Experimental and theoretical study on the structure, optical properties, and growth of metallic silver nanostructures in Ag3PO4

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Effect of pressure-assisted heat treatment on photoluminescence emission of α-Bi2O3 needles

Materials with high photoluminescence (PL) intensity can potentially be used in optical and electronic devices. Although the PL properties of bismuth(III) oxide with a monoclinic crystal structure (α-Bi2O3) have been explored in the past few years, methods of increasing PL emission intensity and information relating PL emission to structural defects are scarce. This research evaluated the effect of a pressure-assisted heat treatment (PAHT) on the PL properties of α-Bi2O3 with a needlelike morphology, which was synthesized via a microwave-assisted hydrothermal (MAH) method. PAHT caused an angular increase between the [BiO6]-[BiO6] clusters of α-Bi2O3, resulting in a significant increase in the PL emission intensity. The Raman and XPS spectra also showed that the α-Bi2O3 PL emissions in the low-energy region (below ∼2.1 eV) are attributed to oxygen vacancies that form defect donor states. The experimental results are in good agreement with first-principles total-energy calculations that were carried out within periodic density functional theory (DFT).

Inflation in supergravity and the volume modulus

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Tópicos em teoria das perturbações cosmológicas

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estudo da modificação da fotoluminescência em α-Bi2O3 após tratamento térmico assistido por pressão

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

First Report on Rotenoids as Neurotoxic Principles of Seeds from Aeschynomene indica (Leguminosae)

Toxic principles from seeds of Aeschynomene indica collected in Brazil were analyzed. Dalpanol, 12 alpha-hydroxydalpanol and 11-hydroxydalpanol were identified using (1)H NMR in A. indica for the first time. 11-hydroxydalpanol has not been previously reported in the existing literature. Furthermore these rotenoids are likely the toxic principles that cause neurological signs in mice.

First quantized approaches to neutrino oscillations and second quantization

Neutrino oscillations are treated from the point of view of relativistic first quantized theories and compared to second quantized treatments. Within first quantized theories, general oscillation probabilities can be found for Dirac fermions and charged spin 0 bosons. A clear modification in the oscillation formulas can be obtained and its origin is elucidated and confirmed to be inevitable from completeness and causality requirements. The left-handed nature of created and detected neutrinos can also be implemented in the first quantized Dirac theory in the presence of mixing; the probability loss due to the changing of initially left-handed neutrinos to the undetected right-handed neutrinos can be obtained in analytic form. Concerning second quantized approaches, it is shown in a calculation using virtual neutrino propagation that both neutrinos and antineutrinos may also contribute as intermediate particles. The sign of the contributing neutrino energy may have to be chosen explicitly without being automatic in the formalism. At last, a simple second quantized description of the flavor oscillation phenomenon is devised. In this description there is no interference terms between positive and negative components, but it still gives simple normalized oscillation probabilities. A new effect appearing in this context is an inevitable but tiny violation of the initial flavor of neutrinos. The probability loss due to the conversion of left-handed neutrinos to right-handed neutrinos is also presented.

All electron fully relativistic Dirac-Fock calculation for darmstadtium carbide using prolapse free basis set

For the first time, ab inito all electron fully relativistic and correlated Dirac-Fock calculations with prolapse free basis set are reported for a Super Heavy Element. We investigated the relativistic effects on bonding and on some spectroscopic constants for the darmstadtium carbide and our results at DF/CCSD(T) with a prolapse free basis set suggest for R-e, omega(e) and D-e the values of 174 pm, 1114 cm(-1) and 7.29 eV, respectively. These values are very similar to the values for PtC found on literature. It was also found that prolapse free basis set may be important to estimate the dissociation energy using Relativistic 4-components correlated methods. (c) 2007 ELsevier B.V. All rights reserved.

APPROXIMATE CALCULATION OF SUMS I: BOUNDS FOR THE ZEROS OF GRAM POLYNOMIALS

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Improvements in the score matrix calculation method using parallel score estimating algorithm

The increasing amount of sequences stored in genomic databases has become unfeasible to the sequential analysis. Then, the parallel computing brought its power to the Bioinformatics through parallel algorithms to align and analyze the sequences, providing improvements mainly in the running time of these algorithms. In many situations, the parallel strategy contributes to reducing the computational complexity of the big problems. This work shows some results obtained by an implementation of a parallel score estimating technique for the score matrix calculation stage, which is the first stage of a progressive multiple sequence alignment. The performance and quality of the parallel score estimating are compared with the results of a dynamic programming approach also implemented in parallel. This comparison shows a significant reduction of running time. Moreover, the quality of the final alignment, using the new strategy, is analyzed and compared with the quality of the approach with dynamic programming.