Search Results - "Lopes, Juliana Fedoce"

Thermodynamic investigation of biperiden hydrochloride and cyclodextrins supramolecular systems by Morais, Diego C., Vieira, Bianca B.M., Carvalho, Mônica C., Miguez, Flávio B., Fedoce Lopes, Juliana, De Sousa, Frederico B.

“…[Display omitted] •Among all tested CDs, only αCD demonstrated a 2:1 host:guest ratio.•Size of the cavity diameter directly influences the binding affinity…”
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Biperiden Hydrochloride/β -Cyclodextrins supramolecular system and its cytotoxicity against lung adenocarcinoma cells by Vieira, Bianca B.M., Lula, Ivana, Leão, Nádia M., Soares, Daniel C.F., Fedoce Lopes, Juliana, De Sousa, Frederico B.

“…[Display omitted] •Biperiden aqueous solubility was increased 34% due to its interaction with β CD.•ITC and NMR techniques confirmed an equilibrium between two…”
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Electronic investigation of light-induced reversible coordination of Co(II)/spiropyran complex by Miguez, Flávio B., Reis, Izadora F., Dutra, Lucas P., Silva, Igor M.S., Verano-Braga, Thiago, Lopes, Juliana Fedoce, De Sousa, Frederico B.

“…Herein, synthesis and characterization of a cobalt (II) complex using a spiropyran as its ligand was described. Solid complex (CoMC) was obtained using a novel…”
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Synthesis, Characterization, and Photophysical Properties of Three Platinum(II) Complexes Bearing Fluorescent Analogues of the Di-2-pyridylmethane Ligand by Wilson, Justin J, Fedoce Lopes, Juliana, Lippard, Stephen J

“…Three new ligands of the general formula [RNHCH(py)2] (py = pyridine; R = tosyl, Ts-dpm; R = dansyl, Ds-dpm; R = 7-nitro-1,2,3-benzoxadiazole, NBD-dpm) have…”
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Reactions of Organozinc Thiolates with Nitrosonium Ion: C‑Nitroso Formation by Possible Transnitrosation by Kozhukh, Julia, Fedoce Lopes, Juliana, Dos Santos, Hélio F., Lippard, Stephen J.

“…The organometallic complexes [ZnPAThEt] and [ZnPAThMes], where PATh is 2-methyl-1-[methyl-(2-pyridin-2-yl-ethyl)amino]propane-2-thiolate, were prepared and…”
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Monte Carlo Simulation of Cisplatin Molecule in Aqueous Solution by Lopes, Juliana Fedoce, de A. Menezes, Victor Ströele, Duarte, Hélio A, Rocha, Willian R, De Almeida, Wagner B, Dos Santos, Hélio F

“…The Lennard-Jones (12−6) parameters were obtained for all atoms of cisplatin molecule using the ab initio quantum mechanical potential energy surface for the…”
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The role of intramolecular interactions on the stability of the conformers of a spiropyran derivative by Menzonatto, Thiago G., Lopes, Juliana Fedoce

“…[Display omitted] DFT level calculations of the thermal isomerization reaction of SP ⇋ MC, in which SP is the spiropyrans derivative…”
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Photo-dynamic and fluorescent zinc complex based on spiropyran ligand by Miguez, Flávio B., Menzonatto, Thiago G., Netto, Jorge Fernandes Z., Silva, Igor M.S., Verano-Braga, Thiago, Lopes, Juliana Fedoce, De Sousa, Frederico B.

“…Spiropyrans are among a class of organic molecules widely studied as molecular photoswitches. A photochromic and solvatochromic spiropyran-containing Zinc (II)…”
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Structural and thermodynamic investigation of pentoxifylline-cyclodextrin inclusion complex by Morais, Charles A.S., Lemes Silva, Bruna, Denadai, Ângelo M.L., Lopes, Juliana Fedoce, De Sousa, Frederico B.

“…[Display omitted] •Experimental and theoretical results confirmed the PTX inclusion into β-CD.•PTX alkyl group is preferred included into the β-CD cavity.•ITC…”
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Electronic and thermodynamic study of Indium (III) complex with N-ethyl-sulfonyldithiocarbimate by de Freitas, Andressa C., Machado, Raphael C.L., Miguez, Flávio B., Venâncio, Mateus F., Diniz, Renata, Lopes, Juliana Fedoce, Tavares, Eder do C., De Sousa, Frederico B.

“…•Indium (III) complex using N-ethyl-sulfonyldithiocarbimate as ligands was obtained.•Experimental and theoretical results were crucial to depict the complex…”
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Structural and Electronic Characterization of a Photoresponsive Lanthanum(III) Complex Incorporated into Electrospun Fibers for Phosphate Ester Catalysis by F. Reis, Izadora, Miguez, Flávio B, Vargas, Carlos A. Amaya, Menzonatto, Thiago G, Silva, Igor M. S, Verano-Braga, Thiago, Lopes, Juliana Fedoce, Brandão, Tiago A. S, De Sousa, Frederico B

“…Herein, we present the light-induced synthesis and characterization of a La3+/spiropyran derivative complex (LaMC) and its application as a catalyst when…”
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Thermodynamic compatibility between cyclodextrin supramolecular complexes and surfactant by Meira, Larissa H.R., Soares, Guilherme A.B., Bonomini, Homero I.M., Lopes, Juliana Fedoce, De Sousa, Frederico B.

“…[Display omitted] Supramolecular structures based on cyclodextrins have been extensively used for drug delivery systems over decades. However, combining host…”
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The role of the basis set and the level of quantum mechanical theory in the prediction of the structure and reactivity of cisplatin by Paschoal, Diego, Marcial, Bruna L., Lopes, Juliana Fedoce, De Almeida, Wagner B., Dos Santos, Hélio F.

“…In this article, we conducted an extensive ab initio study on the importance of the level of theory and the basis set for theoretical predictions of the…”
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Inclusion complex thermodynamics: The β-cyclodextrin and sertraline complex example by Lopes, Juliana Fedoce, Nascimento, Clebio S., Anconi, Cleber P.A., Santos, Hélio F.Dos, Almeida, Wagner B.De

“…[Display omitted] •Thermodynamic analysis for cyclodextrin's inclusion complexes formation.•Explicit water molecules play a key role on theoretical modeling of…”
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Multi-equilibrium system based on sertraline and β-cyclodextrin supramolecular complex in aqueous solution by Passos, Joel J., De Sousa, Frederico B., Lula, Ivana S., Barreto, Elison A., Lopes, Juliana Fedoce, De Almeida, Wagner B., Sinisterra, Rubén D.

“…Sertraline (SRT) is a widely used antidepressant whose poor solubility in water limits its oral applicability. Thus, the aim of this work was the evaluation of…”
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Synthesis, Characterization, and Photophysical Properties of Three Pt(II) Complexes Bearing Fluorescent Analogues of the Di-(2-pyridyl)methane Ligand by Wilson, Justin J., Lopes, Juliana Fedoce, Lippard, Stephen J.

“…Three new ligands of general formula [RNHCH(py) 2 ] (py = pyridine, R = tosyl, Ts-dpm; R = dansyl, Ds-dpm; R = 7-nitro-1,2,3-benzoxadiazole, NBD-dpm) have been…”
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Structural and Electronic Characterization of Photo-responsive Lanthanum (III) Complex Incorporated into Electrospun Fibers for Phosphate Ester Catalysis by Fonseca Reis, Izadora, Miguez, Flavio Bastos, Vargas, Carlos A A, Menzonatto, Thiago G, Silva, Igor M S, Verano-Braga, Thiago, Lopes, Juliana Fedoce, Brandao, Tiago A S, De Sousa, Frederico Barros

“…Herein, we present the light-induced synthesis and characterization of a La3+/spiropyran-derivative complex (LaMC) and its application as a catalyst while…”
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Theoretical study of the potential energy surface for the interaction of cisplatin and their aquated species with water by Lopes, Juliana Fedoce, Rocha, Willian R, Dos Santos, Hélio F, De Almeida, Wagner B

“…In this work, a systematic study of the interaction of neutral cisplatin ([Pt(NH(3))(2)Cl(2)]) and their charged aquated species ([Pt(NH(3))(2)Cl(H(2)O)](+)…”
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Ab Initio Calculations on Low-Energy Conformers of α-Cyclodextrin by Anconi, Cleber P. A, Nascimento, Clebio S, Fedoce-Lopes, Juliana, Dos Santos, Hélio F, De Almeida, Wagner B

“…In this article we carried out a comprehensive investigation of true minima on the potential energy surface (PES) for the α-cyclodextrin molecule using ab…”
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Theoretical study of spectroscopic properties of insulated molecular wires formed by substituted oligothiophenes and cross-linked α-cyclodextrin by Venâncio, Mateus F, Nascimento, Clebio S. Jr, Anconi, Cleber P.A, Lopes, Juliana Fedoce, Rocha, Willian R, Dos Santos, Hélio F, De Almeida, Wagner B

“…The inclusion compound formed between cross-linked α-cyclodextrin dimer and substituted oligothiophene, was investigated using density functional theory (DFT)…”
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