Quantum Groups
Mostrando 1-12 de 76 artigos, teses e dissertações.
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1. A novel fluorescence sensor for the detection of chloride ion in artificial sweat and environmental water with nitrogen-doped graphene quantum dots
A new fluorescent detection route for chloride ion was designed with Nitrogen-doped graphene quantum dots (N-GQDs), which were prepared by a traditional hydrothermal method with citric acid as carbon source and urea as nitrogen source. The prepared N-GQDs solution was light yellow, and the freeze-dried solid was black. It emitted blue light under ultraviolet
Química Nova. Publicado em: 2022
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2. SÍNTESE E CARACTERIZAÇÃO DE PONTOS QUÂNTICOS AMBIENTALMENTE AMIGÁVEIS, UM MEIO SIMPLES DE EXEMPLIFICAR E EXPLORAR ASPECTOS DA NANOCIÊNCIA E NANOTECNOLOGIA EM CURSOS DE GRADUAÇÃO
Nanotechnologies and nanomaterials are very current and interesting topics and can be used as interdisciplinary tools in education. They can be used to work in a practical and interesting way with lots of subjects. In chemistry teaching it can be particularly important to consolidate the nanomaterials, nanotechnology and characterization teaching. Among the
Quím. Nova. Publicado em: 2020-06
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3. Near-Infrared Luminescence from Visible-Light-Sensitized Ruthenium(II)-Neodymium(III) Heterobimetallic Bridged Complexes Containing Alkoxy(silyl) Functional Groups
New infrared emitting d-f (ruthenium(II)-neodymium(III)) heterobimetallic complexes with alkoxy(silyl) functional groups have been prepared. Visible excitation evidenced energy transfer processes from the ruthenium(II) donor to neodymium(III) acceptors leading to infrared emission. Energy transfer rates (kEnT) and efficiency of energy transfer (ηEnT) are, r
J. Braz. Chem. Soc.. Publicado em: 2020-04
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4. The Influence of Different Ammonium Cations on the Optical Properties of Tetrakis GdIII and EuIII Complexes
A series of tetrakis-β-diketonate Q+[Ln(β-dik)4]–, where Ln = GdIII or EuIII, Q = ammonium cations and β-dik = tta (2-thenoyltrifluoracetone) or bmdm (1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1,3-propanedione) have been synthesized and characterized. The environment surrounding the EuIII ion depends on the lateral groups of the ligand and on the alkyl
J. Braz. Chem. Soc.. Publicado em: 12/08/2019
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5. On Estimation of Adhesive Strength of Implants Bioactive Coating with Titanium by Density Functional Theory and Molecular Dynamics Simulations
One of the ways to improve and accelerate osseointegration of a surgical implant with bone is application of biocompatible coatings, in particular, hydroxyapatite (HAp). Since the cases of delamination of the coating take place in dental practice, it is very important to estimate the adhesive strength of HAp with the implant. A measure of the coating-to-subs
Mat. Res.. Publicado em: 30/05/2019
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6. SYNTHESIS, ELECTRONIC AND SPECTRAL PROPERTIES OF NEW 1,3,4-THIADIAZOLE COMPOUNDS AND THE SPECTRAL ANALYSIS OF THEIR CONFORMERS USING DENSITY FUNCTIONAL THEORY
In this study, new 1,3,4-thiadiazole compounds were synthesised and characterised by FT-IR, 1H-NMR, UV-vis spectroscopy and elemental analysis, Furthermore, the relationship between the electronic and spectral data of the 16 conformers of each compound was investigated by theoretical calculations; the theoretical data were compared with the experimental resu
Quím. Nova. Publicado em: 2019-02
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7. Functionalization of P3HT with Various Mono- and Multidentate Anchor Groups
Due to its favorable optoelectronic properties and the accessibility via Grignard metathesis (GRIM) polymerization, poly(3-hexylthiophene) (P3HT) is one of the most applied conjugated polymers. The ‘living' nature of GRIM polymerization enables the modification of the polymer and the installation of desired properties. In the present study, two versatile a
J. Braz. Chem. Soc.. Publicado em: 2018-05
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8. Vitality of lichens under different light climates in an Araucaria forest (Pró-Mata RS, South Brazil) as determined by chlorophyll fluorescence
ABSTRACT The vitality of 64 lichen species (107 individual lichen thalli) growing under different light climates in an Araucaria forest in South Brazil was analyzed by chlorophyll fluorescence. Study sites were grouped according to their local light availability under full sunlight (about 2200 µmol m-2 s-1): 1 = low light, up to 20 µmol m-2 s-1; 2 = medium
Acta Bot. Bras.. Publicado em: 08/01/2018
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9. DFT STUDY ON THE MECHANISTIC, ENERGETIC AND STRUCTURAL ASPECTS OF ADSORPTION OF TIRAPAZAMINE ONTO PRISTINE AND FUNCTIONALIZED CARBON NANOTUBES
Using density functional theory, noncovalent interactions and two mechanisms of covalent functionalization of drug tirapazamine with pristine, COOH and COCl functionalized carbon nanotube (NT, NTCOOH and NTCOCl) have been investigated. Quantum molecular descriptors of noncovalent configurations were studied. It was specified that binding of drug tirapazamine
Quím. Nova. Publicado em: 2018-01
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10. ESTUDIO COMPUTACIONAL DE LA INTERACCIÓN N∙∙∙C EN SISTEMAS MOLECULARES (R)NN-CO2 (N=1,2,3)
The structures and molecular interactions of (R)nN-CO2 complexes of amines and CO2 in the gas phase were computationally studied by using ab-initio methods and quantum theory of atoms in molecules (QTAIM). The analysis of the electrostatic potential showed that the interaction N∙∙∙C present in this type of aggregates is favored by the potential differe
Quím. Nova. Publicado em: 2017-09
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11. ELUCIDATION OF THE ELECTRONIC SPECTRUM CHANGES OF KA-Al3+ COMPLEX BY POTENTIOMETRIC TITRATION, FTIR, 13C RMN AND QUANTUM MECHANICS
Kojic acid (KA) is an organic acid widely used in pharmaceutical industry, mainly as a skin lightening agent. Based on the ability of KA to form complexes with ions, we found the most possible kind of complex formed with cation aluminum. KA-Al3+ complex structures were studied using potentiometric and spectrophotometric (UV) titrations, FTIR and 13C NMR. The
Quím. Nova. Publicado em: 2017-08
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12. An Efficient Quantum Algorithm for the Hidden Subgroup Problem over some Non-Abelian Groups
RESUMO O problema do subgrupo oculto (PSO) tem um papel importante na computação quântica pois muitos algoritmos quânticos que são exponencialmente mais rápidos que seus equivalentes clássicos são casos especiais do PSO. Neste artigo nós mostramos a existência de um novo algoritmo quântico eficiente para o PSO sobre grupos da forma Z N ⋊ Z
TEMA (São Carlos). Publicado em: 2017-08