Desenvolvimento de modelos para flavonoides e cumarinas utilizando o campo de força CGenFF

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Orange pectin mediated growth and stability of aqueous gold and silver nanocolloids

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Local order and magnetic field effects on the electronic properties of disordered binary alloys in the quantum site percolation limit

Electronic properties of disordered binary alloys are studied via the calculation of the average Density of States (DOS) in two and three dimensions. We propose a new approximate scheme that allows for the inclusion of local order effects in finite geometries and extrapolates the behavior of infinite systems following finite-size scaling ideas. We particularly investigate the limit of the Quantum Site Percolation regime described by a tight-binding Hamiltonian. This limit was chosen to probe the role of short range order (SRO) properties under extreme conditions. The method is numerically highly efficient and asymptotically exact in important limits, predicting the correct DOS structure as a function of the SRO parameters. Magnetic field effects can also be included in our model to study the interplay of local order and the shifted quantum interference driven by the field. The average DOS is highly sensitive to changes in the SRO properties and striking effects are observed when a magnetic field is applied near the segregated regime. The new effects observed are twofold: there is a reduction of the band width and the formation of a gap in the middle of the band, both as a consequence of destructive interference of electronic paths and the loss of coherence for particular values of the magnetic field. The above phenomena are periodic in the magnetic flux. For other limits that imply strong localization, the magnetic field produces minor changes in the structure of the average DOS. © World Scientific Publishing Company.

Control of red-gum lerp psyllid with formulated mycoinsecticides under semi-field conditions

This study evaluated the potential use of commercial mycoinsecticide formulations against red-gum lerp psyllid Glycaspis brimblecombei Moore in semi-field conditions. Eucalypt seedlings infested with psyllid nymphs were sprayed with different formulations and two concentrations of each product. Conidial deposits were evaluated after spraying for control efficiency. The conidial deposit was affected by the pathogen species and by formulation types. Higher conidial deposits were associated with mycoinsecticide formulation concentrates of lower granulometry and oil dispersion. However, some products with low deposits of conidia were highly efficient against psyllid nymphs. The results showed that the use of entomopathogenic fungi is a promising alternative method for controlling the red-gum lerp psyllid.

Modelos lineares generalizados bayesianos para dados longitudinais

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Highly corrosion resistant siloxane-polymethyl methacrylate hybrid coatings

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Highly ordered TiO2 nanotube arrays and photoelectrocatalytic oxidation of aromatic amine

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Efficient flotation of yeast cells grown in batch culture

A fast flotation assay was used to select new floating yeast strains. The flotation ability did not seem to be directly correlated to total extracellular protein concentration of the culture. However, the hydrophobicity of the cell was definitely correlated to the flotation capacity. The Saccharomyces strains (FLT strains) were highly hydrophobic and showed an excellent flotation performance in batch cultures without additives (flotation agents) and with no need for a special flotation chamber or flotation column. A stable and well-organized structure was evident in the dried foam as shown by scanning electron microscopy which revealed its unique structure showing mummified cells (dehydrated) attached to each other. The attachment among the cells and the high protein concentration of the foams indicated that proteins might be involved in the foam formation. The floating strains (strains FLT) which were not flocculent and showed no tendency to aggregate, were capable of growing and producing ethanol in a synthetic medium containing high glucose concentration as a carbon source. The phenomenon responsible for flotation seems to be quite different from the flocculation phenomenon. (C) 1996 John Wiley & Sons, Inc.

Very large dielectric constant of highly oriented Pb1-xBaxTiO3 thin films prepared by chemical deposition

Highly (100) oriented Pb0.8Ba0.2TiO3/LaNiO3 structures were grown on LaAlO3(100) substrates by using a wet, soft chemical method and crystallized by the microwave oven technique. The Au/PBT/LaNiO3/LaAlO3 capacitor shows a hysteresis loop with remnant polarization, P-r, of 15 muC/cm(2), and coercive field, E-c, of 47 kV/cm at an applied voltage of 3 V, along with a dielectric constant over 1800. Atomic force microscopy showed that Pb0.8Ba0.2TiO3 is composed of large grains about 300 nm. The experimental results demonstrated that the microwave preparation is rapid, clean, and energy efficient. Therefore, we demonstrated that the combination of the soft chemical method with the microwave process is a promising technique to grow highly oriented thin films with excellent dielectric and ferroelectric properties, which can be used in various integrated device applications. (C) 2004 American Institute of Physics.

Sulfur-containing palladacycles: Efficient phosphine-free catalyst precursors for the Suzuki cross-coupling reaction at room temperature

Cyclopalladated compounds derived from the ortho-metalation of benzylic tert-butyl thioethers are excellent catalyst precursors for the Suzuki cross-coupling reaction of aryl bromides and chlorides with phenylboronic acid under mild reaction conditions. A broad range of substrates and functional groups are tolerated in this protocol, and highly catalytic activity is attained.

Theoretical and experimental spectroscopic studies of the first highly luminescent binuclear hydrocinnamate of Eu(III), Tb(III) and Gd(III) with bidentate 2,2 '-bipyridine ligand

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)