Electronic Interactions
Mostrando 1-12 de 153 artigos, teses e dissertações.
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1. Synthesis and Molecular Modeling Study of Two Bromo-Dimethoxybenzaldehydes
This work describes the synthesis, molecular structure, and packaging of the compounds 6-bromo-2,3-dimethoxybenzaldehyde (6-BRB) and 5-bromo-2,3-dimethoxybenzaldehyde (5 BRB). Characterization in the solid-state was carried out by X-ray diffraction, and the analysis of the interactions was described by the Hirshfeld surface, which helps in understanding the
Journal of the Brazilian Chemical Society. Publicado em: 2022
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2. GRAPHEN-PHENYL-NH2 AS NANOCARRIER: A DENSITY FUNCTIONAL THEORY STUDY
Recently, graphene and modified graphene as one of the most suitable and the most important carbon nanomaterials have been introduced for drug delivery. In this paper, we have studied the binding characteristics of the EDC-NHS cross-linking process of graphene-phenyl-NH2 and 5-aminolevulinic acid (ALA) drug in both gas and solvent phases by density functiona
Química Nova. Publicado em: 2022
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3. Dextran Sulfate/Pramlintide Polyelectrolyte Nanoparticles as a Promising Delivery System: Optimization, Evaluation of Supramolecular Interactions and Effect on Conformational Stability of the Peptide Drug
In this study, we investigated the feasibility to obtain nanoparticles (NPs) by assembling pramlintide (Pram) with dextran sulfate (DexS), as a new approach for mucosal peptide delivery. DexS/Pram NPs were prepared by dropwise addition of a Pram solution to a DexS solution under magnetic stirring. The physicochemical characteristics of NPs and molecular inte
J. Braz. Chem. Soc.. Publicado em: 2021-08
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4. DFT, Molecular Docking, and ADME/Tox Screening Investigations of Market-Available Drugs against SARS-CoV-2
A series of drugs was investigated to determine structural, electronic and pharmacological properties, as well as the molecular affinity for the main protease of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The drugs were submitted to density functional theory calculations to optimize structures and predict binding preferences. The optimized
J. Braz. Chem. Soc.. Publicado em: 2021-08
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5. Choosing Wisely for Thyroid Conditions: Recommendations of the Thyroid Department of the Brazilian Society of Endocrinology and Metabolism
ABSTRACT Objective: Choosing Wisely (CW) is an initiative that aims to advance the dialogue between physicians and patients about low-value health interventions. Given that thyroid conditions are frequent in clinical practice, we aimed to develop an evidence-based list of thyroid CW recommendations. Materials and methods: The Thyroid Department of the Braz
Arch. Endocrinol. Metab.. Publicado em: 2021-04
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6. Nickel-Cerium Layered Double Hydroxide as Electrocatalyst for Glycerol Oxidation
A new nickel based layered double hydroxide nanomaterial, Ni0.8Ce0.2-LDH, constituted by about 3 nm large nanoparticles exhibiting enhanced electrocatalytic properties towards oxidation of glycerol in alkaline media, was prepared by incorporation of 20 wt.% of CeIII ions into α-nickel hydroxide. This can be oxidized to CeIV, as demonstrated by X-ray photoel
J. Braz. Chem. Soc.. Publicado em: 2020-11
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7. COVID-19 and stroke: a thromboembolic hypothesis
A new nickel based layered double hydroxide nanomaterial, Ni0.8Ce0.2-LDH, constituted by about 3 nm large nanoparticles exhibiting enhanced electrocatalytic properties towards oxidation of glycerol in alkaline media, was prepared by incorporation of 20 wt.% of CeIII ions into α-nickel hydroxide. This can be oxidized to CeIV, as demonstrated by X-ray photoel
Rev. Assoc. Med. Bras.. Publicado em: 2020-11
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8. INTERAÇÕES COMPETITIVAS DE COMPLEXOS DE RUTÊNIO CONTENDO DIMETILSULFÓXIDO E LIGANTES N-HETEROCÍCLICOS COM ALBUMINA DE SORO HUMANO
Two ruthenium complexes of the type [RuCl(dmso)(L)2]Cl {L = 4,4’-dimethyl-2,2’-bipyridine (dmbpy); 4,4’-dinonyl-2,2’-bipyridine (dnbpy)} have been synthesized and characterized by elemental analysis, 1H NMR, FTIR, electronic spectra, and molar conductivity. The IR spectral studies revealed that the DMSO molecule is S-bound ( νSO= 1100 cm-1; 1079 cm-
Quím. Nova. Publicado em: 2020-03
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9. Well Defined Rich Electronic Structure: Facile Approach for Nido-Carborane Fused Azaspirodecaniums in Water Solution
A novel bis-dumbbell shape of a multi cation around a azaspirodecanium combined with nido-carborane was prepared in a single step in good yield starting from pyrrolidine and 1,3-dichloropropane to give one compound and from piperidine and 1,4-dichlorobutane to give the other. This is the first report of an electrolyte azaspirodecanium-boron-cluster structure
J. Braz. Chem. Soc.. Publicado em: 2020-01
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10. Delay of neuropathic pain sensitization after application of dexamethasone-loaded implant in sciatic nerve-injured rats
Neuroimmune interactions underlying the development of pain sensitization in models of neuropathic pain have been widely studied. In this study, we evaluated the development of allodynia and its reduction associated with peripheral antineuroinflammatory effects induced by a dexamethasone-loaded biodegradable implant. Chronic constriction injury (CCI) of the
Braz. J. Pharm. Sci.. Publicado em: 20/12/2019
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11. UNRAVELING THE SOLVATOCHROMISM OF A TRIARYLMETHANE DYE BY RESONANCE RAMAN SPECTROSCOPY
The effect of the solvent on the electronic properties of the triarylmethane dye rosolic acid (RA) is investigated by means of UV-VIS and resonance Raman (RR) spectroscopies. The comparison of the solvatochromic behavior of both neutral and dianionic species of RA in acetonitrile, dimethylsulfoxide, and methanol illustrates the effect of polarity and hydroge
Quím. Nova. Publicado em: 05/12/2019
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12. Aplicação do Formalismo CTP em uma Ação com Operador Pseudo-Diferencial
Resumo O formalismo CTP (closed-time-path) é uma ferramenta matemática para calcular funções de Green em sistemas físicos. A principal vantagem desta técnica é a de que, ao contrário do formalismo de Feynman, o formalismo CTP pode ser aplicado em sistemas fora do equilíbrio. Por outro lado, em física da matéria condensada, alguns modelos não loca
Rev. Bras. Ensino Fís.. Publicado em: 25/11/2019