Van Der Waals
Mostrando 1-12 de 275 artigos, teses e dissertações.
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1. VIBRATION CHARACTERISTICS, CHEMICAL BONDS AND WEAK INTERACTIONS OF 4- AND 5-HYDROXYSALICYLIC ACID INVESTIGATED BY TERAHERTZ SPECTROSCOPY AND DENSITY FUNCTIONAL THEORY
The terahertz (THz) absorption spectra of 4- and 5-hydroxysalicylic acid were measured by terahertz time-domain spectroscopy (THz-TDS) in the range of 0.4-2.8 THz. The unit cells of both were calculated by density functional theory (DFT), and the theoretical simulation and experimental data were basically in agreement. To further interpret the origin of the
Química Nova. Publicado em: 2022
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2. 2-(Pyridin-4yl)benzothiazole and Its Benzimidazole-Analogue: Biophysical and in silico Studies on Their Interaction with Urease and in vitro Anti-Helicobacter pylori Activities
In this study, the interaction between benzothiazole (BTA, concentration of a drug required for 50% inhibition in vitro (IC50) = 0.77 mM) and benzimidazole (BIA, IC50 = 2.14 mM) with urease was quantitatively assessed, using UV-Vis, molecular fluorescence, and circular dichroism. The results showed that both compounds interact with urease by a static fluores
Journal of the Brazilian Chemical Society. Publicado em: 2022
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3. Evaluation of the Direct Interaction between Amino Acids and Glutathione-Coated CdTe Quantum Dots and Application in Urinalysis for Histidine Determination
The present work aimed to direct amino acid (AA) sensing by quantum dots (QD) and development of an analytical method for potential fast clinical tests. Notably, AA with a positive charge or neutral polar chains, namely L-histidine (His) and L-threonine (Thr), responded to glutathione-coated CdTe (GSH-CdTe) (ΔF ≤ 90%, variation of fluorescence intensity).
J. Braz. Chem. Soc.. Publicado em: 2021-03
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4. Inhibition of Acetylcholinesterase by Coumarin-Linked Amino Acids Synthetized via Triazole Associated with Molecule Partition Coefficient
A previous study for the identification of acetylcholinesterase (AChE) inhibitors demonstrated that the hybrid between tyrosol, the 1,2,3-triazole nucleus, and the coumarin group, namely 7-({1-[2-(4-hydroxyphenyl)ethyl]-1H-1,2,3-triazol-4-yl}methoxy)-4-methyl-2H-chromen-2-one (10), has a high enzyme inhibitory activity. Here, we synthesized analogues of 10 v
J. Braz. Chem. Soc.. Publicado em: 2021-03
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5. Antibacterial Activity of 2-Amino-1,4-naphthoquinone Derivatives against Gram-Positive and Gram-Negative Bacterial Strains and Their Interaction with Human Serum Albumin
A series of 2-amino-1,4-naphthoquinone derivatives (NQA-NQF) was synthesized by alternative methods (ultrasonication and microwave irradiation), with yields ranging from 40 to 71%, and without the need of further recrystallization. Each compound was evaluated against four Gram-positive (Bacillus subtilis, Enterococcus faecalis, Staphylococcus aureus and Baci
J. Braz. Chem. Soc.. Publicado em: 2020-09
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6. CHARACTERIZATION OF INTERACTION BETWEEN BUDDLEOSIDE AND BOVINE SERUM ALBUMIN
The primary objective of this study was to investigate the binding of buddleoside to bovine serum albumin (BSA) by different analytical techniques. The analytical principles of affinity capillary electrophoresis (ACE) and fluorescence spectroscopy used in the experiments were different. Mobility (M) that is independent of viscosity of the operating buffer an
Quím. Nova. Publicado em: 20/07/2020
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7. HÁ ALGO NOVO NO RECONHECIMENTO MOLECULAR APLICADO À QUÍMICA MEDICINAL?
In Medicinal Chemistry, the knowledge, the study and the understanding of the intermolecular interactions inherent to the molecular recognition of a ligand by its target bioreceptor are essential. This is because understanding these interactions, which define the molecular complementarity between the two, is the key to analyze critically structure-activity r
Quím. Nova. Publicado em: 2020-01
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8. PHASE BEHAVIOR DATA AND THERMODYNAMIC MODELING OF THE BINARY SYSTEM {CO2 + COUMARIN} AT HIGH PRESSURES
Abstract In this work, vapor - liquid (VLE) equilibrium for the binary system carbon dioxide (1) + coumarin (2) at high pressures was measured by a static synthetic method using a variable-volume view cell. Experimental data were obtained in the temperature range of 318 - 338 K and pressures up to 20 MPa. Coumarin molar fraction ranged from 3.0x10-3 to 6.0x1
Braz. J. Chem. Eng.. Publicado em: 30/09/2019
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9. LIPIDS AS COMPETITIVE INHIBITORS OF SUBTILISIN CARLSBERG IN THE ENZYMATIC HYDROLYSIS OF PROTEINS IN RED TILAPIA (Oreochromis sp.) VISCERA: INSIGHTS FROM KINETIC MODELS AND A MOLECULAR DOCKING STUDY
Abstract Protein hydrolysis can improve food’s nutritional, techno-functional and biological properties, which can increase the possibilities of application in industry. The objective of this research article was to study the effect of lipids on the enzymatic kinetics of red tilapia viscera (RTV) hydrolysis with subtilisin Carlsberg. The RTV were hydrolyze
Braz. J. Chem. Eng.. Publicado em: 30/09/2019
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10. Synthesis of ordered mesoporous silica MCM-41 with controlled morphology for potential application in controlled drug delivery systems
Resumo O MCM-41 é uma das cerâmicas mesoporosas mais estudadas para sistemas de liberação controlada de fármacos. Sua elevada área superficial específica e mesoporosidade permitem alta capacidade de adsorção. Apesar dos inúmeros trabalhos publicados na área biomédica, até o presente momento não há relatos de aplicações comerciais do MCM-41.
Cerâmica. Publicado em: 06/06/2019
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11. Uma abordagem didática para a pressão interna de foguetes de garrafa PET propulsionados pela reação química entre vinagre e bicarbonato de sódio
Resumo O objetivo deste artigo é apresentar a busca de uma relação matemática entre a quantidade de reagentes e a pressão interna em foguetes de garrafa PET adequados ao nível IV da Mostra Brasileira de Foguetes. Inicialmente, foi descrito o dióxido de carbono produzido na reação entre o vinagre e o bicarbonato de sódio, através da equação de Cl
Rev. Bras. Ensino Fís.. Publicado em: 26/03/2018
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12. An in silico Study of Benzophenone Derivatives as Potential Non-Competitive Inhibitors of Trypanosoma cruzi and Leishmania Amazonensis Cysteine Proteinases
This study investigates the mechanisms of interaction between benzophenone derivatives and cruzain and Llacys1 (the protein expressed by cysteine protease gene isoform 1 of L. amazonensis) by homology modelling, docking and molecular dynamics simulation. The results predict that the same binding site in cruzain and Llacys1 is involved in complexes with benzo
J. Braz. Chem. Soc.. Publicado em: 2018-03