Futuros sobre a margem operacional da refinação do petróleo bruto: crack spreads

Mestrado em Contabilidade Internacional

Synthesis, structural characterization and leishmanicidal activity evaluation of ferrocenyl N-heterocyclic compounds

Agência Financiadora: FCT - PTDC/QUI/72656/2006 ; SFRH/BPD/27454/2006; SFRH/BPD/44082/2008; SFRH/BPD/41138/2007

Evolução do consumo de crack em coorte com histórico de tratamento

OBJETIVO: Analisar a evolução do consumo entre usuários de crack com histórico de tratamento. MÉTODOS: Uma coorte de, originalmente, 131 dependentes de crack admitidos em uma enfermaria de desintoxicação em São Paulo, SP, entre 1992 e 1994, foi re-entrevistada em três ocasiões: 1995-1996, 1998-1999 e 2005-2006. As variáveis averiguadas foram: dados demográficos, comportamento sexual de risco, padrões de consumo de crack e outras substâncias, prisões, desaparecimentos e óbitos. Na análise estatística empregou-se o teste de qui-quadrado, a regressão logística multinomial e regressão de Cox. RESULTADOS: Dos pacientes avaliados, 43 estavam abstinentes do crack (12 meses ou mais), 22 eram usuários, 13 estavam presos, dois desaparecidos e 27 estavam mortos. Foram identificados três grupos com trajetórias distintas de consumo pós-alta. Comportamento seguro com uso de preservativo foi identificado como fator relacionado ao grupo de abstinentes estáveis (p = 0,001). Teste HIV positivo na internação (p = 0,046); consumo de cocaína aspirada no último ano (p = 0,001) e tempo de uso de cocaína aspirada na vida (mais de 132 meses) (p = 0,000) foram fatores relacionados a uso de longo termo. Uso pregresso de cocaína endovenosa aumentou em 2,5 vezes as chances de óbito em 12 anos (p = 0,031) (IC95%: 1,08; 5,79). CONCLUSÕES: A recorrência e persistência do consumo nos anos pós-alta de tratamento refletem novas modalidades de uso do crack. Por outro lado, padrões de abstinência estável apontam a viabilidade dos processos de recuperação relativos ao uso de crack.

Structural modification of TiO2 nanorod films with an influence on the photovoltaic efficiency of a dye-sensitized solar cell (DSSC).

TiO2 nanorod films have been deposited on ITO substrates by dc reactive magnetron sputtering technique. The structures of these nanorod films were modified by the variation of the oxygen pressure during the sputtering process. Although all these TiO2 nanorod films deposited at different oxygen pressures show an anatase structure, the orientation of the nanorod films varies with the oxygen pressure. Only a very weak (101) diffraction peak can be observed for the TiO2 nanorod film prepared at low oxygen pressure. However, as the oxygen pressure is increased, the (220) diffraction peak appears and the intensity of this diffraction peak is increased with the oxygen pressure. The results of the SEM show that these TiO2 nanorods are perpendicular to the ITO substrate. At low oxygen pressure, these sputtered TiO2 nanorods stick together and have a dense structure. As the oxygen pressure is increased, these sputtered TiO2 nanorods get separated gradually and have a porous structure. The optical transmittance of these TiO2 nanorod films has been measured and then fitted by OJL model. The porosities of the TiO2 nanorod films have been calculated. The TiO2 nanorod film prepared at high oxygen pressure shows a high porosity. The dye-sensitized solar cells (DSSCs) have been assembled using these TiO2 nanorod films prepared at different oxygen pressures as photoelectrode. The optimum performance was achieved for the DSSC using the TiO2 nanorod film with the highest (220) diffraction peak and the highest porosity.

Fissura por crack: comportamentos e estratégias de controle de usuários e ex-usuários

OBJETIVO: Compreender a fissura do usuário de crack, bem como descrever os comportamentos desenvolvidos sob fissura e estratégias utilizadas para seu controle. PROCEDIMENTOS METODOLÓGICOS: Estudo qualitativo com amostra intencional por critérios de 40 usuários e ex-usuários de crack em São Paulo, SP, nos anos de 2007 e 2008. Os entrevistados foram recrutados pela técnica da bola de neve e submetidos à entrevista semi-estruturada em profundidade, até a saturação teórica. Após transcrição literal, seguiu-se a análise do conteúdo das entrevistas para elaboração de inferências e hipóteses alicerçadas nessas narrativas. ANÁLISE DOS RESULTADOS: Os entrevistados estavam igualmente distribuídos quanto ao sexo, possuíam idade entre 18 e 50 anos, abrangeram todos os níveis de escolaridade e a maior parte possuía poucos recursos financeiros. Além da fissura sentida na abstinência de crack e da fissura induzida por pistas ambientais e emocionais, constatou-se um tipo de fissura que faz parte do próprio efeito do crack. Esta última apareceu como forte fator mantenedor dos binges de consumo, que foram os maiores responsáveis pelo rebaixamento de valores do usuário, sujeitando-o a práticas arriscadas para a obtenção da droga. Os métodos mais citados para a obtenção de crack ou dinheiro para comprá-lo foram: prostituição, manipulação de pessoas, endividamento, troca de pertences por crack e roubo. Foram relatadas estratégias para o alívio da fissura e táticas farmacológicas e comportamentais para evitar o seu desenvolvimento, como: comer, ter relação sexual, jogar futebol, trabalhar, evitar o contexto social de uso de crack e usar drogas que causam sonolência. CONCLUSÕES: Os binges de consumo de crack são causados pela fissura induzida durante o uso da droga. As medidas criadas pelo próprio usuário para lidar com a sua fissura melhoram sua relação com o crack e podem ser ferramenta importante para o aprimoramento do tratamento.

Study of optical and structural properties of Cu2ZnSnS4 thin films

Cu2ZnSnS4 is a promising semiconductor to be used as absorber in thin film solar cells. In this work, we investigated optical and structural properties of Cu2ZnSnS4 thin films grown by sulphurization of metallic precursors deposited on soda lime glass substrates. The crystalline phases were studied by X-ray diffraction measurements showing the presence of only the Cu2ZnSnS4 phase. The studied films were copper poor and zinc rich as shown by inductively coupled plasma mass spectroscopy. Scanning electron microscopy revealed a good crystallinity and compactness. An absorption coefficient varying between 3 and 4×104cm−1 was measured in the energy range between 1.75 and 3.5 eV. The band gap energy was estimated in 1.51 eV. Photoluminescence spectroscopy showed an asymmetric broad band emission. The dependence of this emission on the excitation power and temperature was investigated and compared to the predictions of the donor-acceptor-type transitions and radiative recombinations in the model of potential fluctuations. Experimental evidence was found to ascribe the observed emission to radiative transitions involving tail states created by potential fluctuations.

Tensile behaviour of a structural adhesive at high temperatures by the extended finite element method

Component joining is typically performed by welding, fastening, or adhesive-bonding. For bonded aerospace applications, adhesives must withstand high-temperatures (200°C or above, depending on the application), which implies their mechanical characterization under identical conditions. The extended finite element method (XFEM) is an enhancement of the finite element method (FEM) that can be used for the strength prediction of bonded structures. This work proposes and validates damage laws for a thin layer of an epoxy adhesive at room temperature (RT), 100, 150, and 200°C using the XFEM. The fracture toughness (G Ic ) and maximum load ( ); in pure tensile loading were defined by testing double-cantilever beam (DCB) and bulk tensile specimens, respectively, which permitted building the damage laws for each temperature. The bulk test results revealed that decreased gradually with the temperature. On the other hand, the value of G Ic of the adhesive, extracted from the DCB data, was shown to be relatively insensitive to temperature up to the glass transition temperature (T g ), while above T g (at 200°C) a great reduction took place. The output of the DCB numerical simulations for the various temperatures showed a good agreement with the experimental results, which validated the obtained data for strength prediction of bonded joints in tension. By the obtained results, the XFEM proved to be an alternative for the accurate strength prediction of bonded structures.

Ligand-Induced structural changes in TEM‑1 probed by molecular dynamics and relative binding free energy calculations

The TEM family of enzymes has had a crucial impact on the pharmaceutical industry due to their important role in antibiotic resistance. Even with the latest technologies in structural biology and genomics, no 3D structure of a TEM- 1/antibiotic complex is known previous to acylation. Therefore, the comprehension of their capability in acylate antibiotics is based on the protein macromolecular structure uncomplexed. In this work, molecular docking, molecular dynamic simulations, and relative free energy calculations were applied in order to get a comprehensive and thorough analysis of TEM-1/ampicillin and TEM-1/amoxicillin complexes. We described the complexes and analyzed the effect of ligand binding on the overall structure. We clearly demonstrate that the key residues involved in the stability of the ligand (hot-spots) vary with the nature of the ligand. Structural effects such as (i) the distances between interfacial residues (Ser70−Oγ and Lys73−Nζ, Lys73−Nζ and Ser130−Oγ, and Ser70−Oγ−Ser130−Oγ), (ii) side chain rotamer variation (Tyr105 and Glu240), and (iii) the presence of conserved waters can be also influenced by ligand binding. This study supports the hypothesis that TEM-1 suffers structural modifications upon ligand binding.

Structural stability of adenylate kinase from the sulfate-reducing bacteria Desulfovibrio gigas

Biophysical Chemistry 110 (2004) 83–92

Synechocystis ferredoxin/ferredoxin-NADP+-reductase/NADP+ complex: Structural model obtained by NMR-restrained docking

FEBS Letters 579 (2005) 4585–4590

Structural and mechanistic studies of iron containing proteins

Dissertação apresentada para obtenção do Grau de Doutor em Bioquímica, ramo de Bioquímica-Física, pela Universidade Nova de Lisboa, Faculdade de Ciências e Tecnologia

Influence of the use of recycled concrete aggregates from different sources on structural concrete

This paper intends to evaluate the capacity of producing concrete with a pre-established performance (in terms of mechanical strength) incorporating recycled concrete aggregates (RCA) from different sources. To this purpose, rejected products from the precasting industry and concrete produced in laboratory were used. The appraisal of the self-replication capacity was made for three strength ranges: 15-25 MPa, 35-45 MPa and 65-75 MPa. The mixes produced tried to replicate the strength of the source concrete (SC) of the RA. Only total, (100%) replacement of coarse natural aggregates (CNA) by coarse recycled concrete aggregates (CRCA) was tested. The results show that, both in mechanical and durability terms, there were no significant differences between aggregates from controlled sources and those from precast rejects for the highest levels of the target strength. Furthermore, the performance losses resulting from the RA's incorporation are substantially reduced when used medium or high strength SC's. (C) 2014 Elsevier Ltd. All rights reserved.

A wireless sensor network platform for structural health monitoring: enabling accurate and synchronized measurements through COTS+custom-based design

Structural health monitoring has long been identified as a prominent application of Wireless Sensor Networks (WSNs), as traditional wired-based solutions present some inherent limitations such as installation/maintenance cost, scalability and visual impact. Nevertheless, there is a lack of ready-to-use and off-the-shelf WSN technologies that are able to fulfill some most demanding requirements of these applications, which can span from critical physical infrastructures (e.g. bridges, tunnels, mines, energy grid) to historical buildings or even industrial machinery and vehicles. Low-power and low-cost yet extremely sensitive and accurate accelerometer and signal acquisition hardware and stringent time synchronization of all sensors data are just examples of the requirements imposed by most of these applications. This paper presents a prototype system for health monitoring of civil engineering structures that has been jointly conceived by a team of civil, and electrical and computer engineers. It merges the benefits of standard and off-the-shelf (COTS) hardware and communication technologies with a minimum set of custom-designed signal acquisition hardware that is mandatory to fulfill all application requirements.

Feasibility of the extended finite element method for the simulation of composite bonded joints

Adhesive-bonding for the unions in multi-component structures is gaining momentum over welding, riveting and fastening. It is vital for the design of bonded structures the availability of accurate damage models, to minimize design costs and time to market. Cohesive Zone Models (CZM’s) have been used for fracture prediction in structures. The eXtended Finite Element Method (XFEM) is a recent improvement of the Finite Element Method (FEM) that relies on traction-separation laws similar to those of CZM’s but it allows the growth of discontinuities within bulk solids along an arbitrary path, by enriching degrees of freedom. This work proposes and validates a damage law to model crack propagation in a thin layer of a structural epoxy adhesive using the XFEM. The fracture toughness in pure mode I (GIc) and tensile cohesive strength (sn0) were defined by Double-Cantilever Beam (DCB) and bulk tensile tests, respectively, which permitted to build the damage law. The XFEM simulations of the DCB tests accurately matched the experimental load-displacement (P-d) curves, which validated the analysis procedure.

Periplasmic nitrate reductases: structural and spectroscopic studies

Dissertação apresentada para obtenção do grau de Doutor em Bioquímica, especialidade Bioquímica-Física, pela Faculdade de Ciências e Tecnologia da Universidade Nova de Lisboa