Índice de aromaticidade baseado na deslocalização, degenerescência e densidade (D3BIA) para acenos e moléculas homoaromáticas

The aromaticity index is an important tool for the investigation of aromatic molecules. This work consists on new applications of the aromaticity index developed by teacher Caio Lima Firme, so-called D3BIA (density, delocalization, degeneracy-based index of aromaticity). It was investigated its correlation with other well-known aromaticity indexes, such as HOMA (harmonic oscillator model of aromaticity), NICS (nucleus independent chemical shielding), PDI (para-delocalization index), magnetic susceptibility (), and energetic factor in the study of aromaticity of acenes and homoaromatic species based on bisnoradamantanyl cage. The density functional theory (DFT) was used for optimization calculations and for obtaining energetic factors associated with aromaticity and indexes HOMA and NICS. From quantum theory of atoms in molecules (QTAIM) it was obtained the indexes D3BIA, PDI and . For acenes, when the over-mentioned indexes were applied it was observed no correlation except for D3BIA and HOMA (R2=0.752). For bisnoradamantenyl dication and its derivatives, it was obtained a good correlation between D3BIA and NICS. Moreover, it was evaluated solely one of the factors used on D3BIA calculation, the delocalization index uniformity (DIU), so as to investigate its possible influence on stability of chemical species. Then, the DIU was compared with the formation Gibbs free energy of some pairs of carbocations, isomers or not, which each pair had small difference in point group symmetry and no difference among other well-known stability factors. The obtained results indicate that DIU is a new stability factor related to carbocations, that is, the more uniform the electron density delocalization, the more stable the is carbocation. The results of this work validate D3BIA and show its importance on the concept of aromaticity, indicating that it can be understood from degeneracy of atoms belonging the aromatic site, the electronic density in the aromatic site and the degree of uniformity of electron delocalization

Algoritmos de agrupamentos fuzzy intervalares e índice de validação para agrupamento de dados simbólicos do tipo intervalo

Symbolic Data Analysis (SDA) main aims to provide tools for reducing large databases to extract knowledge and provide techniques to describe the unit of such data in complex units, as such, interval or histogram. The objective of this work is to extend classical clustering methods for symbolic interval data based on interval-based distance. The main advantage of using an interval-based distance for interval-based data lies on the fact that it preserves the underlying imprecision on intervals which is usually lost when real-valued distances are applied. This work includes an approach allow existing indices to be adapted to interval context. The proposed methods with interval-based distances are compared with distances punctual existing literature through experiments with simulated data and real data interval

Biomonitoramento da qualidade da água e ações em educação ambiental em dois açudes da bacia hidrográfica Apodi-Mossoró, RN

Water scarcity is a reality for the inhabitants of the Brazilian semiarid region. The problem, in quantitative terms , is caused due to local climatic conditions due mostly to a water deficit. Qualitatively, results of multiple uses and resulting contamination by human activities. Eutrophication is presented as a threat to the sustainable use of water resources, in order to favor the predominance of dense populations of cyanobacteria, which can be potentially harmful to human health. The aim of this study is to understand the population dynamics of phytoplankton and cyanobacteria to assess water quality of reservoirs Santa Cruz do Apodi and Pau dos Ferros belonging to bacia Apodi Mossoró-RN . Water samples were collected monthly between October 2011 and May 2012 in reservoirs Santa Cruz do Apodi and Pau dos Ferros, in this latter , in Jan/12 we performed a diel profile . The abiotic variables obtained in the field and in the laboratory were: water temperature , dissolved oxygen , pH , turbidity , transparency , total nitrogen and total phosphorus . Phytoplankton samples were collected with a plankton net and bottle of Van dorn . Were performed : identification , quantification , calculation of biovolume , classification into functional groups and index calculation phytoplankton assembly ( Q ) , cyanotoxins were quantified by ELISA . Statistical analyzes supported the evaluation of the dynamics between biotic and abiotic factors. A questionnaire was conducted to examine the conceptions of the population, education professionals and students. The reservoir of Pau dos Ferros, shallow , turbid and eutrophic showed dominance of the functional group SN throughout the sample period . The phytoplankton biomass ranged from 20 to 70 mm ³ . L - 1, the lowest values coincided with the increase of the mixing zone and transparency, which contributed to the occurrence of a change in species composition phytoplankton . The application of the index Q proved relevant, the reservoir of Pau dos Ferros , depending on the species present , was classified ecologically as bad for almost the entire sample period . The reservoir Santa Cruz do Apodi showed low biomass ( 0.04 and 4.31 mm ³ . L - 1 ) and greater diversity in the phytoplankton composition . According to the index assembly (Q ), it showed moderate condition during most of the period influenced by different functional groups of typical meso- eutrophic environment (K S0, H1, C, F , J , E, D and N) . Associations of diatoms and green algae D and X1 succeeded populations of cyanobacteria in periods marked by greater instability in the system , caused by wind or rain. In summary , the occurrence of drought has a direct influence on the hydrological conditions of the reservoirs , in general, these events, reducing the reservoir level is directly related to decreased water quality and increased density of phytoplankton occurring predominance of cyanobacteria , the index Q reflected well to changes in phytoplankton composition , being a good indicator for biomonitoring of reservoirs in this study and survey of previous conceptions showed the need to work on environmental awareness for the preservation of water resources by conducting workshops for Environmental Education

Uso do índice de pobreza hídrica (WPI) através da análise de componentes principais

To contribute in the performance of policies and strategies formulated by development agencies, indexes have been created in anticipation of expressing the multiple dimensions of water resources in an easily interpretable form. Use of Hydro Poverty Index ( WPI) is spreading worldwide , with the same formed by the combination of sub - indices Resource, access, capacity , use and environment. S ome critics a s to its formation have emerged, a mong them stands out the allo cation of weights of sub - indexes , made by an arbitrary process attributing subjectivity to the selection criteria. By involving statistical analysis, when considering the characteristics of the variables generated by the Principal Component Analysis (PCA), it turns out that it is able to solve this problem. The objective of this study is to compare the results of the original WPI with content generated by Principal Com ponent Analysis (PCA) for the indicati on of the weights of sub - indec es applicable in the Seridó River hydrographic Basin . We conclude that the use of Principal Component Analysis in the allocation of weights of Water Poverty Index has identified the sub - indices Resources, Access and Environment are the most representative for the river basin Seridó , and that this new index, WPI' , presented the most comprehensive ranges of values , allowing more easily identify disparities among municipalities. In addition, t he evaluation of the sub - indec es in the study area has great potential to inform the decision - maker in the management of water resources, the most critical locations and deserve greater investments in the aspects analyzed, as the index itself can not cap ture this information.

A Ouvidoria Pública como instrumento de controle das ações da Secretaria de Saúde do Pará

The State and Public Administration have gone through several reforms in search of a quick operation and the provision of services with quality. With the democratization of the country and the issue of the Constitution in 1988, further reform of the State and Public Administration, joined the government agenda in 1995 and included among its objectives, the principles of participation and social control. In view of this, it raises the Public Ombudsman in order to be a channel for the participation of users in the management of public affairs, social control, transparency of administrative actions, improving the quality of service and meeting the needs of the community. The aim of this study is to assess whether the Ombudsman of the State Department of Public Health to contribute to the period 2006-2008, for the improvement of specialized consulting services. The research is characterized as descriptive, qualitative approach. The collection technique used was the interview, conducted with 37 service users and two servants of the Ombudsman. The analysis was developed based on the perception of users and servers in the opinion of the Ombudsman. The most relevant results of the research showed that 41% of users search the Ombudsman because they believed that solve the problem presented. However, even with this level of public acceptance, the Ombudsman reached average index of resolvability of 53% in the period. In his role has not developed mechanisms for quality control of services, which is mentioned by 67% of users. It turned out the same fact in relation to popular participation, which is confirmed by 84% of users. For 24% of users, the problems raised were resolved, and of these, 56% believe that the Ombudsman has contributed to the positive outcome. As a result of the search results, it appears that the Ombudsman's SESPA / PA, is not fulfilling its role to ensuring the democratization of articipation in management, social control and has limited contribution to solving the problems of users and to improve the quality of services

Previsão do índice bovespa por meio de redes neurais artificiais: uma análise comparada aos métodos tradicionais de séries de tempo

Forecast is the basis for making strategic, tactical and operational business decisions. In financial economics, several techniques have been used to predict the behavior of assets over the past decades.Thus, there are several methods to assist in the task of time series forecasting, however, conventional modeling techniques such as statistical models and those based on theoretical mathematical models have produced unsatisfactory predictions, increasing the number of studies in more advanced methods of prediction. Among these, the Artificial Neural Networks (ANN) are a relatively new and promising method for predicting business that shows a technique that has caused much interest in the financial environment and has been used successfully in a wide variety of financial modeling systems applications, in many cases proving its superiority over the statistical models ARIMA-GARCH. In this context, this study aimed to examine whether the ANNs are a more appropriate method for predicting the behavior of Indices in Capital Markets than the traditional methods of time series analysis. For this purpose we developed an quantitative study, from financial economic indices, and developed two models of RNA-type feedfoward supervised learning, whose structures consisted of 20 data in the input layer, 90 neurons in one hidden layer and one given as the output layer (Ibovespa). These models used backpropagation, an input activation function based on the tangent sigmoid and a linear output function. Since the aim of analyzing the adherence of the Method of Artificial Neural Networks to carry out predictions of the Ibovespa, we chose to perform this analysis by comparing results between this and Time Series Predictive Model GARCH, developing a GARCH model (1.1).Once applied both methods (ANN and GARCH) we conducted the results' analysis by comparing the results of the forecast with the historical data and by studying the forecast errors by the MSE, RMSE, MAE, Standard Deviation, the Theil's U and forecasting encompassing tests. It was found that the models developed by means of ANNs had lower MSE, RMSE and MAE than the GARCH (1,1) model and Theil U test indicated that the three models have smaller errors than those of a naïve forecast. Although the ANN based on returns have lower precision indicator values than those of ANN based on prices, the forecast encompassing test rejected the hypothesis that this model is better than that, indicating that the ANN models have a similar level of accuracy . It was concluded that for the data series studied the ANN models show a more appropriate Ibovespa forecasting than the traditional models of time series, represented by the GARCH model

Biodiversidade e abundância da ictiofauna associada ao cultivo orgânico de Litopenaeus vannamei (Boone, 1931)

The expansion of shrimp farming has caused a series of environmental impacts, often as a result of lack of planning and adequate management. Organic aquaculture has emerged as an alternative to conventional shrimp farming, and differently, aims at the economical, ecological and farming potential of other organisms, such as fishes, oysters and seaweeds. The present study aimed at evaluating the biological diversity and abundance of the ichthyofauna associated to Litopenaeus vannamei organic culture at PRIMAR farm (Rio Grande do Norte, Brazil). The sampling period consisted of four culture cycles (1, 2, 3, and 4) accomplished in four grow-out ponds (V1, V7, V2, and V4) in 2005. The first two culture cycles were carried out during the rainy season, and the last two cycles, during the dry season. Environmental (temperature, salinity, transparency, and rainfall), biodiversity (diversity and uniformity and abundance indexes) of the ichthyofauna, and shrimp productivity data were collected throughout these four culture cycles. The results obtained for the environmental variables showed that both salinity and transparency oscillated in a significant way (p < 0.001) between culture cycles. In relation to the abundance of the ichthyofauna, fifty four species associated to the organic culture of Litopenaeus vannamei were collected and identified at PRIMAR. For the biodiversity criterion, larger species richness (S = 46) and uniformity (E = 0.59 ± 0.16) were observed during cycles 3 and 4 than in cycles 1 and 2 (S = 41 and E = 0.15 ± 0.12). A positive and significant correlation was obtained for the transparency with diversity and uniformity of fish species between cycles 1 and 2 (wet season) and cycles 3 and 4 (dry season) (p < 0.017 - Shannon Index; p < 0.008 - Pielou Index, respectively). A correlation could not be established between shrimp productivity and fish biomass. However, fish biomass decreased from cycles 1 and 2 to cycles 3 and 4, concomitant with an increase in shrimp productivity, most probably due to a higher (from 58.0% to 71.0%) shrimp survival. Regarding the culture potential of the ichthyofauna, three species (Mugil curema, Mugil liza and Chaetodipterus faber) were identified as potential farming alternatives, either singly or in consortium with Litopenaeus vannamei. A fourth species (Centropomus undecimalis) was indicated as an alternative for single culture or in consortium with other fish species. In conclusion, the large diversity of estuarine fishes associated to Litopenaeus vannamei farming observed at PRIMAR clearly indicated the ecological feasibility for organic aquaculture in northeastern Brazil

Processamento e caracterização de compósitos Poli(METACRILATO DE METILA)/Sílica (PMMA/SiO2)

Currently the search for new materials with properties suitable for specific applications has increased the number of researches that aim to address market needs. The poly (methyl methacrylate) (PMMA) is one of the most important polymers of the family of polyacrylates and polymethacrylates, especially for its unique optical properties and weathering resistance, and exceptional hardness and gloss. The development of polymer composites by the addition of inorganic fillers to the PMMA matrix increases the potential use of this polymer in various fields of application. The most commonly used inorganic fillers are particles of silica (SiO2), modified clays, graphite and carbon nanotubes. The main objective of this work is the development of PMMA/SiO2 composites at different concentrations of SiO2, for new applications as engineering plastics. The composites were produced by extrusion of tubular film, and obtained via solution for application to commercial PMMA plates, and also by injection molding, for improved the abrasion and scratch resistance of PMMA without compromising transparency. The effects of the addition of silica particles in the polymer matrix properties were evaluated by the maximum tensile strength, hardness, abrasion and scratch resistance, in addition to preliminary characterization by torque rheometry and melt flow rate. The results indicated that it is possible to use silica particles in a PMMA matrix, and a higher silica concentration produced an increase of the abrasion and scratch resistance, hardness, and reduced tensile strength

Ecologia do fitoplâncton em áreas de cultivo de Tilápia do Nilo, Oreochromis niloticus, em tanques-rede no açude Ministro João Alves, Parelhas, Rio Grande do Norte

The dams are limnic ecosystems of great importance for its multiple uses, among them, water supply for the public and to culture of artisanal fish are most relevant. The aim of the present study is to evaluate the physical-chemical characteristics and the phytoplankton community in two chosen sites (Point 1 littoral zone of point source; Point 2 pelagic zone of non-point source) of the Minister João Alves dam, which is also known as Boqueirão de Parelhas/RN. This represents the spatial distribution of the phytoplankton species in order to understand any possible alterations of the water quality and the phytoplankton composition in relation to the water quality originating from the impact of the tilapia, Oreochromis niloticus, culture. The study period also encompasses temporal variations exhibited in two seasons of an annual cycle, one during the dry season (Oct, Nov and Dec of 2008 and Jan of 2009), and the other rainy season (Mar, Apr, May and June of 2008) to extend the observation. The physicalchemical parameters, such as pH, temperature, electrical conductivity, concentration of dissolved oxygen were measured in situ and the values of the inorganic nutrients (nitrate, ammonium and orto-phosfato) and chlorophyll in the laboratory. The quali-quantitative analyses of the phytoplankton had been carried through sedimentation technique and the enumeration of the random of 400 cells, colonies and filaments counted using Sedgwick-Rafter counting chamber. The results of pH varied widely from the acidic to alkaline range with the minimum of 5.8 (± 0.8) and the maximum of 9.2 (± 0.7-0.8), at point 1 and 2. The dissolved oxygen content was higher in the rainy period than that in the dry period. The maximum electrical conductivity was of 1409 μScm-1 in point 1 and 431 minim of μScm-1, in point 2. There was a considerable alteration in the levels of inorganic nutrients such as nitrate-nitrogen, ammoniacal nitrogen and orthophosphate during the two cycles of study period. Phytoplankton assemblages presented a picture of alternate dominance among species Cyanobacteria, Bacillariophyceae and Chlorophyceae. The trophic state index diagnosed to the category of mesotrophic, which is based on the values of chlorophyll, total phosphorus and Secchi-disc measurements. The wind driven turbulence of the water column and the fresh inflow of water (flushing and dilution) during rainy season acted as constraint and did-not allow an exaggerated growth of the species of cyanobacteria. On the basis of the present we conclude that the culture of tilapias in cage-culture fails to produce pollution load that could compromise the quality of the water of the dam, probably be due to small dimension of the culture in relation to the size, volume of the water and the reservoir capacity support its own environment