Chemical Interactions
Mostrando 1-12 de 785 artigos, teses e dissertações.
-
1. A New Synthetic Route and Comprehensive Topological Study of a Benzimidazole Derivative
Benzimidazole and its derivatives are molecules that have diverse biological properties, therefore we synthesized and studied a new benzimidazole to understand their physical/chemical properties. The compound was obtained through a new synthetic route, using graphite oxide, in the absence of solvent, with crystalline packaging supported by C-H…N and C-H…
Journal of the Brazilian Chemical Society. 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. 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
-
4. Aprendizagem cooperativa e colaborativa no ensino de equilíbrio químico a calouros
COOPERATIVE AND COLLABORATIVE LEARNING TO TEACH CHEMICAL EQUILIBRIUM TO FRESHMAN STUDENTS. This paper describes cooperative (jigsaw) and collaborative activities (Peer-Led Team Learning) carried out in the BSc degree in Chemistry at the São Carlos Institute of Chemistry, the University of São Paulo, Brazil. The dynamics of discursive interactions establish
Química Nova. Publicado em: 2022
-
5. 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
-
6. A Systematic Pipeline to Enhance the Fecal Metabolome Coverage by LC-HRMS
The comprehended knowledge of the metabolic profile of the fecal matter has been recognized as an important point for understanding metabolic changes in the human systemic metabolism and it can provide precious information about host-gut microbiota interactions. However, few analytical strategies have been addressed for a broad analysis of metabolites with d
J. Braz. Chem. Soc.. Publicado em: 2021-07
-
7. 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
-
8. Solventes eutéticos naturais profundos (NADES) no preparo de amostras de rocha fosfática e suplemento mineral para determinação elementar por técnicas de plasma
Natural deep eutectic solvents (NADES) based on xylitol, citric acid, and malic acid were synthesized and used in ultrasound-assisted extraction (UAE) and heating-bath extraction of phosphate rock and mineral supplement samples. Arsenic, Ca, Cd, Cr, Cu, Fe, K, Mg, Mn, Na, P and Zn were determined by inductively coupled plasma mass spectrometry (ICP-MS) and i
Quím. Nova. Publicado em: 2021-06
-
9. A IMPORTÂNCIA DAS CUMARINAS PARA A QUÍMICA MEDICINAL E O DESENVOLVIMENTO DE COMPOSTOS BIOATIVOS NOS ÚLTIMOS ANOS
Coumarins are natural products characterized as 2H-chromen-2-one, according to IUPAC nomenclature, largely distributed in plants, as well as, in species of fungi and bacteria. Nowadays, many synthetic procedures allow the discovery of coumarins with expanded chemical space. The ability to exert non-covalent interactions with many enzymes and receptors in liv
Quím. Nova. Publicado em: 2021-02
-
10. What is the best Cardiovascular Risk Score for the Brazilian Population?
Malaria, a parasitic infection caused by Plasmodium falciparum, is a serious global public health problem. The enzyme enoyl-acyl carrier protein (ACP) reductase present in a limiting step in the biosynthesis of fatty acids type II was used to search for novel molecules with potential inhibitor by virtual screening techniques. A flavonoid library obtained in
Int. J. Cardiovasc. Sci.. Publicado em: 2020-12
-
11. Identification of Flavonoids as Inhibitors of Plasmodium falciparum Enoyl-ACP Reductase by Hierarchical Virtual Screening
Malaria, a parasitic infection caused by Plasmodium falciparum, is a serious global public health problem. The enzyme enoyl-acyl carrier protein (ACP) reductase present in a limiting step in the biosynthesis of fatty acids type II was used to search for novel molecules with potential inhibitor by virtual screening techniques. A flavonoid library obtained in
J. Braz. Chem. Soc.. Publicado em: 2020-12
-
12. NANOMATERIAIS PLASMÔNICOS: PARTE II. QUÍMICA DE COORDENAÇÃO DE SUPERFÍCIE E SUA APLICAÇÃO EM SENSORES E CATALISADORES
In this second part we will discuss how surface chemistry properties of plasmonic nanomaterials can be tailored by applying coordination chemistry, supramolecular and materials chemistry approaches, in which nanoparticles with well-controlled features conjugated with properly chosen molecules are the basis of functional organized structures that can be appli
Quím. Nova. Publicado em: 2020-12