Binding Properties
Mostrando 1-12 de 4449 artigos, teses e dissertações.
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1. 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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2. In vitro Antioxidant and Anticholinesterase Activities of Ouratea fieldingiana (Gardner) Eng. Leaf Extract and Correlation with Its Phenolics Profile with an in silico Study in Relation to Alzheimer’s Disease
Ouratea fieldingiana is a native medicinal plant from Northeastern Brazil and many biological properties are due to the phenolic constituents. The objective of this work was performing the characterization of O. fieldingiana leaf constituents to correlate with antioxidant and anticholinesterase activities by in vitro and in silico studies and thus contribute
Journal of the Brazilian Chemical Society. Publicado em: 2022
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3. 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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4. On the Use of a TiO2 Sol-Gel for Horseradish Peroxidase Enzyme Immobilization for Development of an Amperometric Biosensor
The sol-gel technique has drawn considerable attention in the area of biomolecules immobilization by virtue of its intrinsic properties including chemical inertness, thermal stability, and good biocompatibility. The present work reports the development of a bio-sensing methodology which involves the immobilization of horseradish peroxidase enzyme (HRP) on pe
J. Braz. Chem. Soc.. Publicado em: 2021-06
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5. [5]Helicene-Scaffold Fluorescence Sensing for Selective Detection of Au3+ Ions and Gold Nanoparticle
A new quenching fluorescence sensor (MDP) with high productivity was easily synthesized from a [5]helicene anhydride derivative and propargyl bromide. This MDP sensor has significant photophysical properties, including high fluorescence emission and a large Stokes shift, and it exhibits selectivity and an excellent detection response in distinguishing Au3+ i
J. Braz. Chem. Soc.. Publicado em: 2021-04
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6. ORBITALS IN GENERAL CHEMISTRY, PART III: CONSEQUENCES FOR TEACHING
In Part III of this series, we undertake a critique of the nature of application of orbitals to describe or to explain the structure and the binding within molecules and materials. Teaching orbitals in introductory chemistry presents five dilemmas that cannot be easily resolved. We thus conclude, based on mathematical realties, that orbitals are not essentia
Quím. Nova. Publicado em: 2021-03
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7. COVID-19 in Brazil: A Message to the World
In Part III of this series, we undertake a critique of the nature of application of orbitals to describe or to explain the structure and the binding within molecules and materials. Teaching orbitals in introductory chemistry presents five dilemmas that cannot be easily resolved. We thus conclude, based on mathematical realties, that orbitals are not essentia
Rev. Bras. Ginecol. Obstet.. Publicado em: 2021-03
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8. Synthesis, Characterization, Spectroelectrochemical, Photophysical and HSA-Binding Properties of Novel and Versatile meso-Tetra(4-pyridylvinylphenyl)porphyrins Coordinated to Ruthenium(II)-Polypyridyl Derivatives
The free-base meso-tetra(4-pyridylvinylphenyl)porphyrin (1a) and its zinc(II) complex were synthesized and then functionalized with [Ru(bpy)2Cl]+ units (2a and 2b) via conventional methods and evaluated in terms of photophysical, electrochemical and biological aspects. All porphyrins present moderate singlet oxygen production and fluorescence quantum yield,
J. Braz. Chem. Soc.. Publicado em: 2020-11
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9. Calcium oxalate content from two Amazonian amilaceous roots and the functional properties of their isolated starches
Abstract The calcium oxalate content from two Amazonian amilaceous roots, Xanthosoma sagittifolium and Pachyrhizus tuberosus, before and after cooking were studied in the present work. Calcium oxalate raphides were observed by light microscopy in longitudinal sections from fresh tubers. The functional properties and physicochemical characteristics of isolate
Food Sci. Technol. Publicado em: 2020-09
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10. Editar Machado de Assis
In this work, a systematic study of 17α-ethinylestradiol and estrone molecules interacting with single wall carbon nanotube is presented by means of first principle calculations. The structural properties, binding energy, charge transfer, and electronic properties were calculated and analyzed to characterize the effect of interaction of 17α-ethinylestradio
Machado Assis Linha. Publicado em: 2020-04
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11. Ab initio Study of 17α-Ethinylestradiol and Estrone Molecules Interacting with Single Wall Carbon Nanotube
In this work, a systematic study of 17α-ethinylestradiol and estrone molecules interacting with single wall carbon nanotube is presented by means of first principle calculations. The structural properties, binding energy, charge transfer, and electronic properties were calculated and analyzed to characterize the effect of interaction of 17α-ethinylestradio
J. Braz. Chem. Soc.. Publicado em: 2020-04
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12. BIOMECHANICAL PROPERTIES OF WOLFBERRY PLANT ORGANS
ABSTRACT To improve the picking rate and reduce the wrong picking rate of the existing wolfberry harvesting machinery, in this study, the binding force and physical appearance of the immature fruit stalk, mature fruit stalk, flower, and leaf were studied to guide the designing of new-generation wolfberry harvesting machinery and lay theoretical foundation fo
Eng. Agríc.. Publicado em: 2020-04