Study of furfural derivatives as a possible green corrosion inhibitor for mild steel in CO2-saturated formation water
da Cunha, Jéssica Nogueira, Evangelista, Brenno Danho Veras, Xavier, Amanda Vieira, da Silva, Talis Uelisson, de Oliveira, Sanair Massafra, de Araújo, Joyce Rodrigues, Archanjo, Bráulio Soares, de Paula Machado, Sérgio, Rezende, Michelle Jakeline Cunha, das Chagas Almeida, Tatiana, Mattos, Oscar Rosa, D’Elia, Eliane
Published in Corrosion science (01.03.2023)
Published in Corrosion science (01.03.2023)
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Journal Article
Molecular modeling of [VO(L 1-4 )(R)] complexes (R = bipyridine, phenanthroline): DFT study of antioxidant activity, DNA binding and evaluation of electron-donating and -withdrawing substituent groups
Silva, Talis Uelisson da, Silva, Everton Tomaz da, Lima, Camilo Henrique da Silva, Machado, Sérgio de Paula
Published in Journal of molecular graphics & modelling (01.11.2023)
Published in Journal of molecular graphics & modelling (01.11.2023)
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Journal Article
DFT calculations of copper complexes mimicking superoxide dismutase and docking studies and molecular dynamics of the transition metal complex binding to serum albumin
Silva, Talis Uelisson da, Silva, Everton Tomaz, Albuquerque, Magaly Girão, Lima, Camilo Henrique da Silva, Machado, Sérgio de Paula
Published in Journal of biomolecular structure & dynamics (27.09.2023)
Published in Journal of biomolecular structure & dynamics (27.09.2023)
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Journal Article
Thiohydantoins as Potential Antioxidant Agents: In vitro and in silico evaluation
Camargo, Priscila Goes, Fabris, Marcieli, Silva, Talis Uelisson, Silva Lima, Camilo Henrique, Paula Machado, Sérgio, Tonin, Lilian Tatiani Dusman, Lima Ferreira Bispo, Marcelle, Macedo, Fernando
Published in ChemistrySelect (Weinheim) (13.10.2021)
Published in ChemistrySelect (Weinheim) (13.10.2021)
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Journal Article
Molecular modeling of indazole-3-carboxylic acid and its metal complexes (Zn, Ni, Co, Fe and Mn) as NO synthase inhibitors: DFT calculations, docking studies and molecular dynamics simulations
Uelisson da Silva, Talis, Tomaz da Silva, Everton, de Carvalho Pougy, Karina, Henrique da Silva Lima, Camilo, de Paula Machado, Sérgio
Published in Inorganic chemistry communications (01.01.2022)
Published in Inorganic chemistry communications (01.01.2022)
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Journal Article
Effects of the aldehyde-derived ring substituent on the properties of two new bioinspired trimethoxybenzoylhydrazones: methyl vs nitro groups
Martins, Dayanne, Lamosa, Roberta, da Silva, Talis Uelisson, Ligiero, Carolina B P, de Paula Machado, Sérgio, Cukierman, Daphne S, Rey, Nicolás A
Published in Beilstein journal of organic chemistry (01.01.2023)
Published in Beilstein journal of organic chemistry (01.01.2023)
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Journal Article
Ziziphus joazeiro Stem Bark Extract as a Green Corrosion Inhibitor for Mild Steel in Acid Medium
Mauro, Aparecida Cristina, Ribeiro, Bernardo Dias, Garrett, Rafael, Borges, Ricardo Moreira, da Silva, Talis Uelisson, de Paula Machado, Sérgio, de Araujo, Joyce Rodrigues, de Oliveira Massafra, Sanair, de Oliveira Junior, Francisco Odencio Rodrigues, D’Elia, Eliane
Published in Processes (01.08.2021)
Published in Processes (01.08.2021)
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Journal Article
Development of parameters compatible with the CHARMM36 force field for [Fe4S4]2+ clusters and molecular dynamics simulations of adenosine-5'-phosphosulfate reductase in GROMACS 2019
da Silva, Talis Uelisson, Pougy, Karina de Carvalho, Albuquerque, Magaly Girão, da Silva Lima, Camilo Henrique, Machado, Sérgio de Paula
Published in Journal of biomolecular structure & dynamics (24.05.2022)
Published in Journal of biomolecular structure & dynamics (24.05.2022)
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Journal Article
Electronic investigation of the effect of substituents on the SOD mimic activity of copper (II) complexes with 8-hydroxyquinoline-derived ligands
da Silva, Talis Uelisson, Pougy, Karina de Carvalho, da Silva, Everton Tomaz, Lima, Camilo Henrique da Silva, Machado, Sérgio de Paula
Published in Journal of inorganic biochemistry (01.04.2021)
Published in Journal of inorganic biochemistry (01.04.2021)
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Journal Article
Molecular dynamics simulations of aqueous systems of inhibitor candidates for adenosine-5'-phosphosufate reductase
da Silva, Talis Uelisson, Pougy, Karina de Carvalho, Albuquerque, Magaly Girão, Lima, Camilo Henrique da Silva, Machado, Sérgio de Paula
Published in Journal of biomolecular structure & dynamics (13.04.2023)
Published in Journal of biomolecular structure & dynamics (13.04.2023)
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Journal Article
Coordination of methylene blue to group 11 and 12 transition metals: A DFT study
da Silva, Talis Uelisson, da Silva, Everton Tomaz, Machado, Sérgio de Paula
Published in Inorganica Chimica Acta (01.04.2019)
Published in Inorganica Chimica Acta (01.04.2019)
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Journal Article
Theoretical study of binuclear Cu-M complexes (M = Zn, Cu, Ni) with p-xylylene-bridged-bis(1,4,7-triazacyclononane) ligands: Possible CuZnSOD mimics
da Silva, Talis Uelisson, da Silva, Everton Tomaz, Lima, Camilo Henrique da Silva, Machado, Sérgio de Paula
Published in Inorganica Chimica Acta (01.02.2020)
Published in Inorganica Chimica Acta (01.02.2020)
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Journal Article
A DFT study of cis-[Ru(NO)(NO2)bpy(dye)2]+ complexes as NO donors
da Silva, Everton Tomaz, da Silva, Talis Uelisson, de Carvalho Pougy, Karina, da Silveira, Renata Bortoleto, da Silva, Roberto Santana, Machado, Sérgio de Paula
Published in Inorganica Chimica Acta (24.09.2020)
Published in Inorganica Chimica Acta (24.09.2020)
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Journal Article
Crystal structures, DFT calculations and Hirshfeld surface analysis of two (E)-3-(aryl)-1-(naphthalen-1-yl)prop-2-en-1-one chalcone derivatives, potential Mycobacterium tuberculosis Enoyl ACP reductase (InhA) inhibitors and optical materials: conformational differences within the prop-2-en-1-one unit
Albuquerque, Magaly Girão, Gonçalves, Raoni Schroeder B., Lima, Camilo Henrique da Silva, Maia, Fernanda Lima de Azevedo, Machado, Sérgio de Paula, Oliveira, Laudicéa do Nascimento, da Silva, Talis Uelisson, Wardell, James L., Wardell, Solange M.S.V.
Published in Journal of molecular structure (15.12.2021)
Published in Journal of molecular structure (15.12.2021)
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Journal Article
A DFT study of cis-[Ru(NO)(NO2)bpy(dye)2]n+ complexes as NO donors
da Silva, Everton Tomaz, da Silva, Talis Uelisson, de Carvalho Pougy, Karina, da Silveira, Renata Bortoleto, da Silva, Roberto Santana, Machado, Sérgio de Paula
Published in Inorganica Chimica Acta (24.09.2020)
Published in Inorganica Chimica Acta (24.09.2020)
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Journal Article