Electron paramagnetic resonance and the thermoluminescence emission mechanism of the 280 degrees C peak in natural andalusite crystal

Samples of natural andalusite (Al(2)SiO(5)) crystal have been investigated in terms of thermoluminescence (TL) and electron paramagnetic resonance (EPR) measurements. The TL glow curves of samples previously annealed at 600 degrees C for 30 min and subsequently gamma-irradiated gave rise to four glow peaks at 150, 210, 280 and 350 degrees C. The EPR spectra of natural samples heat-treated at 600 degrees C for 30 min show signals at g = 5.94 and 2.014 that do not change after gamma irradiation and thermal treatments. However, it was observed that the appearance of a paramagnetic center at g=1.882 for the samples annealed at 600 degrees C for 30 min followed gamma irradiation. This line was attributed to Ti(3+) centers. The EPR signals observed at g=5.94 and 2.014 are due to Fe(3+). Correlations between EPR and TL results of these crystals show that the EPR line at g=1.882 and the TL peak at 280 degrees C can be attributed to the same defect center. (C) 2011 Elsevier B.V. All rights reserved.

Interaction of polysaccharide-protein complex from Agaricus blazei with Langmuir and Langmuir-Blodgett films of phospholipids

The use of natural substances in health applications may be hampered by the difficulties in establishing the mechanisms of action, especially at molecular-level. The protein-polysaccharide complex extracted from the mushroom Agaricus blazei Murill, referred to as CAb, has been considered for treating various diseases with probable interaction with cell membranes. In this study, we investigate the interaction between CAb and a cell membrane model represented by a Langmuir monolayer of dimyristoyl phosphatidic acid (DMPA). CAb affects the structural properties of DMPA monolayers causing expansion and increasing compressibility. In addition, interaction with DMPA polar heads led to neutralization of the electrical double layer, yielding a zero surface potential at large areas per molecule. CAb remained at the interface even at high surface pressures, which allowed transfer of Langmuir-Blodgett (LB) films onto solid supports with the CAb-DMPA mixture. The mass transferred, according to quartz crystal microbalance (QCM) measurements, increased linearly with the number of deposited layers. With UV-vis absorption, fluorescence and FTIR spectroscopies, we confirmed that the LB films contain polysaccharides, proteins and DMPA. Therefore, the CAb biological action must be attributed not only to polysaccharides but also to proteins in the complex. (C) 2008 Elsevier Inc. All rights reserved.

Prigogine-Defay Ratio for an Ionic Glass-Former: Molecular Dynamics Simulations

The pressure dependence of the glass-transition temperature, T(g)(P), of the ionic glass-former 2Ca(NO(3))(2) center dot 3KNO(3), CKN, has been obtained by molecular dynamics (MD) simulations The liquid-glass difference of thermal expansivity, Delta alpha, heat capacity, Delta C(p), and isothermal compressibility, Delta kappa, have been calculated as a function of pressure. It has been found that the Ehrenfest relation dT(g)/dP = TV Delta alpha/Delta C(p) predicts the pressure dependence of T, but the other Ehrenfest relation, dT(g)/dP = Delta kappa/Delta alpha, does not. Consequently, the Prigogine-Defay ratio, Pi = Delta C(p)Delta kappa/TV Delta alpha(2), is Pi similar to 1.2 at low pressures, but increases 1 order of magnitude at high pressures. The pressure dependence of the Prigogine-Defay ratio is interpreted in light of recent explanations for the finding Pi > 1.

Provenance-based Validation of E-Science Experiments

E-Science experiments typically involve many distributed services maintained by different organisations. After an experiment has been executed, it is useful for a scientist to verify that the execution was performed correctly or is compatible with some existing experimental criteria or standards, not necessarily anticipated prior to execution. Scientists may also want to review and verify experiments performed by their colleagues. There are no existing frameworks for validating such experiments in today's e-Science systems. Users therefore have to rely on error checking performed by the services, or adopt other ad hoc methods. This paper introduces a platform-independent framework for validating workflow executions. The validation relies on reasoning over the documented provenance of experiment results and semantic descriptions of services advertised in a registry. This validation process ensures experiments are performed correctly, and thus results generated are meaningful. The framework is tested in a bioinformatics application that performs protein compressibility analysis.

Mapeamento e caracterização geomecânica das unidades geotécnicas de solos oriundos dos granitos, gnaisses e migmatitos de Porto Alegre

O trabalho consta do estudo do meio físico geotécnico do município de Porto Alegre visando a identificação e caracterização de unidades geotécnias, formadas por associações de solos com características físico-morfológicas e origem semelhantes. As unidades geotécnicas são definidas por um estudo de escritório baseado em levantamentos geológicos, pedológicos, topográficos e geográficos e também com o auxílio de fotografias aéreas, acompanhado de uma investigação de campo com a amostragem de perfis das diferentes unidades estimadas. Uma carta com a ocorrência das unidades geotécnicas e com a representação das estruturas geológicas de maior importância geotécina é construída. Destaque é dado ás unidades geotécnicas de solos subtropicais oriundos dos granitos, gnaisses e migmatitos. E executada uma avaliação das características físicas (mineralogia, granulometria, plasticidade, e índices físicos) e propriedades geotécnicas (compressibilidade, colapsividade e resistência ao cisalhamento) dos solos dos principais horizontes de perfis típicos destas unidades. São utilizados ensaios de caracterização, análises mineralógicas de rochas por lâminas delgadas, análises mineralógicas de argilas por meio de difratograma de raio X, ensaios de compressão confinada e ensaios de cisalhamento direto. Os resultados são apresentados em função dos principais horizontes de solos das unidades geotécnicas , são eles horizontes saprolíticos, formados por solo residual que ainda apresentam minerais primários e vestígios estruturais da rocha de origem e horizontes superficiais muitas das vezes laterizados. A análise foi feita à luz dos processos de formação e dos decorrentes fatores que determinam o comportamento geotécnico destes solos de intemperismo subtropical.

Otimização de vazão de poços injetores em projeto de injeção de água utilizando simulação por linhas de fluxo

Until the early 90s, the simulation of fluid flow in oil reservoir basically used the numerical technique of finite differences. Since then, there was a big development in simulation technology based on streamlines, so that nowadays it is being used in several cases and it can represent the physical mechanisms that influence the fluid flow, such as compressibility, capillarity and gravitational segregation. Streamline-based flow simulation is a tool that can help enough in waterflood project management, because it provides important information not available through traditional simulation of finite differences and shows, in a direct way, the influence between injector well and producer well. This work presents the application of a methodology published in literature for optimizing water injection projects in modeling of a Brazilian Potiguar Basin reservoir that has a large number of wells. This methodology considers changes of injection well rates over time, based on information available through streamline simulation. This methodology reduces injection rates in wells of lower efficiency and increases injection rates in more efficient wells. In the proposed model, the methodology was effective. The optimized alternatives presented higher oil recovery associated with a lower water injection volume. This shows better efficiency and, consequently, reduction in costs. Considering the wide use of the water injection in oil fields, the positive outcome of the modeling is important, because it shows a case study of increasing of oil recovery achieved simply through better distribution of water injection rates

Novos sistemas de liberação de fármacos à base de xilana

The aim of this work was to perform the extraction and characterization of xylan from corn cobs and prepare xylan-based microcapsules. For that purpose, an alkaline extraction of xylan was carried out followed by the polymer characterization regarding its technological properties, such as angle of repose, Hausner factor, density, compressibility and compactability. Also, a low-cost and rapid analytical procedure to identify xylan by means of infrared spectroscopy was studied. Xylan was characterized as a yellowish fine powder with low density and poor flow properties. After the extraction and characterization of the polymer, xylan-based microcapsules were prepared by means of interfacial crosslinking polymerization and their characterization was performed in order to obtain gastroresistant multiparticulate systems. This work involved the most suitable parameters of the preparation of microcapsules as well as the study of the process, scale-up methodology and biological analysis. Magnetic nanoparticles were used as a model system to be encapsulated by the xylan microcapsules. According to the results, xylan-based microcapsules were shown to be resistant to several conditions found along the gastrointestinal tract and they were able to avoid the early degradation of the magnetic nanoparticles

Avaliação da compressibilidade de um Nitossolo Vermelho distroférrico sob sistema plantio direto, preparo convencional e mata nativa

Os efeitos do tráfego de máquinas nos atributos do solo de acordo com o tempo de adoção do sistema plantio direto são ainda pouco pesquisados em ambientes tropicais, e muitas dúvidas ainda persistem sobre a variação dinâmica da estrutura do solo e a sua interação com máquinas e equipamentos. Objetivou-se com este estudo avaliar o efeito do tempo de adoção do sistema plantio direto, comparativamente com área de mata nativa e de preparo convencional, usando os modelos de compressibilidade do solo. O estudo foi realizado em um Nitossolo Vermelho distroférrico, sob mata nativa (MN), preparo convencional (PC), plantio direto com um ano (PD1), plantio direto com quatro anos (PD4), plantio direto com cinco anos (PD5) e plantio direto com 12 anos (PD12). Amostras indeformadas e deformadas foram coletadas em duas profundidades (0-5 e 10-15 cm). O tempo de adoção do sistema plantio direto alterou o comportamento compressivo dos solos em ambas as profundidades, por meio das mudanças na pressão de preconsolidação. A profundidade de 0-5 cm apresentou menor capacidade de suporte de carga do que a profundidade de 10-15 cm. A profundidade de 0-5 cm, em todos os sistemas de manejo, mostrou-se mais susceptível à compactação em relação à profundidade de 10-15 cm. Os sistemas de plantio direto e convencional apresentaram a capacidade de suporte de carga crescente na seguinte ordem: PD5 < PD12 < PD1 < PD4 @ PC, para a profundidade de 0-5 cm e para a profundidade de 10-15 cm: MN @ PD12 < PC @ PD4 < PD5, enquanto o sistema PD1 apresentou comportamento diferenciado.

Obtenção de Propriedades Físico-Químicas de Misturas de Hidrocarbonetos em Baixa e Alta Pressão Visando a Caracterização e a Modelagem

The composition of petroleum may change from well to well and its resulting characteristics influence significantly the refine products. Therefore, it is important to characterize the oil in order to know its properties and send it adequately for processing. Since petroleum is a multicomponent mixture, the use of synthetic mixtures that are representative of oil fractions provides a better understand of the real mixture behavior. One way for characterization is usually obtained through correlation of physico-chemical properties of easy measurement, such as density, specific gravity, viscosity, and refractive index. In this work new measurements were obtained for density, specific gravity, viscosity, and refractive index of the following binary mixtures: n-heptane + hexadecane, cyclohexane + hexadecane, and benzene + hexadecane. These measurements were accomplished at low pressure and temperatures in the range 288.15 K to 310.95 K. These data were applied in the development of a new method of oil characterization. Furthermore, a series of measurements of density at high pressure and temperature of the binary mixture cyclohexane + n-hexadecane were performed. The ranges of pressure and temperature were 6.895 to 62.053 MPa and 318.15 to 413.15 K, respectively. Based on these experimental data of compressed liquid mixtures, a thermodynamic modeling was proposed using the Peng-Robinson equation of state (EOS). The EOS was modified with scaling of volume and a relatively reduced number of parameters were employed. The results were satisfactory demonstrating accuracy not only for density data, but also for isobaric thermal expansion and isothermal compressibility coefficients. This thesis aims to contribute in a scientific manner to the technological problem of refining heavy fractions of oil. This problem was treated in two steps, i.e., characterization and search of the processes that can produce streams with economical interest, such as solvent extraction at high pressure and temperature. In order to determine phase equilibrium data in these conditions, conceptual projects of two new experimental apparatus were developed. These devices consist of cells of variable volume together with a analytical static device. Therefore, this thesis contributed with the subject of characterization of hydrocarbons mixtures and with development of equilibrium cells operating at high pressure and temperature. These contributions are focused on the technological problem of refining heavy oil fractions

Semisolid systems containing propolis for the treatment of periodontal disease: In vitro release kinetics, syringeability, rheological, textural, and mucoadhesive properties

Formulations containing poloxamer 407 (P407), carbopol 934P (C934P), and propolis extract (PE) were designed for the treatment of periodontal disease. Gelation temperature, in vitro drug release, rheology, hardness, compressibility, adhesiveness, mucoadhesion, and syringeability of formulations were determined. Propolis release from formulations was controlled by the phenomenon of relaxation of polymer chains. Formulations exhibited pseudoplastic flow and low degrees of thixotropy or rheopexy. In most samples, increasing the concentration of C934P content significantly increased storage modulus (G'), loss modulus (G ''), and dynamic viscosity (n') at 5 degrees C, G '' exceeded G'. At 25 and 37 degrees C, n' of each formulation depended on the oscillatory frequency. Formulations showed thermoresponsive behavior, existing as a liquid at room temperature and gel at 34-37 degrees C. Increasing the C934P content or temperature significantly increased formulation hardness, compressibility, and adhesiveness. The greatest mucoadhesion was noted in the formulation containing 15% P407 (w/w) and 0.25% C934P (w/w). The work of syringeability values of all formulations were similar and very desirable with regard to ease of administration. The data obtained in these formulations indicate a potentially useful role in the treatment of periodontitis and suggest they are worthy of clinical evaluation. (c) 2007 Wiley-Liss, Inc.

Xylan from corn cobs, a promising polymer for drug delivery: Production and characterization

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

A new approach to the granulation of beta-cyclodextrin inclusion complexes

Cyclodextrins (CDs) are annular oligosaccharides containing 6-12 glucose unities joined together by alpha-1,4 bonds. They have a conical-truncated shape with a lipophilic cavity in which different molecules can be included resulting in a stable inclusion complex. The cyclodextrins have been widely applied in pharmaceutical technology with the objective of increasing the solubility, stability and bioavailability of drugs in different pharmaceutical dosage forms, such as tablets. In order to obtain beta-CD tablets, liquid dispersions of drug/beta-CD are usually submitted to different drying processes, like spray-drying, freeze-drying or slow evaporation, being this dry material added to a number of excipients. However, such drying processes can generate particulate materials showing problems of flow and compressibility, needing their conversion into granulates by means of wetting with granulation liquid followed by additional drying. In this work, the main objective was to evaluate the preparation of tablets without the need of this additional drying step. For this purpose an aqueous dispersion containing acetaminophen/beta-CD complex and cornstarch was dried using a spouted bed and the obtained granules were compressed in tablets. Acetaminophen was used as model drug due to its low water solubility and the inexpensive and widely available cornstarch was chosen as excipient. Acetaminophen powder was added into a beta-cyclodextrin solution prepared in distilled water at 70 degrees C. Stirring was kept until this dispersion cooled to room temperature. Then cornstarch was added and the resulting dispersion was dried in spouted bed equipment. This material was compressed into tablets using an Erweka Korsh EKO tablet machine. This innovative approach allowed the tablets preparation process to be carried out with fewer steps and represents a technological reliable strategy to produce beta-cyclodextrin inclusion complexes tablets. (C) 2010 Elsevier By. All rights reserved.

Static simulation of bulk and selected surfaces of anatase TiO2

A theoretical investigation has been carried out to characterize bulk and selected surfaces of anatase TiO2. The calculations are performed using a B3LYP hybrid functional and 6-31G basis set within the periodic density functional approximation. Optimization procedures have been employed to determine the equilibrium geometry of the crystal and slab surface models. The compressibility, band structure, and the bulk and surface charge distributions are reported. The surface relative energies are identified to follow the sequence: (001) < (101) < (100) much less than (110) < < < (111), from the most stable surface to the least stable one. Relaxation of (001) and (101) surfaces are moderate, with no displacements exceeding; approximate to0.19 Angstrom. The theoretical results are compared with previous theoretical studies and available experimental data. (C) 2001 Elsevier B.V. B.V. All rights reserved.

Advances in ultrasound techniques improve early detection of deep vein thrombosis

Aim. This study aimed at assessing the accuracy of ultrasound (US) in the diagnosis of recent deep vein thrombosis (DVT) in an experimental study in dogs.Methods. Design: blinded and randomized experimental study. Twenty dogs were randomly divided in two groups: control group (CG) and thrombosis group (TG). US was performed in the pre- and postoperative period. Phlebography was performed immediately prior to the postoperative US. After the second US, a surgery was performed to detect whether thrombus was present or not. US results were compared to those of phlebography and surgical findings.Results. in all dogs, inferior vena cava (IVC) was compressible. The relations of IVC diameter with the aorta were higher (P<0.005) in TG than in CG. Spectral Doppler in spontaneous breathing, tissue harmonic imaging, power Doppler and B flow showed sensitivity, specificity and accuracy of 1. Phlebography presented sensitivity of 90%, specificity of 80% and accuracy of 85%, when compared to surgical finding.Conclusion. For the diagnosis of recent DVT in the experimental model used, venous compressibility proved to be inefficient. The ratio of WC diameter to aorta, when increased, suggests thrombosis. The use of new US technological advances increases accuracy. Phlebography was less accurate than US.

O papel do mapeamento dúplex no diagnóstico da trombose venosa profunda assintomática dos membros inferiores

O diagnóstico da trombose venosa profunda sintomática está bem estabelecido com o uso do mapeamento dúplex, que apresenta sensibilidade de 100% e especificidade de 98%, para trombose venosa profunda proximal, e sensibilidade de 94% e especificidade de 75%, para distal. Na trombose venosa profunda recente e assintomática, o diagnóstico com o mapeamento dúplex ainda não está bem estabelecido, mostrando uma queda na acurácia desse método diagnóstico. Essa queda é devida ao fato de o trombo recente não ser oclusivo, apresentar a mesma ecogenicidade do sangue e uma consistência diminuída, prejudicando o teste da compressibilidade, que é o mais sensível para diagnóstico da trombose venosa profunda. Nesta revisão, serão revistos artigos publicados que avaliaram a acurácia do mapeamento dúplex no diagnóstico da trombose venosa profunda assintomática.