Fitorremediação de solo contaminado com picloram por capim-pé-de-galinha-gigante (Eleusine coracana)

O longo efeito residual do herbicida picloram no solo aumenta o risco de lixiviação e de fitotoxicidade em culturas sucedâneas; sua presença no solo pode ser abreviada com o uso da fitorremediação. O objetivo deste trabalho foi avaliar a influência da densidade populacional de capim-pé-de-galinha-gigante (Eleusine coracana) sobre a fitorremediação de solo contaminado com o herbicida picloram. O experimento foi realizado em casa de vegetação localizada no município de Rio Verde-GO, no período de setembro de 2006 a fevereiro de 2007. Os tratamentos foram compostos pela combinação entre quatro densidades populacionais da espécie vegetal Eleusine coracana (capim-pé-de-galinha-gigante) (0, 7, 14 e 21 plantas por vaso, correspondendo a 0, 172, 344 e 516 plantas m-2, respectivamente) e três doses do picloram (0, 80 e 160 g ha-1 - aplicadas diretamente nos vasos, simulando níveis de contaminação do solo). Após o cultivo da espécie vegetal fitorremediadora no substrato por 100 dias, efetuou-se, no próprio vaso, a semeadura da soja (Glycine max L.), espécie utilizada como bioindicadora da presença do picloram. A espécie Eleusine coracana mostrou ter capacidade de remediar solos contaminados com o herbicida picloram. A partir de 172 plantas m-2, aumentos na densidade populacional da espécie fitorremediadora não proporcionaram redução de carryover do herbicida picloram sobre a cultura da soja semeada em sucessão.

Automatic prebent customized prosthesis for pectus excavatum minimally invasive surgery correction

Pectus excavatum is the most common deformity of the thorax. A minimally invasive surgical correction is commonly carried out to remodel the anterior chest wall by using an intrathoracic convex prosthesis in the substernal position. The process of prosthesis modeling and bending still remains an area of improvement. The authors developed a new system, i3DExcavatum, which can automatically model and bend the bar preoperatively based on a thoracic CT scan. This article presents a comparison between automatic and manual bending. The i3DExcavatum was used to personalize prostheses for 41 patients who underwent pectus excavatum surgical correction between 2007 and 2012. Regarding the anatomical variations, the soft-tissue thicknesses external to the ribs show that both symmetric and asymmetric patients always have asymmetric variations, by comparing the patients’ sides. It highlighted that the prosthesis bar should be modeled according to each patient’s rib positions and dimensions. The average differences between the skin and costal line curvature lengths were 84 ± 4 mm and 96 ± 11 mm, for male and female patients, respectively. On the other hand, the i3DExcavatum ensured a smooth curvature of the surgical prosthesis and was capable of predicting and simulating a virtual shape and size of the bar for asymmetric and symmetric patients. In conclusion, the i3DExcavatum allows preoperative personalization according to the thoracic morphology of each patient. It reduces surgery time and minimizes the margin error introduced by the manually bent bar, which only uses a template that copies the chest wall curvature.

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

Automatic prebent customized prosthesis for pectus excavatum minimally invasive surgery correction

Pectus excavatum is the most common deformity of the thorax. A minimally invasive surgical correction is commonly carried out to remodel the anterior chest wall by using an intrathoracic convex prosthesis in the substernal position. The process of prosthesis modeling and bending still remains an area of improvement. The authors developed a new system, i3DExcavatum, which can automatically model and bend the bar preoperatively based on a thoracic CT scan. This article presents a comparison between automatic and manual bending. The i3DExcavatum was used to personalize prostheses for 41 patients who underwent pectus excavatum surgical correction between 2007 and 2012. Regarding the anatomical variations, the soft-tissue thicknesses external to the ribs show that both symmetric and asymmetric patients always have asymmetric variations, by comparing the patients’ sides. It highlighted that the prosthesis bar should be modeled according to each patient’s rib positions and dimensions. The average differences between the skin and costal line curvature lengths were 84 ± 4 mm and 96 ± 11 mm, for male and female patients, respectively. On the other hand, the i3DExcavatum ensured a smooth curvature of the surgical prosthesis and was capable of predicting and simulating a virtual shape and size of the bar for asymmetric and symmetric patients. In conclusion, the i3DExcavatum allows preoperative personalization according to the thoracic morphology of each patient. It reduces surgery time and minimizes the margin error introduced by the manually bent bar, which only uses a template that copies the chest wall curvature.

Automatic prebent customized prosthesis for pectus excavatum minimally invasive surgery correction

Pectus excavatum is the most common deformity of the thorax. A minimally invasive surgical correction is commonly carried out to remodel the anterior chest wall by using an intrathoracic convex prosthesis in the substernal position. The process of prosthesis modeling and bending still remains an area of improvement. The authors developed a new system, i3DExcavatum, which can automatically model and bend the bar preoperatively based on a thoracic CT scan. This article presents a comparison between automatic and manual bending. The i3DExcavatum was used to personalize prostheses for 41 patients who underwent pectus excavatum surgical correction between 2007 and 2012. Regarding the anatomical variations, the soft-tissue thicknesses external to the ribs show that both symmetric and asymmetric patients always have asymmetric variations, by comparing the patients’ sides. It highlighted that the prosthesis bar should be modeled according to each patient’s rib positions and dimensions. The average differences between the skin and costal line curvature lengths were 84 ± 4 mm and 96 ± 11 mm, for male and female patients, respectively. On the other hand, the i3DExcavatum ensured a smooth curvature of the surgical prosthesis and was capable of predicting and simulating a virtual shape and size of the bar for asymmetric and symmetric patients. In conclusion, the i3DExcavatum allows preoperative personalization according to the thoracic morphology of each patient. It reduces surgery time and minimizes the margin error introduced by the manually bent bar, which only uses a template that copies the chest wall curvature.

Equilibrium self-assembly of colloids with distinct interaction sites: Thermodynamics, percolation, and cluster distribution functions

We calculate the equilibrium thermodynamic properties, percolation threshold, and cluster distribution functions for a model of associating colloids, which consists of hard spherical particles having on their surfaces three short-ranged attractive sites (sticky spots) of two different types, A and B. The thermodynamic properties are calculated using Wertheim's perturbation theory of associating fluids. This also allows us to find the onset of self-assembly, which can be quantified by the maxima of the specific heat at constant volume. The percolation threshold is derived, under the no-loop assumption, for the correlated bond model: In all cases it is two percolated phases that become identical at a critical point, when one exists. Finally, the cluster size distributions are calculated by mapping the model onto an effective model, characterized by a-state-dependent-functionality (f) over bar and unique bonding probability (p) over bar. The mapping is based on the asymptotic limit of the cluster distributions functions of the generic model and the effective parameters are defined through the requirement that the equilibrium cluster distributions of the true and effective models have the same number-averaged and weight-averaged sizes at all densities and temperatures. We also study the model numerically in the case where BB interactions are missing. In this limit, AB bonds either provide branching between A-chains (Y-junctions) if epsilon(AB)/epsilon(AA) is small, or drive the formation of a hyperbranched polymer if epsilon(AB)/epsilon(AA) is large. We find that the theoretical predictions describe quite accurately the numerical data, especially in the region where Y-junctions are present. There is fairly good agreement between theoretical and numerical results both for the thermodynamic (number of bonds and phase coexistence) and the connectivity properties of the model (cluster size distributions and percolation locus).

Percolation of colloids with distinct interaction sites

We generalize the Flory-Stockmayer theory of percolation to a model of associating (patchy) colloids, which consists of hard spherical particles, having on their surfaces f short-ranged-attractive sites of m different types. These sites can form bonds between particles and thus promote self-assembly. It is shown that the percolation threshold is given in terms of the eigenvalues of a m x m matrix, which describes the recursive relations for the number of bonded particles on the ith level of a cluster with no loops; percolation occurs when the largest of these eigenvalues equals unity. Expressions for the probability that a particle is not bonded to the giant cluster, for the average cluster size and the average size of a cluster to which a randomly chosen particle belongs, are also derived. Explicit results for these quantities are computed for the case f = 3 and m = 2. We show how these structural properties are related to the thermodynamics of the associating system by regarding bond formation as a (equilibrium) chemical reaction. This solution of the percolation problem, combined with Wertheim's thermodynamic first-order perturbation theory, allows the investigation of the interplay between phase behavior and cluster formation for general models of patchy colloids.

Projecto de entreposto frigorífico a R-744/R-717 para produtos congelados

Pretende-se com este trabalho de Projecto de Mestrado conceber uma câmara frigorífica de 20000 m3 para armazenar produtos congelados e estudar um sistema frigorífico com dois fluidos frigorigénios que serão o CO2 (R-744) e o NH3 (R-717) O trabalho inicia-se com a definição dos objectivos principais para o projecto de um sistema frigorífico deste tipo. Após a definição dos objectivos, o projecto propõe um estudo termodinâmico do CO2 (R-744) como fluido frigorigénio, definindo se o seu historial de utilização, características principais, diagrama pressão-entalpia com a distinção das diversas fases do fluído, comparação em diversos parâmetros com outros fluidos, o porquê da utilização deste fluído, problemas comuns em sistemas com a presença deste fluído, entre outros parâmetros de estudo. De seguida será feito o dimensionamento de uma câmara frigorífica de 20000 m3 para armazenar produtos congelados paletizados através de um balanço térmico manual e um balanço térmico informático através do programa da Centauro comparando no final o resultado dos dois métodos. Será feito uma descrição das características básicas da câmara frigorífica com um esquema simples do edifício. Será abordado de seguida o sistema frigorífico a CO2 (R-744) e a NH3 (R-717) nas suas diversas características, nomeadamente no cálculo de caudais, diagrama pressão-entalpia, dimensionamento de tubagens e finalmente selecção de equipamento. Procede-se assim também ao estudo um sistema apenas a NH3 (R-717) com as suas diversas características nomeadamente no cálculo de caudais, diagrama pressão-entalpia, dimensionamento de tubagens e finalmente selecção dos equipamentos mais importantes, para que desta forma se proceda à comparação dos dois sistemas a nível energético, consumo eléctrico e manutenção de equipamentos. Finalmente proceder-se-á interpretação de resultados com o objectivo final de escolher a melhor solução nos vários parâmetros de comparação, para o esquema em questão.

Environmental exposure to toxicants mixtures from a multi-purpose estuary: perspectives for a biomonitoring study in Portugal

This work was focused on a multi-purpose estuarine environment (river Sado estuary, SW Portugal) around which a number of activities (e.g., fishing, farming, heavy industry, tourism and recreational activities) coexist with urban centres with a total of about 200 000 inhabitants. Based on previous knowledge of the hazardous chemicals within the ecosystem and their potential toxicity to benthic species, this project intended to evaluate the impact of estuarine contaminants on the human and ecosystem health. An integrative methodology based on epidemiological, analytical and biological data and comprising several lines of evidence, namely, human contamination pathways, human health effects, consumption of local produce, estuarine sediments, wells and soils contamination, effects on commercial benthic organisms, and genotoxic potential of sediments, was used. The epidemiological survey confirmed the occurrence of direct and indirect (through food chain) exposure of the local population to estuarine contaminants. Furthermore, the complex mixture of contaminants (e.g., metals, pesticides, polycyclic aromatic hydrocarbons) trapped in the estuary sediments was toxic to human liver cells exposed in vitro, causing cell death, oxidative stress and genotoxic effects that might constitute a risk factor for the development of chronic-degenerative diseases, on the long term. Finally, the integration of data from several endpoints indicated that the estuary is moderately impacted by toxicants that affect also the aquatic biota. Nevertheless, the human health risk can only be correctly assessed through a biomonitoring study including the quantification of contaminants (or metabolites) in biological fluids as well as biomarkers of early biological effects (e.g., biochemical, genetic and omics-based endpoints) and genetic susceptibility in the target population. Data should be supported by a detailed survey to assess the impact of the contaminated seafood and local farm products consumption on human health and, particularly, on metabolic diseases or cancer development.

Nematic wetting and filling of crenellated surfaces

We investigate nematic wetting and filling transitions of crenellated surfaces (rectangular gratings) by numerical minimization of the Landau-de Gennes free energy as a function of the anchoring strength, for a wide range of the surface geometrical parameters: depth, width, and separation of the crenels. We have found a rich phase behavior that depends in detail on the combination of the surface parameters. By comparison to simple fluids, which undergo a continuous filling or unbending transition, where the surface changes from a dry to a filled state, followed by a wetting or unbinding transition, where the thickness of the adsorbed fluid becomes macroscopic and the interface unbinds from the surface, nematics at crenellated surfaces reveal an intriguingly rich behavior: in shallow crenels only wetting is observed, while in deep crenels, only filling transitions occur; for intermediate surface geometrical parameters, a new class of filled states is found, characterized by bent isotropic-nematic interfaces, which persist for surfaces structured on large scales, compared to the nematic correlation length. The global phase diagram displays two wet and four filled states, all separated by first-order transitions. For crenels in the intermediate regime re-entrant filling transitions driven by the anchoring strength are observed.

The condensation and ordering of models of empty liquids

We consider a simple model consisting of particles with four bonding sites ("patches"), two of type A and two of type B, on the square lattice, and investigate its global phase behavior by simulations and theory. We set the interaction between B patches to zero and calculate the phase diagram as the ratio between the AB and the AA interactions, epsilon(AB)*, varies. In line with previous work, on three-dimensional off-lattice models, we show that the liquid-vapor phase diagram exhibits a re-entrant or "pinched" shape for the same range of epsilon(AB)*, suggesting that the ratio of the energy scales - and the corresponding empty fluid regime - is independent of the dimensionality of the system and of the lattice structure. In addition, the model exhibits an order-disorder transition that is ferromagnetic in the re-entrant regime. The use of low-dimensional lattice models allows the simulation of sufficiently large systems to establish the nature of the liquid-vapor critical points and to describe the structure of the liquid phase in the empty fluid regime, where the size of the "voids" increases as the temperature decreases. We have found that the liquid-vapor critical point is in the 2D Ising universality class, with a scaling region that decreases rapidly as the temperature decreases. The results of simulations and theoretical analysis suggest that the line of order-disorder transitions intersects the condensation line at a multi-critical point at zero temperature and density, for patchy particle models with a re-entrant, empty fluid, regime. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3657406]

Phase diagrams of particles with dissimilar patches: X-junctions and Y-junctions

We use Wertheim's first-order perturbation theory to investigate the phase behaviour and the structure of coexisting fluid phases for a model of patchy particles with dissimilar patches (two patches of type A and f(B) patches of type B). A patch of type alpha = {A, B} can bond to a patch of type beta = {A, B} in a volume nu(alpha beta), thereby decreasing the internal energy by epsilon(alpha beta). We analyse the range of model parameters where AB bonds, or Y-junctions, are energetically disfavoured (epsilon(AB) < epsilon(AA)/2) but entropically favoured (nu(AB) >> nu(alpha alpha)), and BB bonds, or X-junctions, are energetically favoured (epsilon(BB) > 0). We show that, for low values of epsilon(BB)/epsilon(AA), the phase diagram has three different regions: (i) close to the critical temperature a low-density liquid composed of long chains and rich in Y-junctions coexists with a vapour of chains; (ii) at intermediate temperatures there is coexistence between a vapour of short chains and a liquid of very long chains with X-and Y-junctions; (iii) at low temperatures an ideal gas coexists with a high-density liquid with all possible AA and BB bonds formed. It is also shown that in region (i) the liquid binodal is reentrant (its density decreases with decreasing temperature) for the lower values of epsilon(BB)/epsilon(AA). The existence of these three regions is a consequence of the competition between the formation of X- and Y-junctions: X-junctions are energetically favoured and thus dominate at low temperatures, whereas Y-junctions are entropically favoured and dominate at higher temperatures.

Controlo de qualidade microbiológica na indústria farmacêutica

O presente Relatório de Estágio teve como objectivo analisar e discutir as competências adquiridas e desenvolvidas, durante o estágio, no controlo da qualidade microbiológica na indústria farmacêutica O estágio, foi realizado no Laboratório de Microbiologia dos Laboratórios Atral, Grupo AtralCipan, localizado na Vala do Carregado, Castanheira do Ribatejo. Este teve a duração de aproximadamente dez meses e meio, com data de início a 21 de Setembro de 2011 e final de 10 de Agosto de 2012. Numa fase inicial, foram adquiridas as aptidões necessárias para a aplicação das metodologias realizadas no laboratório de microbiologia com o estudo das normas, procedimento e legislação aplicada, com foco na importância das farmacopeias na indústria farmacêutica e formação para a realização de ensaios em Áreas de Processamento Asséptico, conhecendo e compreendendo os procedimentos a ter nestas. Uma das principais metodologias realizadas, e desenvolvida neste relatório, compreendeu a análise de produtos farmacêuticos estéreis, com a aplicação de Testes de Esterilidade, pelo método de STERITEST e método Directo, com resultados que demonstraram a importância destas técnicas, da avaliação do ambiente em que são realizadas e do operador que as executa. Os Testes de Promoção de Crescimento, foram também explorados neste trabalho, realizados não só para avaliação dos meios de cultura, onde foi possível analisar os requisitos e resultados obtidos, como também para validação de metodologias, nomeadamente, na validação de meios e fluidos de marcas diferentes para utilização no método STERITEST e na validação do método de filtração de membrana para Enumeração Microbiana de um produto não estéril. Estas validações possibilitaram a redução de custos e melhoria das condições da análise e metodologias aplicadas. Com a realização do estágio foi possível adquirir aptidões práticas, que aliadas ao conhecimento teórico obtido no mestrado, proporcionaram um crescimento a nível pessoal, científico e profissional.

VPPs information needs for effective operation in competitive electricity markets

The large increase of renewable energy sources and Distributed Generation (DG) of electricity gives place to the Virtual Power Producer (VPP) concept. VPPs may turn electricity generation by renewable sources valuable in electricity markets. Information availability and adequate decision-support tools are crucial for achieving VPPs’ goals. This involves information concerning associated producers and market operation. This paper presents ViProd, a simulation tool that allows simulating VPPs operation, focusing mainly in the information requirements for adequate decision making.

Filling and wetting transitions of nematic liquid crystals on sinusoidal substrates

Close to sinusoidal substrates, simple fluids may undergo a filling transition, in which the fluid passes from a dry to a filled state, where the interface remains unbent but bound to the substrate. Increasing the surface field, the interface unbinds and a wetting transition occurs. We show that this double-transition sequence may be strongly modified in the case of ordered fluids, such as nematic liquid crystals. Depending on the preferred orientation of the nematic molecules at the structured substrate and at the isotropic-nematic interface, the filling transition may not exist, and the fluid passes directly from a dry to a complete-wet state, with the interface far from the substrate. More interestingly, in other situations, the complete wetting transition may be prevented, and the fluid passes from a dry to a filled state, and remains in this configuration, with the interface always attached to the substrate, even for very large surface fields. Both transitions are observed only for a same substrate in a narrow range of amplitudes.