Distributed mining of molecular fragments

In real world applications sequential algorithms of data mining and data exploration are often unsuitable for datasets with enormous size, high-dimensionality and complex data structure. Grid computing promises unprecedented opportunities for unlimited computing and storage resources. In this context there is the necessity to develop high performance distributed data mining algorithms. However, the computational complexity of the problem and the large amount of data to be explored often make the design of large scale applications particularly challenging. In this paper we present the first distributed formulation of a frequent subgraph mining algorithm for discriminative fragments of molecular compounds. Two distributed approaches have been developed and compared on the well known National Cancer Institute’s HIV-screening dataset. We present experimental results on a small-scale computing environment.

High performance subgraph mining in molecular compounds

Structured data represented in the form of graphs arises in several fields of the science and the growing amount of available data makes distributed graph mining techniques particularly relevant. In this paper, we present a distributed approach to the frequent subgraph mining problem to discover interesting patterns in molecular compounds. The problem is characterized by a highly irregular search tree, whereby no reliable workload prediction is available. We describe the three main aspects of the proposed distributed algorithm, namely a dynamic partitioning of the search space, a distribution process based on a peer-to-peer communication framework, and a novel receiver-initiated, load balancing algorithm. The effectiveness of the distributed method has been evaluated on the well-known National Cancer Institute’s HIV-screening dataset, where the approach attains close-to linear speedup in a network of workstations.

Efficient mining of discriminative molecular fragments

Frequent pattern discovery in structured data is receiving an increasing attention in many application areas of sciences. However, the computational complexity and the large amount of data to be explored often make the sequential algorithms unsuitable. In this context high performance distributed computing becomes a very interesting and promising approach. In this paper we present a parallel formulation of the frequent subgraph mining problem to discover interesting patterns in molecular compounds. The application is characterized by a highly irregular tree-structured computation. No estimation is available for task workloads, which show a power-law distribution in a wide range. The proposed approach allows dynamic resource aggregation and provides fault and latency tolerance. These features make the distributed application suitable for multi-domain heterogeneous environments, such as computational Grids. The distributed application has been evaluated on the well known National Cancer Institute’s HIV-screening dataset.

Analysis and modeling of active occupancy of the residential sector in Spain: an indicator of residential electricity consumption

The growing energy consumption in the residential sector represents about 30% of global demand. This calls for Demand Side Management solutions propelling change in behaviors of end consumers, with the aim to reduce overall consumption as well as shift it to periods in which demand is lower and where the cost of generating energy is lower. Demand Side Management solutions require detailed knowledge about the patterns of energy consumption. The profile of electricity demand in the residential sector is highly correlated with the time of active occupancy of the dwellings; therefore in this study the occupancy patterns in Spanish properties was determined using the 2009–2010 Time Use Survey (TUS), conducted by the National Statistical Institute of Spain. The survey identifies three peaks in active occupancy, which coincide with morning, noon and evening. This information has been used to input into a stochastic model which generates active occupancy profiles of dwellings, with the aim to simulate domestic electricity consumption. TUS data were also used to identify which appliance-related activities could be considered for Demand Side Management solutions during the three peaks of occupancy.

Erythristic leopards Panthera pardus in South Africa

Background. Leopards Panthera pardus show genetically determined colour variation. Erythristic (strawberry) morphs, where individuals are paler and black pigment in the coat is replaced by a red-brown colour, are exceptionally rare in the wild. Historically, few records exist, with only five putative records from India known. Objectives. To record the presence of erythristic leopards in our study site (Thabo Thalo Wilderness Reserve, Mpumalanga), and to collate records from across South Africa. Method. A network of camera traps was used to record individual leopards at Thabo Thalo. We also surveyed local experts, searched the popular South African press and used social media to request observations. Results. Two out of 27 individual leopards (7.1%) recorded in our study site over three years were of this colour morph. We obtained records of five other erythristic leopards in the Waterberg and Mpumalanga region, with no reports outside of this population. Conclusions. Erythristic leopards are widely dispersed across north-west South Africa, predominantly in the Lydenburg region. The presence of this rare colour morph may reflect the consequences of population fragmentation.

Implementação de projetos de governo eletrônico com múltiplas agências : uma análise dos fatores críticos de sucesso do projeto nota fiscal eletrônica sob a ótica do PMBOK

As administrações públicas contemporâneas vêm sofrendo diversas formas de pressão para que promovam a modernização de suas estruturas e serviços, provenientes não somente da própria sociedade, mas também derivadas das crises fiscais que assolaram diversos países nas últimas décadas. Uma das opções dos governos a fim de atender a essa demanda está no uso do potencial das tecnologias de informação e de comunicação em prol de melhores serviços ao cidadão e numa maior eficiência do aparato estatal. Esse movimento contemporâneo, associado principalmente ao advento da computação pessoal e da Internet, tem sido chamado Governo Eletrônico (e-Gov). Uma das suas ações relaciona-se à construção de serviços eletrônicos que integrem diversas agências governamentais em formato colaborativo. Entretanto, projetos de e-Gov que demandam esse grau de integração possuem complexidade de implementação aparentemente maior que projetos tradicionais, o que se reflete nos baixos índices de sucesso encontrados mundialmente. Existem hoje metodologias e frameworks de gestão de projetos disponíveis e consolidados no mercado, tal como o provido pelo Project Management Institute – PMI, por meio do Project Management Body of Knowledge – PMBOK, publicação que representa uma agregação dos conhecimentos dos mais de 230.000 profissionais associados ao PMI, principalmente nos aspectos conhecidos como “boas práticas”. Ele é aceito como um padrão de gestão de projetos pelo ANSI – American National Standards Institute e pelo Institute of Electrical and Electronics Engineers – IEEE (PMI, 2007). A questão que esta pesquisa procura explorar é a identificação das boas práticas na gestão de projetos de e-Gov multi-agências. Para isso, baseou-se no modelo proposto pelo PMBOK, considerado pela literatura como um framework abrangente e de grande reconhecimento (LEITE, 2004). A partir dessa análise, procurou-se identificar quais foram os fatores mais relevantes para o sucesso do projeto e como foram geridos pela equipe participante. Com esse intuito, essa pesquisa apresenta um estudo em profundidade do projeto Nota Fiscal Eletrônica – NF-e do Governo do Estado de São Paulo, projeto de e-Gov que possui integração nacional entre múltiplas agências (seis Administrações Tributárias Estaduais, Receita Federal e dezenove grandes empresas) e grande complexidade técnica e de gestão. Os resultados encontrados sugerem que o apoio da alta administração, a criação de um relacionamento de confiança, a participação de empresas no projeto, a alta capacidade das equipes envolvidas, a definição de um escopo viável e a utilização de padrões abertos são fatores que colaboram significativamente para o sucesso de projetos como a NF-e.

Interação interdisciplinar e preservação da cadeia de custódia nos ambientes físicos dos setores técnico-científicos da polícia federal

Esta pesquisa teve por objetivo verificar até que ponto as orientações repassadas pelo Instituto Nacional de Criminalística aos Setores Técnico-científicos da Polícia Federal, em termos de ambiente físico, têm se voltado para a interação interdisciplinar entre os peritos e para a preservação da cadeia de custódia. Para tanto, foi necessário recorrer a fundamentos sobre interdisciplinaridade, cadeia de custódia, arranjo físico na gestão de processos e ao planejamento de espaços no sentido de fortalecer o embasamento teórico para a discuss��o dos dados obtidos na pesquisa de campo. A pesquisa, desenvolvida com a ajuda de entrevistas destinadas aos ocupantes de setores estratégicos responsáveis pelas orientações e consultas à documentação técnica produzida na Polícia Federal, foi complementada com a realização de visitas aos setores do Paraná, Santa Catarina, Espírito Santo, Goiás, Alagoas, Rio Grande do Norte e Amazonas, de caráter exploratório e observacional, contemplando desde aspectos gerais associados aos objetos de análise até as peculiaridades regionais registradas in loco. Foram identificados dois tipos de orientações repassadas pelo Instituto Nacional de Criminalística, sendo um na fase preliminar de projeto e outro em momento posterior de avaliação, realizados por grupos distintos de servidores. De norte a sul do país, foram registradas diversas impressões atuais associadas aos ambientes físicos e instalações dessas unidades e, com base na riquíssima experiência obtida em cada localidade, foi possível propor uma modesta sugestão de melhoria ao arranjo físico na unidade do pesquisador e registrar sua implantação a posteriori. Mediante a comparação entre as orientações repassadas com as impressões obtidas nas visitas chegou-se à identificação, por exemplo, de lacunas de comunicação no âmbito do próprio Instituto Nacional de Criminalística, que perde excelentes oportunidades de prover os projetistas com informações atualizadas relacionadas aos ambientes físicos das descentralizadas. Conclui-se que apesar do avanço recente em relação ao tema, no tocante à criação de propostas preliminares de layout das unidades e à instituição das Comissões de Avaliação da Gestão da Criminalística, a unidade central precisa manter um sistema integrado de gestão dessas informações, alinhado às novas tendências construtivas e de projetos da Administração, de forma a transformar continuamente as observações coletadas nas unidades em novas orientações e diretrizes capazes de realimentar o sistema.

Análise do nível de maturidade da gestão do conhecimento na criminalística federal

Gerir o conhecimento representa uma nova responsabilidade da administração pública para que ela possa aumentar a efetividade dos serviços prestados e melhorar a sociedade a qual serve, na medida em que auxilia as organizações a enfrentar novos desafios, implantar práticas inovadoras de gestão e melhorar a qualidade dos processos, produtos e serviços públicos. Considerando que o processo de gestão do conhecimento compreende cinco etapas representadas por identificar, criar, armazenar, compartilhar e utilizar o conhecimento organizacional, o mapeamento inicial das práticas de GC já existentes na criminalística federal reveste-se de fundamental importância. Como se referem a práticas relativamente novas no contexto das organizações – notadamente nas públicas – diversos métodos de avaliação de implementação de práticas de GC foram identificados. Nesse contexto, uma vez que a perícia criminal federal apresenta-se como uma organização que pretende implementar práticas relacionadas à GC, não havendo, porém, até o momento, qualquer iniciativa institucionalizada nesse sentido, a escolha da metodologia recaiu sobre o modelo proposto pelo IPEA. Quanto à pesquisa, tendo em mente o problema e os objetivos propostos, optou-se por uma investigação descritiva, explicativa e aplicada, onde se buscou construir um amplo referencial teórico com descrição detalhada dos aspectos abordados no decorrer do estudo. Os trabalhos envolveram, ainda, pesquisa de campo, bibliográfica e estudo de caso. Os resultados permitiram concluir que a criminalística federal encontra-se em fase de iniciação em gestão do conhecimento, situação em que começa a reconhecer a importância e a necessidade de gerenciar o conhecimento originado no contexto de suas atividades e que está inserido na organização por meio de seus integrantes. Verificou-se, ainda, no decorrer da pesquisa, ações pontuais dispersas na perícia criminal federal voltadas à sistematizar as informações e conhecimentos insertos na instituição.

Spin-Stabilized Spacecrafts: Analytical Attitude Propagation Using Magnetic Torques

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Variability of physicochemical properties of an epoxy resin sealer taken from different parts of the same tube

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

Physicochemical properties of endodontic sealers of different bases

Objective: To assess the setting time (ST), flow (FL), radiopacity (RD), solubility (SB) and dimensional change following setting (DC) of different sealers (AH Plus (R), Polifil, Apexit Plus (R), Sealapex (R), Endomethasone (R) and Endofill (R)) according to American National Standards Institute/American Dental Association (ANSI/ADA) Specification 57. Material and methods: Five samples of each material were used for each test. For ST, cast rings were filled with sealers and tested with a Gillmore needle. For FL, the sealer was placed on a glass plate. After 180 s, another plate with 20 g and a load of 100 g were applied on the material, and the diameters of the discs formed were measured. In RD, circular molds were filled with the sealers, radiographed and analyzed using Digora software. For SB, circular molds were filled with the sealers, a nylon thread was placed inside the material and another glass plate was positioned on the set, pressed and stored at 37 degrees C. Samples were weighed, placed in water, dried and reweighed. The water used for SB was analyzed by atomic absorption spectrometry. For DC, circular molds were filled with the sealers, covered by glass plates and stored at 37 degrees C. Samples were measured and stored in water for 30 days. After this period, they were dryed and measured again. Results: Regarding ST, AH Plus (R), Apexit (R) and Endofil (R) sealers are in accordance with ANSI/ADA standards. Endomethasone's manufacturer did not mention the ST; Polifil is an experimental sealer and Sealapex (R) did not set. Considering RD, SB and DC, all sealers were in accordance with ANSI/ADA. The spectrometric analysis showed that a significant amount of K+ and Zn2(+) ions was released from Apexit Plus (R) and Endofill (R), respectively. Conclusion: Except for DC, all other physicochemical properties of the tested sealers conformed to ANSI/ADA requirements.

Effect of different radiopacifying agents on the physicochemical properties of white portland cement and white mineral trioxide aggregate

Introduction: The aim of this study was to evaluate the pH, calcium ion release, setting time, and solubility of white mineral trioxide aggregate (WMTA) and white Portland cement (WPC) combined with the following radiopacifying agents: bismuth oxide (BO), calcium tungstate (CT), and zirconium oxide (ZO). Methods: Fifty acrylic teeth with root-end filling material were immersed in ultrapure water for measurement of pH and calcium release (atomic absorption spectrophotometry) at 3, 24, 72, and 168 hours. For evaluation of setting time, each material was analyzed according to the American Society for Testing and Materials guidelines 266/08. The solubility test was performed according to American National Standards Institute/American Dental Association specification no. 57/2000. Solubility, setting time, and pH values were compared by using analysis of variance and Tukey test, and the values of calcium release were compared by the Kruskal-Wallis and Miller tests. The significance level was set at 5%. Results: The pH and calcium release were higher at 3 and 24 hours. WPC was the material with the higher values for both properties. WMTA had the greatest solubility among all materials (P <.05). All radiopacifiers increased the setting time of WPC, and WMTA had the shortest setting time among all materials (P < .05). Conclusions: All materials released calcium ions. Except for WPC/CT at 168 hours, all materials promoted an alkaline pH. On the basis of the obtained results, ZO and CT can be considered as potential radiopacifying agents to be used in combination with Portland cement. Copyright © 2012 American Association of Endodontists.

Spin stabilized satellite's attitude analytical prediction

An analytical approach for spin stabilized attitude propagation is presented, considering the coupled effect of the aerodynamic torque and the gravity gradient torque. A spherical coordination system fixed in the satellite is used to locate the satellite spin axis in relation to the terrestrial equatorial system. The spin axis direction is specified by its right ascension and the declination angles and the equation of motion are described by these two angles and the magnitude of the spin velocity. An analytical averaging method is applied to obtain the mean torques over an orbital period. To compute the average components of both aerodynamic torque and the gravity gradient torque in the satellite body frame reference system, an average time in the fast varying orbit element, the mean anomaly, is utilized. Afterwards, the inclusion of such torques on the rotational motion differential equations of spin stabilized satellites yields conditions to derive an analytical solution. The pointing deviation evolution, that is, the deviation between the actual spin axis and the computed spin axis, is also availed. In order to validate the analytical approach, the theory developed has been applied for spin stabilized Brazilian satellite SCD1, which are quite appropriated for verification and comparison of the data generated and processed by the Satellite Control Center of the Brazil National Research Institute (INPE). Numerical simulations performed with data of Brazilian Satellite SCD1 show the period that the analytical solution can be used to the attitude propagation, within the dispersion range of the attitude determination system performance of Satellite Control Center of the Brazilian Research Institute.

Beneficio de prestação continuada - um instrumento de inclusão social

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Measuring the impact of quality infrastructure in Latin America: Experiences, achievements and limitations

This document, which is partly based on by the study Impacto de la Infraestructura de la Calidad en América Latina, is a second joint effort by the Economic Commission for Latin America and the Caribbean (ECLAC) and the German National Metrology Institute (PTB) to move towards a more detailed understanding of the role played by the Quality Infrastructure in opening up possibilities for the countries in the region to innovate and compete. Through methodological analysis and the realization of case studies at the national level in certain countries in the region, the document seeks to offer a more comprehensive picture of the impact of the Quality Infrastructure and its importance for the economic and social development of countries. The document analyzes various QI related aspects, with particular emphasis on a review of conceptual elements, the role of the QI in the innovation systems of countries and a brief analysis of a set of case studies in Latin American countries. It also identifies a series of challenges and limitations for carrying out impact studies. These elements are taken up again in the final conclusions of the book, where a number of policy recommendations are outlined.