Molecular Systems
Mostrando 1-12 de 1648 artigos, teses e dissertações.
-
1. AOPs são o futuro da ecotoxicologia?
ARE AOPs THE FUTURE OF ECOTOXICOLOGY? AOPs (Adverse Outcome Pathways) were introduced in the field of ecotoxicology due to the need of replacement of the classic system for assessing adverse results (considering only the mortality of organisms exposed to certain substances or mixtures) to a predictive system based on the measurement of biological events occu
Química Nova. Publicado em: 2022
-
2. Polyacrylamides as co-depressant in hematite and quartz microflotation
Abstract In the present study, microflotation experiments were performed on pure minerals systems involving hematite and quartz in the presence of etherdiamine as collector. The influence of polyacrylamides as co-depressant was investigated in a blend with starch depressant. The results obtained demonstrated that all the polyacrylamides used were efficient i
REM, Int. Eng. J.. Publicado em: 2021-09
-
3. In silico Evaluation of Cucurbit[6]uril as a Potential Detector for Cocaine and Its Adulterants Lidocaine, Caffeine, and Procaine
Illicit drugs and their trafficking require worldwide efforts in investigation, detection, and control. Colorimetric tests are often applied to identify drugs. Cocaine has some well-known adulterants that can provide a false positive response. Cucurbit[6]uril (CB[6]) has been suggested as a potential detector for cocaine and other illicit drugs. This work us
J. Braz. Chem. Soc.. Publicado em: 2021-04
-
4. COMPARAÇÃO ENTRE MÉTODOS PARA DETERMINAÇÃO DE CARGAS ATÔMICAS EM SISTEMAS MOLECULARES: A MOLÉCULA N-{N-(PTERINA-7-IL)CARBONILGLICIL}-L-TIROSINA (NNPT)
Selecting a method to compute partial atomic charges is not trivial because different methods usually provide different charge values and there is no consensus on the most useful approach. In this work, Mulliken, MBS, Chelp, Chelpg, MK, Hirshfeld, NPA, DMA and AIM methods were selected to compute atomic charges and electric dipole moment vector of N-{N-(Pter
Quím. Nova. Publicado em: 2021-02
-
5. Molecular mechanisms of organ damage in sepsis: an overview
ABSTRACT Sepsis is one of the most common reasons for hospitalization. This condition is characterized by systemic inflammatory response to infection. International definition of sepsis mainly points out a multi-organ dysfunction caused by a deregulated host response to infection. An uncontrolled inflammatory response, often referred to as "cytokine storm",
Braz J Infect Dis. Publicado em: 2020-12
-
6. Supramolecular Approach in Energy Conversion Devices
This review summarizes investigations carried out at the Laboratory of Photochemistry and Energy Conversion (LFCE) in the University of São Paulo dealing with design and characterization of ruthenium(II), rhenium(I) and iridium(III) polypyridine complexes with desired photochemical and photophysical properties in light of the development of optoelectronics
J. Braz. Chem. Soc.. Publicado em: 2020-11
-
7. Theoretical Calculations on the Mechanism of Hydrogenation of Diphenylacetylene over Pdn (n = 1-4) Clusters
Diphenylacetylene (DPA) is a precursor of stilbene and benzil, and reduction of DPA or its derivatives with metallic reagents is both an old and contemporary topic of research. By means of density function theory (DFT) calculations, a detailed investigation of the mechanism of the hydrogenation of DPA over Pd clusters was carried out at the molecular level.
J. Braz. Chem. Soc.. Publicado em: 2020-10
-
8. Liquid whey protein concentrates as primary raw material for acid dairy gels
Abstract The replacement of dehydrated products such as whey protein concentrates and isolates (WPC and WPI) by liquid whey protein concentrates (LWPC) obtained by ultrafiltration can be an excellent alternative for the production of innovative dairy products. Thus, the aim of this work is to study the gelation properties of LWPC as raw material for acid-ind
Food Sci. Technol. Publicado em: 2020-06
-
9. ANÁLISE ESPECTROSCÓPICA DA MATÉRIA ORGÂNICA NO SEDIMENTO SUPERFICIAL DA BAÍA DE SEPETIBA, RIO DE JANEIRO, BRASIL
Spectroscopic techniques are powerful tools for molecular organic matter assessment in sediments, which analysis request low sample mass and are cheap, fast and easy to obtain. The aim of this work was to evaluate the elemental (C, N) and molecular composition of the organic matter in relation to the grain-size distribution over surface sediments from Sepeti
Quím. Nova. Publicado em: 2020-05
-
10. ESQUARAÍNAS CIS E TRANS SUBSTITUÍDAS: APLICAÇÃO EXPERIMENTAL DA TEORIA DE GRUPO EM ESPECTROSCOPIA VIBRACIONAL
This work shows a practical application of the group theory to a relatively simple molecular system, as well its impact in the results obtained through vibrational spectroscopic techniques. Squaraines substituted by dicyanemethylene groups have been extensively studied, and after minor approaches in the sense to facilitate the point group determination, they
Quím. Nova. Publicado em: 05/12/2019
-
11. Inclusion complexes and self-assembled cyclodextrin aggregates for increasing the solubility of benzimidazoles
Albendazole and fenbendazole are imidazole derivatives that exhibit broad spectrum activity against parasites, but the low solubility of these drugs considerably reduces their effectiveness. Complexation of albendazole and fenbendazole with cyclodextrins (β-cyclodextrin and hydroxypropyl-β-cyclodextrin) in both water and an aqueous solution of polyvinylpyr
Braz. J. Pharm. Sci.. Publicado em: 25/11/2019
-
12. Liquid whey protein concentrates as primary raw material for acid dairy gels
Abstract The replacement of dehydrated products such as whey protein concentrates and isolates (WPC and WPI) by liquid whey protein concentrates (LWPC) obtained by ultrafiltration can be an excellent alternative for the production of innovative dairy products. Thus, the aim of this work is to study the gelation properties of LWPC as raw material for acid-ind
Food Sci. Technol. Publicado em: 25/11/2019