Simulação computacional de um feixe de fótons de 6 MV em diferentes meios heterogêneos utilizando o código PENELOPE

OBJETIVO: Utilizar o código PENELOPE e desenvolver geometrias onde estão presentes heterogeneidades para simular o comportamento do feixe de fótons nessas condições. MATERIAIS E MÉTODOS: Foram feitas simulações do comportamento da radiação ionizante para o caso homogêneo, apenas água, e para os casos heterogêneos, com diferentes materiais. Consideraram-se geometrias cúbicas para os fantomas e geometrias em forma de paralelepípedos para as heterogeneidades com a seguinte composição: tecido simulador de osso e pulmão, seguindo recomendações da International Commission on Radiological Protection, e titânio, alumínio e prata. Definiram-se, como parâmetros de entrada: a energia e o tipo de partícula da fonte, 6 MV de fótons; a distância fonte-superfície de 100 cm; e o campo de radiação de 10x 10 cm². RESULTADOS: Obtiveram-se curvas de percentual de dose em profundidade para todos os casos. Observou-se que em materiais com densidade eletrônica alta, como a prata, a dose absorvida é maior em relação à dose absorvida no fantoma homogêneo, enquanto no tecido simulador de pulmão a dose é menor. CONCLUSÃO: Os resultados obtidos demonstram a importância de se considerar heterogeneidades nos algoritmos dos sistemas de planejamento usados no cálculo da distribuição de dose nos pacientes, evitando-se sub ou superdosagem dos tecidos próximos às heterogeneidades.

Avaliação de meios de contraste submetidos à radiação ionizante

OBJETIVO: O presente estudo consistiu em investigar a influência da radiação ionizante por raios X e raios gama sobre a estabilidade molecular de diversos meios de contraste radiológicos utilizados em exames de diagnóstico por imagem, por meio da espectroscopia de ressonância magnética nuclear de ¹H e 13C. MATERIAIS E MÉTODOS: Oito diferentes meios de contraste iodados (três iônicos e cinco não iônicos) foram expostos à radiação por raios X e raios gama. Em seguida, espectros de ressonância magnética nuclear de ¹H e 13C{¹H} foram coletados. RESULTADOS: Os espectros de ressonância magnética nuclear de 13C{¹H} de ambos os meios de contraste iônicos e não iônicos irradiados por raios X ou raios gama mostraram que não houve alterações na composição química desses contrastes. CONCLUSÃO: Não há problemas em armazenar as amostras nas salas, ou próximo aos equipamentos em que são realizados os exames. Enfatiza-se que a radiação recebida pelas amostras durante os ensaios foi direta, enquanto em uma sala de exames de radiodiagnóstico a radiação é indireta e, portanto, os níveis de radiações nestes casos são bastante inferiores àqueles empregados neste estudo.

Ozonólise das ligninas organossolve e kraft eucalipto. Parte II: cinética nos meios ácido e básico

Organosolv and kraft lignins were treated with ozone both in basic and acid media and the reaction was studied kinetically. In contrast to reported studies, ozone was more efective in basic medium. Kraft lignin was degraded faster than organosolv lignin in both media but in the basic medium the rate of reaction was very much faster than in the acid one: for kraft lignin, the observed degradation was 93% for 2 min of reaction in the basic medium and 56% for 10 min of reaction in the acid medium; for organosolv lignin, 47% and 25%, respectively, in the same times. Higher phenolic hydroxyl groups contents increase the reaction rate.

Biocatálise em meios aquo-restritos: fundamentos e aplicações em química analítica

The ability of enzymes to function in aquo-restricted media (commonly reported as non-aqueous media) has greatly enlarged the applications in numerous fields. The development of biosensors was also benefited with this area, expanding their applications toward many previously inaccessible analytes, enlarging significantly the scope of applications. In this review, some basic factors that influence biocatalytical reactions in aquo-restricted media is discussed. Attention is focused on the development, advantages and analytical applications of biosensors in non-aqueous media. Recent examples and relevant applications of their use are presented.

Metodologia para obtenção de parâmetros de mecânica molecular aplicados a compostos de coordenação

A methodology is presented to obtain force field parameters to be used in molecular mechanics. The case of Ru(II) is investigated and the parameters obtained, specially its covalent radii, are employed to model Ru(II) coordination compound. The combined use of molecular mechanics with ab initio methods allowed us to predict the metal-ligand stretching force constant for Ru(II) coordination compounds.

Desenvolvimento de colunas cromatográficas de meios de acesso restrito proteína-imobilizada e suas avaliações para análise de fármacos com injeção direta de plasma humano

A series of bovine serum albumin-immobilized supports have been prepared and used as restricted access media (RAM) columns. Restricted-access supports combine size-exclusion of proteins and other high-molar-mass matrix components with the simultaneous enrichment of low-molar mass analytes. These characteristics were chromatographically evaluated for the columns. The RAM-BSA (Bovine Serum Albumin) columns showed excellent performance for exclusion of human plasma protein with good retention capacity for a series of acidic, basic, and neutral drugs.

Modelos contínuos do solvente: fundamentos

Continuum solvation models are nowadays widely used in the modeling of solvent effects and the range of applications goes from the calculation of partition coefficients to chemical reactions in solution. The present work presents a detailed explanation of the physical foundations of continuum models. We discuss the polarization of a dielectric and its representation through the volume and surface polarization charges. The Poisson equation for a dielectric was obtained and we have also derived and discuss the apparent surface charge method and its application for free energy of solvation calculations.

Resistência mecânica de hidrogéis termo-sensíveis constituídos de Alginato-Ca2+ / PNIPAAm, tipo Semi-IPN

Thermosensitive hydrogels were synthesized using alginate-Ca2+ in association with a thermosensitive polymer, such as PNIPAAm. The mechanical properties of the hydrogels were determined measuring the maximum tension of deformation. With the increase of the temperature by 25 to 40 ºC above the LCST the chains of PNIPAAm collapsed, dragging the alginate net and diminishing the size of the pores. The decrease in the size of the pores of the hydrogel was followed by an increase in the mechanicals resistance of the material.

Estudo de coprólito da bacia sedimentar do Araripe por meios de espectroscopia FT-IR e difração de Raios-X

Coprolites are fossilized faeces that constitute an important source of palaeobiological informations. This paper describes the characterization of some coprolite materials originated from the Romualdo Member of the Santana Formation (Araripe Basin, south of Ceará State in Brazil) by means of two techniques: X-ray powder diffraction and Fourier transform infrared spectroscopy (FT-IR). This characterization allowed us to determine the main composition of the coprolites, of the nodulus (where the coprolites were extracted) and of the sediment (where the nodulus was found) suggesting that the material was produced by a carnivorous fish of the Lower Cretaceous.

Análise dinâmico-mecânica: aplicações em filmes comestíveis

Edible films are thin materials based on biopolymers and food additives. The aim of this work is a review on the application of dynamic mechanical analysis in edible film technology. After a brief review of the linear visco-elasticity theory, a description of some practical aspects related to dynamic mechanical analysis, such as sample fixation and sample dehydration during analysis and types and modes of tests are presented. Thus, the use of temperature scanning analysis for glass transition and for plasticizer-biopolymer compatibility studies and frequency scanning tests, less common in edible film technology, are critically reviewed.

Nanocompósitos cerâmicos a partir do processo de moagem mecânica de alta energia

Pb/Ti, Sn and Mg-based nanocomposite materials were prepared by the high-energy mechanical milling of commercial powders. The surface of these ceramic compounds was strongly influenced by the doping, diameter of the milling spheres and time of the mechanical milling (amorphization process). Such milling leads to the formation of nanocrystalline materials. The mechanical processing parameters of these compounds were investigated through Brunauer, Emmett and Teller isotherms, wide angle X-ray diffraction, transmission electron microscopy and CO2 adsorption.

Remoção de chumbo(II) em sistemas contínuos por carvão ativado com vapor

Fixed-bed column studies were undertaken to evaluate the performance of a commercial Brazilian activated carbon in removing Pb(II) from aqueous environment. Breakthrough points were found out for the metal adsorption by varying different operating parameters like feed concentrations (10 and 20 mg L-1) and bed heights (0.5, 1.5 and 2.8 cm). A good agreement was observed between the experimental data and the values predicted by the bed depth service time (BDST) model. Regeneration of the exhausted columns was possible with HCl, and the adsorption capacity was maintained after three adsorption-desorption cycles.

Determinação da densidade de corrente de corrosão em meios de baixa condutividade: uso de microeletrodos para minimizar a queda ôhmica

The gravimetric and electrochemical tests are the most common techniques used in determining the corrosion rate. However, the use of electrochemical polarization is limited to electrolytes with sufficient conductivity for which Tafel curves are linear. In this study, we investigated a technique in which working microelectrodes of AISI 1020 steel were used to obtain the Tafel curves in diesel oil. The strategy was to reduce the electrode area and hence the ohmic drop. The diameter of the microelectrode was reduced to a value where the compensation of the Tafel curves became unnecessary. The results showed that for electrodes with diameters below 50 μm, the ohmic drop tends to a minimum and independent of the microelectrode diameter.

Efeito da ativação mecânica de uma formulação de talco/caulim/alumina sobre o mecanismo e a cinética de formação de cordierita

In this study, the influence of mechanical activation by intensive ball milling of a stoichiometric mixture of talc, kaolin, and alumina on the mechanism and kinetics of cordierite (2MgO·2Al2O3·5SiO2) formation was evaluated. The raw materials were characterized by chemical analysis, X-ray diffraction (XRD), laser diffraction, and helium pycnometry. The kinetics and mechanism of cordierite formation were studied by XRD, differential thermal analysis, and dilatometry in order to describe the phase formation as a function of temperature (1000-1400 ºC), time of thermochemical treatment (0-4 h), and grinding time of the mixture (0-45 min). Finally, the optimal conditions of the thermochemical treatment that ensured the formation of cordierite were determined: milling time of 45 min and thermal treatment at 1280 ºC for 1 h.

Caracterização mecânica e estrutural de um dispositivo PDLC baseado em hidrogéis de PAAm e cristal líquido liotrópico LP/DeOH/H2O

In this work, a novel device based on polyacrylamide (PAAm) hydrogels and KL - DeOH - H2O lyotropic liquid crystal (LLC), with potential for application as Polymer Dispersed Liquid Crystals (PDLC), was proposed and its properties characterized. The confinement of LLC promoted significant changes in spectroscopic, morphological, optical, hydrophilic, structural and mechanical properties due to the interaction between the LLC-PAAm matrix and entropic parameter changes. The mechanical and structural properties can be controlled by adjusting AAm, temperature and presence of LLC, which can be useful for technological applications of these systems in optical devices.