A polaronic stacking fault defect model for CaCu3Ti4O12 material: an approach for the origin of the huge dielectric constant and semiconducting coexistent features

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Photoluminescent behavior of SrZrO3/SrTiO3 multilayer thin films

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

The role of defect states in the creation of photoluminescence in SrTiO3

We discuss the nature of visible photoluminescence at room temperature in amorphous strontium titanate in the light of the results of a recent experimental and quantum mechanical theoretical study. Our calculation of the electronic structure involves the use of first-principles molecular calculations to simulate the variation of the electronic structure in the strontium titanate crystalline phase, which is known to have a direct band gap, and we also make an in-depth examination of amorphous strontium titanate. The results of our simulations of amorphous strontium titanate indicate that the formation of five-fold coordination in the amorphous system may introduce delocalized electronic levels in the highest occupied molecular orbital and the lowest unoccupied molecular orbital. These delocalized electronic levels are ascribed to the formation of a tail in the absorbance-spectrum curve. Optical absorption measurements experimentally showed the presence of a tail. The results are interpreted by the nature of these exponential optical edges and tails associated with defects promoted by the disordered structure of the amorphous material. We associate them with localized states in the band gap.

The role of network modifiers in the creation of photoluminescence in CaTiO3

We discuss the nature of visible photoluminescence (PL) at room temperature in amorphous calcium titanate in the light of the results of recent experimental and quantum mechanical theoretical studies. Our investigation of the electronic structure involved the use of first-principle molecular calculations to simulate the variation of the electronic structure in the calcium titanate crystalline phase, which is known to have a direct band gap, and we also made an in-depth examination of amorphous calcium titanate. The results of our theoretical calculations of amorphous calcium titanate indicate that the formation of fivefold coordination in the amorphous system may introduce delocalized electronic levels in the highest occupied and the lowest unoccupied molecular orbitals. These delocalized electronic levels are related to the formation of a tail in the absorbance spectrum curve. The results indicate that amorphous calcium titanate has the conduction band near the band gap dominated by Ca states contribution. Experimental optical absorption measurements showed the presence of a tail. These results are interpreted by the nature of these exponential optical edges and tails, associated with defects promoted by the disordered structure of the amorphous material. We associate them with delocalized states in the band gap. (C) 2002 Elsevier B.V. B.V. All rights reserved.

Photoluminescent property of mechanically milled BaWO4 powder

Crystalline BaWO4 (BWO) powder obtained by the polymeric precursor method was structurally disordered by means of high-energy mechanical milling. For the first time a strong and broad photoluminescence (PL) has been measured at room temperature for mechanically milled BWO powder and interpreted by ground-state quantum mechanical calculations in the density functional theory framework. Two periodic models have been studied; one representing the crystalline form and the other one representing the disordered BWO powder. These models allowed the calculation of electronic properties, which are consistent with the experimental results, showing that structural disorder in the lattice is an important condition to generate an intense and broad PL band. (c) 2006 Elsevier B.V. All rights reserved.

Transposable elements in Coffea (Gentianales : Rubiacea) transcripts and their role in the origin of protein diversity in flowering plants

Transposable elements are major components of plant genomes and they influence their evolution, acting as recombination hot spots, acquiring specific cell functions or becoming part of protein-coding regions. The latter is the subject of the present analysis. This study is a report on the annotation of transposable elements (TEs) in expressed sequences of Coffea arabica, Coffea canephora and Coffea racemosa, showing the occurrence of 383 ESTs and 142 unigenes with TE fragments in these three Coffea species. Based on selected unigenes, it was possible to suggest 26 putative proteins with TE-cassette insertions, demonstrating a likely contribution to protein variability. The genes for two of those proteins, the fertility restorer (FR) and the pyrophosphate-dependent phosphofructokinase (PPi-PFKs) genes, were selected for evaluating the impact of TE-cassettes on host gene evolution of other plant genomes (Arabidopsis thaliana, Oryza sativa and populus trichocarpa). This survey allowed identifying a FR gene in O. sativa harboring multiple insertions of LTR retrotransposons that originated new exons, which however does not necessarily mean a case of molecular domestication. A possible transduction event of a fragment of the PPi-PFK beta-subunit gene mediated by Helitron ATREPX1 in Arabidopsis thaliana was also highlighted.

Origin of nuclear and chromosomal alterations derived from the action of an aneugenic agent-Trifluralin herbicide

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

On the Origin of Cattle: How Aurochs Became Cattle and Colonized the World

Since their domestication in the Neolithic, cattle have belonged to our cultural heritage. The reconstruction of their history is an active field of research 1 that contributes to our understanding of human history. Archeological data are now supplemented by analyses of modern and ancient samples of cattle with DNA markers of maternal, paternal, or autosomal inheritance. The most recent genetic data suggest that maternal lineages of taurine cattle originated in the Fertile Crescent with a possible contribution of South-European wild cattle populations, while zebu cattle originate from the Indus Valley. Subsequently, cattle accompanied human migrations, which led to the dispersal of domestic cattle of taurine, indicine, or mixed origin over Asia, Africa, Europe, and the New World. This has resulted in their adaptation to different environments and considerable variation in appearance and performance. More recently, rational management of breeding led to international movements of sires, which again changed the global patterns of genetic diversity.

Determination of the geographical origin of Brazilian wines by isotope and mineral analysis

In the present research, we studied wines from three different south Brazilian winemaking regions with the purpose of differentiating them by geographical origin of the grapes. Brazil's wide territory and climate diversity allow grape cultivation and winemaking in many regions of different and unique characteristics. The wine grape cultivation for winemaking concentrates in the South Region, mainly in the Serra GaA(0)cha, the mountain area of the state of Rio Grande do Sul, which is responsible for 90% of the domestic wine production. However, in recent years, two new production regions have developed: the Campanha, the plains to the south and the Serra do Sudeste, the hills to the southeast of the state. Analysis of isotopic ratios of (18)O/(16)O of wine water, (13)C/(12)C of ethanol, and of minerals were used to characterize wines from different regions. The isotope analysis of delta(18)O of wine water and minerals Mg and Rb were the most efficient to differentiate the regions. By using isotope and mineral analysis, and discrimination analysis, it was possible to classify the wines from south Brazil.

Evolution of photoluminescence as a function of the structural order or disorder in CaMoO4 nanopowders

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Affine Lie algebraic origin of constrained KP hierarchies

An affine sl(n + 1) algebraic construction of the basic constrained KP hierarchy is presented. This hierarchy is analyzed using two approaches, namely linear matrix eigenvalue problem on hermitian symmetric space and constrained KP Lax formulation and it is shown that these approaches are equivalent. The model is recognized to be the generalized non-linear Schrödinger (GNLS) hierarchy and it is used as a building block for a new class of constrained KP hierarchies. These constrained KP hierarchies are connected via similarity-Bäcklund transformations and interpolate between GNLS and multi-boson KP-Toda hierarchies. Our construction uncovers the origin of the Toda lattice structure behind the latter hierarchy. © 1995 American Institute of Physics.

Phytochemical evidence for the plant origin of Brazilian propolis from Sao Paulo state

Propolis and plant secretions from three species, most frequently mentioned as botanical sources of the bee glue in Brazil (Baccharis dracunculifolia, Araucaria angustifolia and Eucalyptus citriodora) have been investigated using GC-MS. Based on chemical evidence, B. dracunculifolia was shown to be the main propolis source in Sao Paulo state. The antibacterial and antifungal activities of all four materials were also tested, the most active being propolis and Baccharis leaf exudate.