Photoluminescence in disordered sm-doped PbTiO3: Experimental and theoretical approach

Sm-doped PbTiO3 powder was synthesized by the polymeric precursor method, and was heat treated at different temperatures. The x-ray diffraction, photoluminescence, and UV-visible were used as a probe for the structural order degree short-, intermediate-, and long-range orders. Sm-3+ ions were used as markers of these order-disorder transformations in the PbTiO3 system. From the Rietveld refinement of the Sm-doped PbTiO3 x-ray diffraction data, structural models were obtained and analyzed by periodic ab initio quantum mechanical calculations using the CRYSTAL 98 package within the framework of density functional theory at the B3LYP level. This program can yield important information regarding the structural and electronic properties of crystalline and disordered structures. The experimental and theoretical results indicate the presence of the localized states in the band gap, due to the symmetry break, which is responsible for visible photoluminescence at room temperature in the disordered structure. (c) 2006 American Institute of Physics.

Pb1-xCaxTiO3 solid solution (x=0.0, 0.25, 0.50, and 0.75): A theoretical and experimental approach

In this paper we report an experimental and theoretical study based on a periodic density functional investigation into selected compositions of Pb1-xCaxTiO3 (x=0.0, 0.25, 0.50, and 0.75). Based on our findings, we propose that the pseudocubic structure of these perovskites presents a long-range tendency for cubic symmetry, while the short-range displacements bring the solid solution to a tetragonal symmetry. The results are discussed in terms of x-ray diffraction, structural optimized parameters, Raman spectroscopy, band structure, density of states, Mulliken charge, and overlap population.

Ovariectomy by left flank approach in prepubertal Nelore (Bos indicus) heifers

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

Exploring the binding mechanism of Guaijaverin to human serum albumin: Fluorescence spectroscopy and computational approach

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Structural conditions that leads to photoluminescence emission in SrTiO3: An experimental and theoretical approach

Complex cluster [TiO5 center dot V-O(z)] and [SrO11 center dot V-O(z)] (where V-O(z)=V-O(X), V-O(center dot), V-O(center dot center dot)) vacancies were identified in disordered SrTiO3 powders prepared by the polymeric precursor method, based on experimental measurements by x-ray absorption near edge structure spectroscopy. The paramagnetic complex states of [TiO5 center dot V-O(center dot)] and [SrO11 center dot V-O(center dot)] with unpaired electrons were confirmed by electron paramagnetic resonance spectroscopy. The disordered powders showed strong photoluminescence at room temperature. Structural defects of disordered powders, in terms of band diagram, density of states, and electronic charges, were interpreted using high-level quantum mechanical calculations in the density functional framework. The four periodic models used here were consistent with the experimental data and explained the presence of photoluminescence. (C) 2008 American Institute of Physics.

Mathematical analysis and simulations involving chemotherapy and surgery on large human tumours under a suitable cell-kill functional response

Dosage and frequency of treatment schedules are important for successful chemotherapy. However, in this work we argue that cell-kill response and tumoral growth should not be seen as separate and therefore are essential in a mathematical cancer model. This paper presents a mathematical model for sequencing of cancer chemotherapy and surgery. Our purpose is to investigate treatments for large human tumours considering a suitable cell-kill dynamics. We use some biological and pharmacological data in a numerical approach, where drug administration occurs in cycles (periodic infusion) and surgery is performed instantaneously. Moreover, we also present an analysis of stability for a chemotherapeutic model with continuous drug administration. According to Norton & Simon [22], our results indicate that chemotherapy is less eficient in treating tumours that have reached a plateau level of growing and that a combination with surgical treatment can provide better outcomes.

Reduction of infinite dimensional systems to finite dimensions: Compact convergence approach

We consider parameter dependent semilinear evolution problems for which, at the limit value of the parameter, the problem is finite dimensional. We introduce an abstract functional analytic framework that applies to many problems in the existing literature for which the study of asymptotic dynamics can be reduced to finite dimensions via the invariant manifolds technique. Some practical models are considered to show wide applicability of the theory. © 2013 Society for Industrial and Applied Mathematics.

The functional biogeography of species: Biogeographical species roles of birds in Wallacea and the West Indies

Biogeographical systems can be analyzed as networks of species and geographical units. Within such a biogeographical network, individual species may differ fundamentally in their linkage pattern, and therefore hold different topological roles. To advance our understanding of the relationship between species traits and large-scale species distribution patterns in archipelagos, we use a network approach to classify birds as one of four biogeographical species roles: peripherals, connectors, module hubs, and network hubs. These roles are based upon the position of species within the modular network of islands and species in Wallacea and the West Indies. We test whether species traits - including habitat requirements, altitudinal range-span, feeding guild, trophic level, and body length - correlate with species roles. In both archipelagos, habitat requirements, altitudinal range-span and body length show strong relations to species roles. In particular, species that occupy coastal- and open habitats, as well as habitat generalists, show higher proportions of connectors and network hubs and thus tend to span several biogeographical modules (i.e. subregions). Likewise, large body size and a wide altitudinal range-span are related to a wide distribution on many islands and across several biogeographical modules. On the other hand, species restricted to interior forest are mainly characterized as peripherals and, thus, have narrow and localized distributions within biogeographical modules rather than across the archipelago-wide network. These results suggest that the ecological amplitude of a species is highly related to its geographical distribution within and across bio geographical subregions and furthermore supports the idea that large-scale species distributions relate to distributions at the local community level. We finally discuss how our biogeographical species roles may correspond to the stages of the taxon cycle and other prominent theories of species assembly. © 2013 The Authors.

Functional trophic composition of the ichthyofauna of forest streams in eastern Brazilian Amazon

Este estudo teve como objetivo descrever a organização funcional da fauna de peixes de riachos do nordeste do estado do Pará, Brasil, com base em observações comportamentais das táticas alimentares das espécies. Sete igarapés foram amostrados entre junho e novembro de 2010 por técnicas de observações diretas durante sessões de mergulho livre, totalizando 91h 51min de observação, nos períodos diurno, crepuscular vespertino e noturno. Foram observadas 73 espécies distribuídas em seis ordens, 26 famílias e 63 gêneros, com predomínio de Characiformes, seguidos por Siluriformes. A partir de informações coligidas por observações ad libitum, as espécies foram organizadas em 18 grupos tróficos funcionais (GTFs), de acordo com duas características principais: (1) a tática alimentar observada com maior frequência; e (2) sua distribuição espacial no riacho, considerando suas dimensões lateral (margens e canal central) e vertical (coluna d'água). Os GTFs mais frequentes foram Catadores noturnos de invertebrados (9 espécies), Coletores diurnos de canal (8 spp.), Catadores diurnos de superfície (7 spp.), e Predadores de tocaia e emboscada (6 spp.). Os GTFs aqui definidos possibilitam uma análise comparativa da estrutura e composição da ictiofauna, que representa uma abordagem alternativa ao uso da estrutura taxonômica em estudos ecológicos. A classificação da ictiofauna baseada em GTFs proposta neste trabalho é comparada com outras três classificações, propostas por Sazima (1986), Sabino & Zuanon (1998) e Casatti et al. (2001).

Composition of functional ecological guilds of the fish fauna of the internal sector of the Amazon Estuary, Pará, Brazil

O presente estudo descreve a estrutura espacial e temporal da comunidade de peixes estuarinos da porção interna do estuário Amazônico. Amostras foram obtidas no canal principal e canais de maré das Baías do Guajará e Marajó e rio Guamá. Foram coletados um total de 41.516 espécimes, correspondendo 136 espécies, 38 famílias e 12 ordens. Na estação seca, a salinidade média no canal principal aumentou ao longo do gradiente limnico–marinho, entre o rio Guamá e a Baía do Marajó. A riqueza de espécies foi mais baixa na foz do rio Guamá e na margem direita da baía do Guajará. A composição das espécies e as guildas ambientais diferiram significativamente entre as áreas: Migrantes e Ocasionais de água doce foram dominantes no rio Guamá e na Baía do Guajará, enquanto Estuarinas, Marinhas Migrantes e Ocasionais dominaram na Baía do Marajó. Contudo, as guildas tróficas foram relativamente bem balanceadas, em termos funcionais. Piscívoros e Zoobentívoros foram os grupos alimentares dominantes em todas as áreas. Neste estudo, a avaliação da comunidade e o uso da abordagem com guildas foram eficientes para descrever a estrutura e o funcionamento das assembleias de peixes estuarinos e também como ferramenta na avaliação das pressões antrópicas na área.

The Primary Closure Approach of Dog Bite Injuries of the Nose

The nose holds an outstanding position on the face, acquiring great importance within the context of facial aesthetics. Because of the functional, psychological, and social aspects of trauma in a society increasingly demanding about aesthetics, treatment institution must reduce, as accurate as possible, the sequelae that hinder social integration. This clinical report relates an immediate nasal reconstruction of a complex animal bite wound. A 7-year-old patient was victim of a dog bite with avulsion of the left nasal ala and part of the ipsilateral nasal tip. The treatment was immediate nasal reconstruction with auricular composite graft. After 1 year of follow-up, the shape of nasal ala was stable, and the color was consistent with the surrounding tissue. The 2 nasal sides exhibited satisfactory symmetry when evaluated. It can be concluded that the composite graft derived from the auricular helix is a safe option for reconstruction of nasal ala defects with compromised margins in pediatric patients when conditions of reimplantation do not exist.

Psychometric Properties of the Oral Health Impact Profile and New Methodological Approach

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

Defining functional urban regions in Bahia, Brazil, using roadway coverage and population density variables

The concept of Functional Urban Regions (FURs), also called Metropolitan Regions (MRs), is not simple. It is clear, though, that they are not simply a combination of adjacent municipalities or areas. Different methods can be used for their definition. However, especially in developing countries, the application of some methods is not possible, due to the unavailability of detailed data. Alternative approaches have been developed based on spatial analysis methods and using variables extracted from available data. The objective of this study is to compare the results of two spatial analysis methods exploring two variables: population density and an indicator of transport infrastructure supply. The first method regards Exploratory Spatial Data Analyses tools, which define uniform regions based on specific variables. The second method used the same variables and the spatial analysis technique available in the computer program SKATER - Spatial 'K'luster Analysis by Tree Edge Removal. Assuming that those classifications of regions with similar characteristics can be used for identifying potential FURS, the results of all analyses were compared with one another and with the 'official' MR. A combined approach was also considered for comparison, but none of the results match the existing MR boundaries, what challenges the official definitions. (C) 2014 Elsevier Ltd. All rights reserved.

Post-partum anoestrus in tropical beef cattle: A systems approach combining gene expression and genome-wide association results

The length of the post-partum anoestrous interval affects reproductive efficiency in many tropical beef cattle herds. In this study, results from genome-wide association studies (Experiment 1: GWAS) and gene expression (Experiment 2: microarray) were combined in a systems approach to reveal genetic markers, genes and pathways underlying the physiology of post-partum anoestrus in tropically adapted cattle. The microarray study measured the expression of 13,964 genes in the hypothalamus of Brahman cows. A total of 366 genes were differentially expressed (DE) in the post-partum period, when acyclic cows were compared to cows that had resumed ovarian cycles. Associated markers (P < 0.05) from a high density GWAS pointed to 2829 genes that were associated with post-partum anoestrous interval (PPAI) in two populations of beef cattle: Brahman and Tropical composite. Together the experiments provided evidence for 63 genes that are likely to influence the resumption of ovulation post-partum in tropically adapted beef cattle. Functional annotation analysis revealed that some of the 63 genes have known roles in hormonal activity, energy balance and neuronal synapse plasticity. Polymorphisms within candidate genes identified by this systems approach could have biological significance in post-partum anoestrus and help select Zebu (Bos indicus) influenced cattle with genetic potential for shorter post-partum anoestrus. Crown Copyright (C) 2014 Published by Elsevier B.V. All rights reserved.

Very Intense Distinct Blue and Red Photoluminescence Emission in MgTiO 3 Thin Films Prepared by the Polymeric Precursor Method: An Experimental and Theoretical Approach

MgTiO3 (MTO) thin films were prepared by the polymeric precursor method with posterior spin-coating deposition. The films were deposited on Pt(111)/Ti/SiO2/Si(100) substrates and heat treated at 350 °C for 2 h and then heat treated at 400, 450, 500, 550, 600, 650 and 700 °C for 2 h. The degree of structural order−disorder, optical properties, and morphology of the MTO thin films were investigated by X-ray diffraction (XRD), micro-Raman spectroscopy (MR), ultraviolet− visible (UV−vis) absorption spectroscopy, photoluminescence (PL) measurements, and field-emission gun scanning electron microscopy (FEG-SEM) to investigate the morphology. XRD revealed that an increase in the annealing temperature resulted in a structural organization of MTO thin films. First-principles quantum mechanical calculations based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and disordered asymmetric models. The electronic properties were analyzed, and the relevance of the present theoretical and experimental results was discussed in the light of PL behavior. The presence of localized electronic levels and a charge gradient in the band gap due to a break in the symmetry are responsible for the PL in disordered MTO lattice.