Hydrogen Bond
Mostrando 1-12 de 628 artigos, teses e dissertações.
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1. Synthesis and SARS-CoV-2 3CL Protease Inhibitory Effects of Oxazolidinone Derivatives
The 3-chymotrypsin-like protease (3CLpro) is an attractive target for the development of anti-SARS (severe acute respiratory syndrome) drugs. In this work, a series of oxazolidinone derivatives 3a-3v were synthesized and their inhibitory activities against SARS coronavirus 2 (SARS-CoV-2) 3CLpro were evaluated by the fluorescence resonance energy transfer (FR
Journal of the Brazilian Chemical Society. Publicado em: 2022
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2. Crystal Structure and Hirshfeld Surface Analysis of 1,4-Pentadien-3-one, (1E,4E)-1,5-diphenyl-2-(2,4-dinitrophenyl)hydrazone
The compound 1,4-pentadien-3-one,(1E,4E)-1,5-diphenyl-2-(2,4-dinitrophenyl)hydrazone presents the molecular formula C23H18N4O4 and was prepared in an undergraduate laboratory. The hydrazone was synthesized from the condensation between dibenzalacetone and 2,4-dinitrophenylhydrazine (DNPH) and crystallized employing water/acetone liquid-liquid diffusion. The
J. Braz. Chem. Soc.. Publicado em: 2021-02
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3. Mechanistic Investigation of DBU-Based Ionic Liquids for Aza-Michael Reaction: Mass Spectrometry and DFT Studies of Catalyst Role
1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU)-based ionic liquids (ILs) has exhibited a high catalytic activity in the aza-Michael reactions compared to conventional catalysts and with imidazole-based ILs. In the present work DBU-based ILs showed high catalytic potential for aza-Michael addition of aromatic amines to 2-cyclohexen-1-one under solvent-free conditio
J. Braz. Chem. Soc.. Publicado em: 2020-09
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4. Glass fiber post treatment – does it influence resin cement bond strength?
Resumo Introdução Pinos de fibra de vidro são utilizados para melhorar a retenção das restaurações em dentes tratados endodonticamente. Objetivo Avaliar a resistência de união de pinos de fibra de vidro submetidos a diferentes tratamentos superficiais e cimentados à dentina radicular com cimento resinoso autoadesivo. Material e método trinta ra
Rev. odontol. UNESP. Publicado em: 26/09/2019
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5. Anticonvulsant evaluation of 2-pyrazolines carrying naphthyl moiety: An insight into synthesis and molecular docking study
A series of N-substituted-3-(napthalen-2-yl)-5-substituted phenyl-4,5-dihydropyrazole-1-carbothioamide derivatives (4a-n) were synthesized with the view of structural requirements of pharmacophore for potential anticonvulsant agents. The synthesized compounds were assayed intraperitoneally (i.p.) and subcutaneously (s.c.) in mice against seizures induced by
Braz. J. Pharm. Sci.. Publicado em: 12/08/2019
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6. Blood compatibility assessments of electrospun polyurethane nanocomposites blended with megni oil for tissue engineering applications
Abstract: Tissue engineering holds as a prominent technique to repair or replace the damaged human parts to recreate its native function. In this research, a novel scaffold based on polyurethane (PU) comprising megni oil was electrospun for tissue engineering applications. The obtained polyurethane blended with megni oil nanofibers were characterized by scan
An. Acad. Bras. Ciênc.. Publicado em: 19/06/2019
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7. Facial Selectivity between Carbohydrates and Aromatic Amino Acids Explained by a Combination of NCI, NBO and EDA Techniques with NMR Spectroscopy
The influence of electrostatic and dispersion components of intermolecular interactions on the recognition of carbohydrates by aromatic protein residues is important for many biological processes. Interactions between glucose and galactose and aromatic moieties of tryptophan, phenylalanine and histidine were investigated through 1H nuclear magnetic resonance
J. Braz. Chem. Soc.. Publicado em: 08/04/2019
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8. 2D, 3D and Hybrid QSAR Studies of Nostoclide Analogues as Inhibitors of the Photosystem II
Synthetic herbicides are widely used for weed control in crops. Continuous application of chemicals induces the adaptation of weeds, leading to the development of resistance. Therefore, research for novel synthetic herbicides plays an important role in crop protection and food production. Within this context, it is important to understand the relationship be
J. Braz. Chem. Soc.. Publicado em: 2019-02
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9. Effect of Conditioning Protocols and Ultrasonic Application of an Infiltrant Resin in White Spot Lesions
Resumo: O objetivo deste estudo foi avaliar diferentes protocolos de condicionamento e a aplicação sônica/ultrassônica de uma resina infiltrante (RI) em lesões de mancha branca produzidas artificialmente (LMBA). As superfícies vestibulares/linguais de 48 molares foram induzidas à formação de LMBA e divididas em 6 grupos, de acordo com os protocolos
Braz. Dent. J.. Publicado em: 2019-02
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10. Screening and Binding Analysis of Flavonoids with Alpha-Amylase Inhibitory Activity from Lotus Leaf
Lotus leaf is gaining growing popularity due to its various benefits and widely usage. In this paper, ten flavonoids in lotus leaf extract were analyzed by high performance liquid chromatography (HPLC). Centrifugal ultrafiltration combined liquid chromatography was used to screen alpha-amylase inhibitors from ten flavonoids mixture and the binding degrees ra
J. Braz. Chem. Soc.. Publicado em: 2018-03
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11. ADSORÇÃO DE CONTAMINANTES DO BIODIESEL POR FIBRAS DE BAGAÇO MODIFICADAS NA SUPERFÍCIE
Sugarcane bagasse fibers chemically modified on its surface were used to adsorb contaminants from biodiesel. Two biodiesel samples were used as adsorbates: crude and washed biodiesel. The contaminants were mainly glycerol and water, but also ions, and methanol. The biodiesel is usually washed, in order to remove most of the contaminants, but the procedure in
Quím. Nova. Publicado em: 2018-02
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12. Synthesis and Photophysical Characterization of Proton Transfer-Based Thiourea Derivatives: Potential Application as Colorimetric Naked-Eye Chemosensor for Fluoride Detection in Solution
Two new thiourea derivatives were synthesized through the reaction of photoactive aminohydroxybenzazoles and p-isothiocyanate benzoic acid via nucleophilic addition reaction. The compounds were characterized using high resolution mass spectrometry with eletrospray ionization (HRMS-ESI), Fourier transform infrared (FTIR), 13C and 1H nuclear magnetic resonance
J. Braz. Chem. Soc.. Publicado em: 2017-09