Among authors: fagan sb. Struct Chem. 2023 Jan 27:1-11. doi: 10.1007/s11224-023-02135-x. Online ahead of print. Struct Chem. 2023. PMID: 36721714 Free PMC article.

9

Comparison of three cyclodextrins to optimize bisphenol A extraction from source water: Computational, spectroscopic, and analytical studies.

Saini SS, Copello GJ, Fagan SB, Tonel MZ. Saini SS, et al. Among authors: fagan sb. J Sep Sci. 2023 Apr;46(8):e2300012. doi: 10.1002/jssc.202300012. Epub 2023 Mar 1. J Sep Sci. 2023. PMID: 36807516

10

Ab initio study of water anchored in graphene pristine and vacancy-type defects.

Tonel MZ, Abal JPK, Fagan SB, Barbosa MC. Tonel MZ, et al. Among authors: fagan sb. J Mol Model. 2023 Jun 3;29(7):198. doi: 10.1007/s00894-023-05611-7. J Mol Model. 2023. PMID: 37268861

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