Chiral resolution of hexaamine cobalt(III) cages: Substituent effects on chiral discrimination

Chiral resolution of the cobalt cage complexes [Co(diNOsar)](3+) and [Co(diAMsarH(2))](5+) have been achieved by selective crystallization with the anion bis-mu-(R),(R)-tartratodiantimonate(III) ([Sb-2(R,R-tart)(2)](2-)) and also by column chromatography with Na-2[Sb-2(R, R-tart)(2)] as eluent. The X-ray crystal structures of Lambda-[ Co(diNOsar)][Sb-2(R, R-tart)(2)] Cl . 7H(2)O and Delta-[Co(diAMsarH(2))][Sb-2(R, R-tart)(2)](2)Cl . 14H(2)O are reported, which reveal an unexpected reversal of chiral discrimination when the cage substituent is changed from nitro (Lambda-enantiomer) to ammonio (Delta-enantiomer) and shows that the ammonio- substituted cage is capable of forming a three-point hydrogen-bonding interaction with each complex anion, whereas the nitro analogue can only form two hydrogen bonds with each [Sb-2(R, R-tart)(2)](2-) anion. During cation exchange chromatography of the racemic cobalt cage complexes with Na-2[Sb-2(R, R-tart)(2)] as eluent, Lambda-[Co(diNOsar)](3+) elutes first, which implies a tighter ion pairing interaction than for the Delta-enantiomer. On the other hand, Delta-[Co(diAMsarH(2))](5+) elutes first during chromatography under identical conditions, which is also consistent with a preferred outer-sphere complex formed between Delta-[Co(diAMsarH(2))](5+) and [Sb-2(R, R-tart)(2)](2-) relative to Lambda-[Co(diAMsarH(2))](5+) and [Sb-2(R,R-tart)(2)](2-).

Efeitos da modulação do sistema endocanabinoide na interação social e extinção da memória aversiva em macacos-prego (Sapajus spp)

Dissertação (mestrado)—Universidade de Brasília, Instituto de Ciências Biológicas, Departamento de Ciências Fisiológicas, Programa de Pós Graduação em Biologia Animal, 2016.

Program slicing by calculation

Program slicing is a well known family of techniques used to identify code fragments which depend on or are depended upon specific program entities. They are particularly useful in the areas of reverse engineering, program understanding, testing and software maintenance. Most slicing methods, usually oriented towards the imperative or object paradigms, are based on some sort of graph structure representing program dependencies. Slicing techniques amount, therefore, to (sophisticated) graph transversal algorithms. This paper proposes a completely different approach to the slicing problem for functional programs. Instead of extracting program information to build an underlying dependencies’ structure, we resort to standard program calculation strategies, based on the so-called Bird-Meertens formalism. The slicing criterion is specified either as a projection or a hiding function which, once composed with the original program, leads to the identification of the intended slice. Going through a number of examples, the paper suggests this approach may be an interesting, even if not completely general, alternative to slicing functional programs

Identifying clones in functional programs for refactoring

Clone detection is well established for imperative programs. It works mostly on the statement level and therefore is ill-suited for func- tional programs, whose main constituents are expressions and types. In this paper we introduce clone detection for functional programs using a new intermediate program representation, dubbed Functional Control Tree. We extend clone detection to the identi cation of non-trivial func- tional program clones based on the recursion patterns from the so-called Bird-Meertens formalism

Pectus Excavatum postsurgical outcome based on preoperative soft body dynamics simulation

Pectus excavatum is the most common congenital deformity of the anterior chest wall, in which an abnormal formation of the rib cage gives the chest a caved-in or sunken appearance. Today, the surgical correction of this deformity is carried out in children and adults through Nuss technic, which consists in the placement of a prosthetic bar under the sternum and over the ribs. Although this technique has been shown to be safe and reliable, not all patients have achieved adequate cosmetic outcome. This often leads to psychological problems and social stress, before and after the surgical correction. This paper targets this particular problem by presenting a method to predict the patient surgical outcome based on pre-surgical imagiologic information and chest skin dynamic modulation. The proposed approach uses the patient pre-surgical thoracic CT scan and anatomical-surgical references to perform a 3D segmentation of the left ribs, right ribs, sternum and skin. The technique encompasses three steps: a) approximation of the cartilages, between the ribs and the sternum, trough b-spline interpolation; b) a volumetric mass spring model that connects two layers - inner skin layer based on the outer pleura contour and the outer surface skin; and c) displacement of the sternum according to the prosthetic bar position. A dynamic model of the skin around the chest wall region was generated, capable of simulating the effect of the movement of the prosthetic bar along the sternum. The results were compared and validated with patient postsurgical skin surface acquired with Polhemus FastSCAN system

Slicing functional programs by calculation

Program slicing is a well known family of techniques used to identify code fragments which depend on or are depended upon specific program entities. They are particularly useful in the areas of reverse engineering, program understanding, testing and software maintenance. Most slicing methods, usually targeting either the imperative or the object oriented paradigms, are based on some sort of graph structure representing program dependencies. Slicing techniques amount, therefore, to (sophisticated) graph transversal algorithms. This paper proposes a completely different approach to the slicing problem for functional programs. Instead of extracting program information to build an underlying dependencies’ structure, we resort to standard program calculation strategies, based on the so-called Bird- Meertens formalism. The slicing criterion is specified either as a projection or a hiding function which, once composed with the original program, leads to the identification of the intended slice. Going through a number of examples, the paper suggests this approach may be an interesting, even if not completely general alternative to slicing functional programs

Finite element analysis of pectus carinatum surgical correction via a minimally invasive approach

Pectus carinatum (PC) is a chest deformity caused by a disproportionate growth of the costal cartilages compared to the bony thoracic skeleton, pulling the sternum towards, which leads to its protrusion. There has been a growing interest on using the ‘reversed Nuss’ technique as minimally invasive procedure for PC surgical correction. A corrective bar is introduced between the skin and the thoracic cage and positioned on top of the sternum highest protrusion area for continuous pressure. Then, it is fixed to the ribs and kept implanted for about 2–3 years. The purpose of this work was to (a) assess the stresses distribution on the thoracic cage that arise from the procedure, and (b) investigate the impact of different positioning of the corrective bar along the sternum. The higher stresses were generated on the 4th, 5th and 6th ribs backend, supporting the hypothesis of pectus deformities correction-induced scoliosis. The different bar positioning originated different stresses on the ribs’ backend. The bar position that led to lower stresses generated on the ribs backend was the one that also led to the smallest sternum displacement. However, this may be preferred, as the risk of induced scoliosis is lowered.

Parameters of electrostatic spraying and its influence on the application efficiency

When the electrostatic spraying is used correctly, it provides advantages over conventional systems, however many factors can affect the system efficiency. Therefore, the objective of this study was to evaluate the charge/mass ratio (Q/M) at different spraying distances (0, 1, 2, 3, 4 and 5 m), and the liquid deposition efficiency on the target. Evaluating the Q/M ratio the Faraday cage method was used and to evaluate the liquid deposition efficiency the artificial targets were positioned longitudinally and transversely to the spray jet. It was found that the spraying distance affects the Q/M ratio, consequently, the liquid deposition efficiency. For the closest distance to the target the Q/M ratio was 4.11 mC kg-1, and at distances of 1, 2, 3, 4 and 5 m, the ratio decreased to 1.38, 0.64, 0.31, 0.17 and 0.005 mC kg-1, respectively. For the liquid deposition, the electrostatic system was affected by the target orientation and spraying distance. The target transversely to the jet of liquid did not improve the liquid deposition, but longitudinally increased the deposition up to 3 meters of distance.

Automatic modeling of pectus excavatum corrective prosthesis using artificial neural networks

Pectus excavatum is the most common deformity of the thorax. Pre-operative diagnosis usually includes Computed Tomography (CT) to successfully employ a thoracic prosthesis for anterior chest wall remodeling. Aiming at the elimination of radiation exposure, this paper presents a novel methodology for the replacement of CT by a 3D laser scanner (radiation-free) for prosthesis modeling. The complete elimination of CT is based on an accurate determination of ribs position and prosthesis placement region through skin surface points. The developed solution resorts to a normalized and combined outcome of an artificial neural network (ANN) set. Each ANN model was trained with data vectors from 165 male patients and using soft tissue thicknesses (STT) comprising information from the skin and rib cage (automatically determined by image processing algorithms). Tests revealed that ribs position for prosthesis placement and modeling can be estimated with an average error of 5.0 ± 3.6 mm. One also showed that the ANN performance can be improved by introducing a manually determined initial STT value in the ANN normalization procedure (average error of 2.82 ± 0.76 mm). Such error range is well below current prosthesis manual modeling (approximately 11 mm), which can provide a valuable and radiation-free procedure for prosthesis personalization.

Automatic modeling of pectus excavatum corrective prosthesis using artificial neural networks

Pectus excavatum is the most common deformity of the thorax. Pre-operative diagnosis usually includes Computed Tomography (CT) to successfully employ a thoracic prosthesis for anterior chest wall remodeling. Aiming at the elimination of radiation exposure, this paper presents a novel methodology for the replacement of CT by a 3D laser scanner (radiation-free) for prosthesis modeling. The complete elimination of CT is based on an accurate determination of ribs position and prosthesis placement region through skin surface points. The developed solution resorts to a normalized and combined outcome of an artificial neural network (ANN) set. Each ANN model was trained with data vectors from 165 male patients and using soft tissue thicknesses (STT) comprising information from the skin and rib cage (automatically determined by image processing algorithms). Tests revealed that ribs position for prosthesis placement and modeling can be estimated with an average error of 5.0 ± 3.6 mm. One also showed that the ANN performance can be improved by introducing a manually determined initial STT value in the ANN normalization procedure (average error of 2.82 ± 0.76 mm). Such error range is well below current prosthesis manual modeling (approximately 11 mm), which can provide a valuable and radiation-free procedure for prosthesis personalization.

Artificial neural networks for automatic modelling of the pectus excavatum corrective prosthesis

Pectus excavatum is the most common deformity of the thorax and usually comprises Computed Tomography (CT) examination for pre-operative diagnosis. Aiming at the elimination of the high amounts of CT radiation exposure, this work presents a new methodology for the replacement of CT by a laser scanner (radiation-free) in the treatment of pectus excavatum using personally modeled prosthesis. The complete elimination of CT involves the determination of ribs external outline, at the maximum sternum depression point for prosthesis placement, based on chest wall skin surface information, acquired by a laser scanner. The developed solution resorts to artificial neural networks trained with data vectors from 165 patients. Scaled Conjugate Gradient, Levenberg-Marquardt, Resilient Back propagation and One Step Secant gradient learning algorithms were used. The training procedure was performed using the soft tissue thicknesses, determined using image processing techniques that automatically segment the skin and rib cage. The developed solution was then used to determine the ribs outline in data from 20 patient scanners. Tests revealed that ribs position can be estimated with an average error of about 6.82±5.7 mm for the left and right side of the patient. Such an error range is well below current prosthesis manual modeling (11.7±4.01 mm) even without CT imagiology, indicating a considerable step forward towards CT replacement by a 3D scanner for prosthesis personalization.

Prevalência de consumo de bebidas alcoólicas e de alcoolismo em uma região metropolitana do Brasil

Foi realizado Inquérito epidemiológico com o objetivo de estimar o uso de substâncias psicoativas e a prevalência de alcoolismo. Tomou-se como referência a população de maiores de 13 anos de idade de região administrativa da cidade do Rio de Janeiro, RJ (Brasil), da qual se extraiu uma amostra aleatória de 1.459 indivíduos. Os resultados referentes ao uso de bebidas alcoólicas e alcoolismo, identificados através do teste CAGE, mostraram: prevalência de 51% para o consumo de álcool e de 3% para alcoolismo, sendo 4,9% em homens e 1,7% em mulheres; maior proporção de consumidores de álcool e de alcoolistas entre homens de 30 e 49 anos; abstinência mais freqüente entre os viúvos, protestantes e indivíduos com níveis de renda inferiores.

Ventilation influence in occupational exposure to fungi and volatile organic compounds: poultry case

Introduction - In poultry houses, large-scale production has led to increased bird densities within buildings. Such high densities of animals kept within confined spaces are a source of human health problems related to occupational organic dust exposure. This organic dust is composed of both non-viable particles and viable particulate matter (also called bioaerosols). Bioaerosols are comprised by airborne bacteria, fungi, viruses and their by-products, endotoxins and mycotoxins. Exposure to fungi in broiler houses may vary depending upon the applied ventilation system. Ventilation can be an important resource in order to reduce air contamination in these type of settings. Nevertheless, some concerns regarding costs, sensitivity of the animal species to temperature differences, and also the type of building used define which type of ventilation is used. Aim of the study - A descriptive study was developed in one poultry unit aiming to assess occupational fungal and volatile organic compounds (VOCs) exposure.

Associação tabagismo-alcoolismo: introdução às grandes dependências humanas

OBJETIVO: Verificar a existência da associação tabagismo-alcoolismo em amostra da população geral e comparar uma amostra alcoolista com outra abstêmia, pareadas pela idade e sexo. MATERIAL E MÉTODO: Na Unidade Sanitária Murialdo de Porto Alegre, RS numa área delimitada, com uma população estimada de 65.000 habitantes, foi feito estudo por corte transversal em que se definiu uma amostra representativa de indivíduos com 35 anos e mais. Através da Escala CAGE, identificou-se a população alcoolista que foi comparada a uma amostra aleatória de não-alcoolistas, pareada à alcoolista pela idade e sexo. Dentre 1.387 adultos com 35 anos ou mais, identificaram-se 129 indivíduos alcoolistas. Da listagem geral, selecionou-se aleatoriamente, uma amostra-controle de 129 indivíduos não-alcoolistas, criando-se, assim, dois grupos comparativos. Foram obtidos dados comparativos através de 19 itens de um questionário. As informações de caráter genérico eram pessoais ou familiares, como renda e hábito tabágico. O grau de escolaridade, ocupação, doenças e sintomas respiratórios, medida do fluxo expiratório (Pico do Fluxo) e história de alcoolismo eram exclusivas dos indivíduos com 35 anos ou mais que responderam ao questionário. RESULTADOS: Dos 129 indivíduos (9,3%) alcoolistas, 109 (84,4%) eram do sexo masculino e 20 (25,6%) do feminino. Entre alcoolistas, é maior a prevalência de fumantes (67%) se comparada com a prevalência entre os não-alcoolistas (43%) (p<.002). O tipo de ocupação profissional distinguiu os dois grupos. A ocupação de grau elementar prevalece entre alcoolistas enquanto a de grau médio é mais freqüente entre não-alcoolistas (p< .003). A renda familiar bem como a pessoal é maior entre não-alcoolistas (P < .001). Há predominância não significativa de não brancos e iletrados bem como é maior o número de fumante na família dos alcoolistas, do que na de abstêmios (p< .06). Mesmo não atingindo níveis de significância, houve tendência dos alcoolistas iniciarem-se no tabagismo mais cedo, fumarem durante mais tempo um maior número de cigarros. CONCLUSÕES: O estudo demonstra que, na amostra da população geral, houve associação estatística entre a dependência alcoólica e a tabágica. Nessa amostra o alcoolismo predominou entre as categorias de mais baixa renda e de nível cultural e profissional, considerados elementares.

Confiabilidade das aferições de estudo sobre violência familiar e desnutrição severa na infância

INTRODUÇÃO: Como parte do programa de investigação sobre violência familiar e desnutrição severa na infância, especificamente um estudo do tipo caso-controle foi avaliada a confiabilidade dos instrumentos utilizados no processo de obtenção de dados. Estudou-se a confiabilidade de quatro componentes do instrumento principal: (a) as Escalas sobre Táticas de Conflitos (Conflicts Tactics Scales - CTS) que medem o grau de conflito/violência familiar; (b) o instrumento CAGE (Cut-down; Annoyed; Guilty & Eye-opener) usado para indicar suspeição de alcoolismo; (c) o NSDUQ (Non-student Drugs Use Questionnaire) que visa aferir o uso de drogas ilícitas; e (d) a medida antropométrica de comprimento. MÉTODO: Para os três primeiros componentes citados foram avaliadas a estabilidade (confiabilidade intra-observador ou teste-reteste) e a equivalência (confiabilidade inter-observador), usando-se os 50 primeiros sujeitos captados no estudo caso-controle de fundo. Para a análise, usou-se o índice Kappa (k) com ajustamento (pseudo-Bayes) para lidar com problemas de estimabilidade. Em relação ao componente "d", foi estudada somente a equivalência (n=73), usando-se o Coeficiente de Correlação Intraclasse (Intra-class Correlation Coefficient - ICC) como estimador. RESULTADOS: Todos os componentes mostraram estabilidade e equivalência aceitáveis. Quanto à estabilidade das CTS, CAGE e NSDUQ, as estimações de k foram em torno de 0,70, 0,78 e 0,85, respectivamente. Em relação à equivalência, encontrou-se os valores de 1,0 para as CTS e NSDUQ e 0,75 para CAGE. A equivalência estimada através do ICC para comprimento foi de 0,99. Algumas situações desviantes foram observadas. Os resultados apontam para uma adequada padronização dos observadores e refletem a boa qualidade do processo de aferição referente ao estudo de fundo, encorajando a equipe de pesquisa a prosseguir com maior segurança.