Chemical Interaction
Mostrando 1-12 de 1018 artigos, teses e dissertações.
-
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
-
2. 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
-
3. Combined application of Isaria fumosorosea and beta-cyfluthrin in the control of coffee leaf miner
ABSTRACT The coffee leaf miner is responsible for significant decreases in coffee production. To mitigate the problems caused by this pest control strategies need to be applied. The combined application of chemical and biological insecticides is an alternative that can reduce the population of leaf miner in areas with high infestation and occurrence of resis
Revista Ceres. Publicado em: 2022
-
4. Spectroscopic techniques combined with chemometrics to study organic matter in tropical soils with different degrees of pedogenetic evolution
Understanding of the organomineral interactions in soil can elucidate the humic substances (HS) formation and the humification process. This study aimed to structurally characterize the humic acids (HA) formed in tropical soils with different pedogenesis degrees. The HA fraction was extracted from soil samples in the superficial horizons of an Inceptisol and
Química Nova. Publicado em: 2022
-
5. Through-Bond and Through-Space Interactions in [2,2]Cyclophanes
The interpretation of the distortions of the electron distribution in [2,2]cyclophanes (22-CPs) is controversial. Some studies indicate that there is an accumulation of electron density (ρ) outside the cavity of 22-CPs. The nature of through-space (ts) interaction is still under debate. The relative importance of ts and through-bond (tb) is an open question
J. Braz. Chem. Soc.. Publicado em: 2021-07
-
6. Molecular Modeling and Chemical Synthesis of New Safrol Oxime Ether Derivatives
Leishmaniasis, a neglected tropical disease with a high worldwide incidence, is considered a public health issue in Minas Gerais and Brazil, with a high degree of morbidity, not to mention the lack of therapeutic arsenal. The cysteine protease (rCPB2.8) and cyclin dependent kinase (CRK3), important enzymes for the parasite’s feasibility, were the targets c
J. Braz. Chem. Soc.. Publicado em: 2021-07
-
7. An Alternative Description for the Electronegativity Difference in Binary Ionic Solids
We are introducing an alternative analytical expression to the electronegativity difference (∆χ) as a function of the charge ge, g is the charge factor, the fraction of the electronic charge devoted to the bond and e the elementary charge, the packing factor (p) and the effective atomic number (Zeff) of binary ionic solids, by using the very basic Coulomb
J. Braz. Chem. Soc.. Publicado em: 2021-02
-
8. Protein Removal from Natural Rubber Latex with Fe3O4@Al2O3 Nanoparticle
The presence of protein in the natural rubber latex for the medical device manufacture seems to be the most considered compound due to its allergic effect. Magnetic coated alumina (Fe3O4@Al2O3) has been known as an adsorbent for organic substrates due to its performance through physical and/or chemical interaction. In the current study, we tried to figure ou
J. Braz. Chem. Soc.. Publicado em: 2021-02
-
9. Interaction of Suspended Particulate Material with Cd2+ and Pb2+ in a Brazilian Lagoon Estuarine System
The suspended particulate material (SPM) present in waters has fundamental importance for a better understanding of environmental behaviors of aquatic pollutants. This work determined the physicochemical parameters (pH, temperature, conductivity, total organic carbon and metals concentration) in water samples from Mundaú-Manguaba estuarine-lagoon system, Al
J. Braz. Chem. Soc.. Publicado em: 2021-01
-
10. GALILEO’S PENDULUM AS A MAGNETIC BALANCE FOR STUDYING CHEMICAL MAGNETISM AT HOME
A very simple, but rich experiment, encompassing a classical Galileo’s pendulum, has been devised to be performed at home, especially during the Covid-19 pandemics. The experiment uses a miniature supermagnet rod as the pendulum oscillating element suspended from a fixed sewing thread. Its physics can be fully investigated, allowing to study the oscillatio
Quím. Nova. Publicado em: 2021-01
-
11. BIONANOCOMPÓSITOS POLIMÉRICOS À BASE DE MONTMORILLONITA – MATERIAIS DE INTERESSE CONTÍNUO
Polymeric bionanocomposites are versatile materials that have many practical applications. The wide use of these materials is mainly due to their structure and properties, which combine at nanometric scale, the functionality of biopolymers with the excellent stability of inorganic solids, such as the clay minerals family. Montmorillonite is the most widely e
Quím. Nova. Publicado em: 2020-12
-
12. Minieditorial: Fragilidade em Pacientes não Idosos Submetidos à Cirurgia Cardíaca
ABSTRACT The existence of soybean varieties and soil type interaction causes differences in productivity of soybean varieties in agroforestry systems with kayu putih. Soil quality parameters (physical, chemical and biological characteristics) will affect the productivity of soybean varieties. The objective of this study was to reveal the relationship between
Arq. Bras. Cardiol.. Publicado em: 2020-10