Density functional theory study on the structural and electronic properties of low index rutile surfaces for TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 composite systems

The present study is concerned with the structural and electronic properties of the TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 composite systems. Periodic quantum mechanical method with density functional theory at the B3LYP level has been carried out. Relaxed surface energies, structural characteristics and electronic properties of the (I 10), (0 10), (10 1) and (00) low-index rutile surfaces for TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 models are studied. For, comparison purposes, the bare rutile TiO2 and SnO2 structures are also analyzed and compared with previous theoretical and experimental data. The calculated surface energy for both rutile TiO2 and SnO2 surfaces follows the sequence (110) < (010) < (101) < (001) and the energy increases as (010) < (101) < (110) < (001) and (010) approximate to (110) < (101) < (001) for SnO2/TiO2/SnO2 and TiO2/SnO2/TiO2 composite systems, respectively. SnO2/TiO2/SnO2 presents larger values of surface energy than the individual SnO2 and TiO2 metal oxides and the TiO2/SnO2/TiO2 system renders surface energy values of the same order that the TiO2 and lower than the SnO2. An analysis of the electronic structure of the TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 systems shows that the main characteristics of the upper part of the valence bands for all the studied surfaces are dominated by the external layers, i.e., by the TiO2 and the SnO2, respectively, and the topology of the lower part of the conduction bands looks like the core layers. There is an energy stabilization of both valence band top and conduction band bottom for (110) and (010) surfaces of the SnO2/TiO2/SnO2 composite system in relation to their core TiO2, whereas an opposite trend is found for the same surfaces of the TiO2/SnO2/TiO2 composite system in relation to the bare SnO2. The present theoretical results may explain the growth of TiO2@SnO2 bimorph composite nanotape.

Foraging, diet and community structure in an epigaeic ant (Hymenoptera: Formicidae) assemblage: the role of recruitment

The significance of recruitment systems for community structure of epigaeic ants in a tropical upland forest in southern Brazil was evaluated by examining patterns of spatial occurrence at fixed points. Normal exploratory activity was evaluated with pitfall traps, while the effect of recruitment and diet was evaluated by using honey and sardine baits at the same points. Through techniques developed for environmental impact assessment, the significance of recruitment was evaluated following perturbation, or the placement of bait. Of the 46 species encountered, 15 were sufficiently frequent to study. Of these, only 6 showed significant spatial frequency changes at baits when compared with pitfall trap collections. In one analysis, monthly differences were important for a few smaller species, suggesting thermic limitations, while bait types either increased or decreased spatial point usage. The magnitude of spatial point variation is an index for the strength of recruitment in community organization. Bait types suggest nutritional possibilities of each species. Both recruitment and diet are probably functions of the species composition of the ant community.

Foraging Behavior and Subtask Hierarchical Structure in Acromyrmex spp. (Hymenoptera: Formicidae)

This study considers the function and complexity of tasks during foraging of three Acromyrmex species. Foraging was classified as a team task composed of 2 or 3 processes: recruitment, selection, and collection. Each process was subdivided into different subtasks. Points were attributed to subtasks considering their hierarchical level to compare the complexity of foraging among species. Total scores obtained were 19 for A. balzani and 14 for A. crassispinus and A. rugosus, indicating different degrees of social complexity for grass-cutting and leaf-cutting ant species. Acromyrmex balzani, a grass-cutting ant species, shows a behavioral repertoire composed of more variable subtasks during foraging.

The influence of fruit morphology and habitat structure on ant-seed interactions: A study with artificial fruits

Artificial fruits designed to simulate lipid-rich non-myrecochorous diaspores were used to test for the effect of fruit morphology and habitat structure on ant-seed interactions in an Atlantic Forest site in SE Brazil. The outcome of the interaction (i.e., if the fruit was removed, cleaned by ants on the spot or had no interaction with ants) and the time of ant response were the investigated variables. Models simulating drupes and arilate diaspores were used to test for morphological effects and four habitat attributes (litter depth, number of logs, number of trees, and percentage of bromeliad coverage on the forest floor), likely to be correlated with the ant diversity and abundance in the study site, were measured to test for the effect of habitat structure. The proportion of fruits removed or cleaned did not differ between the two morphological models. Sites in which fruits were cleaned had more trees than those in which no interaction occurred. This may be a result of the foraging behavior of arboreal ants that frequently descend to the forest floor to exploit fleshy diaspores. Sites in which model removal occurred had lower litter depth than both those in which models were cleaned and those in which no interaction occurred. A negative correlation was observed between litter depth and ant response time. Accumulation of leaf litter at a given point may have constrained the movements of large ants in general, and ponerine ants (that are important seed removers) in particular. We conclude that that local pattern in litter depth and tree density influence the frequency and outcome of interactions between ants and non-myrmecochorous, fleshy diaspores.

Structure of the spermatheca in five families of isoptera

The structure of the spermatheca was investigated in specimens of five termite families with the aid of light microscopy. In longitudinal section, the spermatheca of Zootermopsis nevadensis (Termopsidae) showed the shape of an umbrella with a secretory portion and duct. The other termite species, which belong to the families Kalotermitidae, Serritermitidae, Rhinotermitidae and Termitidae showed a spermatheca constituted only by the secretory portion. This structure was an elongate, fingerlike tube with a recurved and blind extremity. The spermatheca wall was composed of a single epithelium formed by class 3 secretory cells with a lumen lined by cuticle. The cuticle was thin and smooth or thick with digitiform projections in the species examined. All the termite females showed bundles of musculature outside of the spermatheca.

Structure and properties of Ti4+-Ureasil organic-inorganic hybrids

Hybrid planar waveguides were prepared from Ti4+-acetylacetone (acac)-Ureasil sols deposited on glass substrates. Structural features have been investigated by spectroscopic measurements (Fourier Transform Infrared Spectroscopy (FTIR), X-ray Photoelectron Spectroscopy (XPS) and Raman scattering) and Small Angle X-ray Scattering (SAXS). Addition of Ti 4+-acac to the ureasil (Ti:Si molar ratio 1:1) leads to the formation of bonds between the Ti complex and the siloxane groups, whereas further addition of Ti4+ (Ti:Si molar ratio 5:1) leads to the additional formation of titanium-rich nanoclusters. The optical parameters of the waveguides such as refractive index, thickness, propagating modes and attenuation coefficient were measured at 632.8, 543.5 and 1550 nm by the prism coupling technique. The refractive index can be tuned by the Ti4+ relative content. The few microns thick planar waveguides support well confined propagating modes with low attenuation loss for all compositions. ©2006 Sociedade Brasileira de Química.

Damage detection in a benchmark structure using AR-ARX models and statistical pattern recognition

Structural health monitoring (SHM) is related to the ability of monitoring the state and deciding the level of damage or deterioration within aerospace, civil and mechanical systems. In this sense, this paper deals with the application of a two-step auto-regressive and auto-regressive with exogenous inputs (AR-ARX) model for linear prediction of damage diagnosis in structural systems. This damage detection algorithm is based on the. monitoring of residual error as damage-sensitive indexes, obtained through vibration response measurements. In complex structures there are. many positions under observation and a large amount of data to be handed, making difficult the visualization of the signals. This paper also investigates data compression by using principal component analysis. In order to establish a threshold value, a fuzzy c-means clustering is taken to quantify the damage-sensitive index in an unsupervised learning mode. Tests are made in a benchmark problem, as proposed by IASC-ASCE with different damage patterns. The diagnosis that was obtained showed high correlation with the actual integrity state of the structure. Copyright © 2007 by ABCM.

Reconstruction of the Environmental Quality Fuzzy Index

In the world stage, the environmental condition has been a big public policies issue. A clear understanding of the parameters that determine the state of the environment is essential for estimation of the quality of life of the population, not least since ecosystems are highly complex. Consequently, definition of public policies demands the use of evaluation tools that can combine and quantify information in a clear way. The use of indicators and indices that are able to translate the complexity of environmental conditions in cities into simpler terms has been increasingly effective in decision-making, since they assist in general evaluation of the situation in question, identification of priority actions and anticipation of future trends. In an attempt to evaluate the environmental conditions of the Brazilian city, Sorocaba, an Environmental Quality Fuzzy Index (IFQAmb) was proposed. In this work this methodology is improved. After reviewing the IFQAmb methodology, a number of changes in the index are proposed. Additional variables are suggested, derived from a State Environment Department program whose objective is to grant municipalities the title of Municipio Verde e Azul (Green and Blue City). In addition, a new rule base is being drafted to enable consideration of all possibilities, since in the existing version the use of specific criteria eliminates a significant number of rules. The changes seek to define with clarity and precision the conceptual aspects and structure of the IFQAmb, so that it can provide an even more effective evaluation of environmental performance, guiding future actions in order to improve the living conditions of the population of Sorocaba.

The structure of bird communities in areas revegetated after mining in southern Brazil

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Validation of the Geriatric Oral Health Assessment Index in complete denture wearers

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

Combining plant and bird data increases the accuracy of an Index of Biotic Integrity to assess conservation levels of tropical forest fragments

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

On suppression of chaotic motions of a portal frame structure under non-ideal loading using a magneto-rheological damper

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

The sigma-isotypic decomposition and the sigma-index of reversible-equivariant systems

This work is concerned with dynamical systems in presence of symmetries and reversing symmetries. We describe a construction process of subspaces that are invariant by linear Gamma-reversible-equivariant mappings, where Gamma is the compact Lie group of all the symmetries and reversing symmetries of such systems. These subspaces are the sigma-isotypic components, first introduced by Lamb and Roberts in (1999) [10] and that correspond to the isotypic components for purely equivariant systems. In addition, by representation theory methods derived from the topological structure of the group Gamma, two algebraic formulae are established for the computation of the sigma-index of a closed subgroup of Gamma. The results obtained here are to be applied to general reversible-equivariant systems, but are of particular interest for the more subtle of the two possible cases, namely the non-self-dual case. Some examples are presented. (C) 2011 Elsevier BM. All rights reserved.

Structure-semantics interplay in complex networks and its effects on the predictability of similarity in texts

The classification of texts has become a major endeavor with so much electronic material available, for it is an essential task in several applications, including search engines and information retrieval. There are different ways to define similarity for grouping similar texts into clusters, as the concept of similarity may depend on the purpose of the task. For instance, in topic extraction similar texts mean those within the same semantic field, whereas in author recognition stylistic features should be considered. In this study, we introduce ways to classify texts employing concepts of complex networks, which may be able to capture syntactic, semantic and even pragmatic features. The interplay between various metrics of the complex networks is analyzed with three applications, namely identification of machine translation (MT) systems, evaluation of quality of machine translated texts and authorship recognition. We shall show that topological features of the networks representing texts can enhance the ability to identify MT systems in particular cases. For evaluating the quality of MT texts, on the other hand, high correlation was obtained with methods capable of capturing the semantics. This was expected because the golden standards used are themselves based on word co-occurrence. Notwithstanding, the Katz similarity, which involves semantic and structure in the comparison of texts, achieved the highest correlation with the NIST measurement, indicating that in some cases the combination of both approaches can improve the ability to quantify quality in MT. In authorship recognition, again the topological features were relevant in some contexts, though for the books and authors analyzed good results were obtained with semantic features as well. Because hybrid approaches encompassing semantic and topological features have not been extensively used, we believe that the methodology proposed here may be useful to enhance text classification considerably, as it combines well-established strategies. (c) 2012 Elsevier B.V. All rights reserved.

Echinococcus granulosus Antigen B Structure: Subunit Composition and Oligomeric States

Background: Antigen B (AgB) is the major protein secreted by the Echinococcus granulosus metacestode and is involved in key host-parasite interactions during infection. The full comprehension of AgB functions depends on the elucidation of several structural aspects that remain unknown, such as its subunit composition and oligomeric states. Methodology/Principal Findings: The subunit composition of E. granulosus AgB oligomers from individual bovine and human cysts was assessed by mass spectrometry associated with electrophoretic analysis. AgB8/1, AgB8/2, AgB8/3 and AgB8/4 subunits were identified in all samples analyzed, and an AgB8/2 variant (AgB8/2v8) was found in one bovine sample. The exponentially modified protein abundance index (emPAI) was used to estimate the relative abundance of the AgB subunits, revealing that AgB8/1 subunit was relatively overrepresented in all samples. The abundance of AgB8/3 subunit varied between bovine and human cysts. The oligomeric states formed by E. granulosus AgB and recombinant subunits available, rAgB8/1, rAgB8/2 and rAgB8/3, were characterized by native PAGE, light scattering and microscopy. Recombinant subunits showed markedly distinct oligomerization behaviors, forming oligomers with a maximum size relation of rAgB8/3 >rAgB8/2>rAgB8/1. Moreover, the oligomeric states formed by rAgB8/3 subunit were more similar to those observed for AgB purified from hydatid fluid. Pressure-induced dissociation experiments demonstrated that the molecular assemblies formed by the more aggregative subunits, rAgB8/2 and rAgB8/3, also display higher structural stability. Conclusions/Significance: For the first time, AgB subunit composition was analyzed in samples from single hydatid cysts, revealing qualitative and quantitative differences between samples. We showed that AgB oligomers are formed by different subunits, which have distinct abundances and oligomerization properties. Overall, our findings have significantly contributed to increase the current knowledge on AgB expression and structure, highlighting issues that may help to understand the parasite adaptive response during chronic infection.