Intercalation processes and diffusion paths of lithium ions in spinel-type structured Li(1+x)Ti(2)O(4): Density functional theory study

Intercalation processes and corresponding diffusion paths of Li ions into spinel-type structured Li(1+x)Ti(2)O(4) (0 <= x <= 0.375) are systematically studied by means of periodic density functional theory calculations for different compositions and arrangements. An analysis of the site preference for intercalation processes is carried out, while energy barriers for the diffusion paths have been computed in detail. Our results indicate that the Li insertion is thermodynamically favorable at octahedral sites 16c in the studied composition range, and Li migration from tetrahedral sites 8a to octahedral sites 16c stabilizes the structure and becomes favorable for compositions x >= 0.25. Diffusion paths from less stable arrangements involving Li migrations between tetrahedral and octahedral sites exhibit the lowest energy barrier since the corresponding trajectories and energy profiles take place across a triangle made by three neighboring oxygen anions without structural modification. Theoretical and experimental diffusion coefficients are in reasonable agreement.

A scanning electron microscopic study of the rete testis of the guinea pig

Scanning electron microscopic (SEM) observations of the structure of the rete testis (RT) of guinea pigs preceded by and complemented with stereomicroscopy and light-microscopic studies showed that the RT of this species is predominantly cavitary. An axial and labyrinth-like morphological pattern was also observed in the RT complex, with partially interconnected chambers and epithelium-lined channels accompanying a connective axis observed in the middle portion of the cranial end of the testis. Characteristics of the chordae retis and bullae retis were also visualized in the guinea pig RT and the results are discussed in terms of the morphological patterns observed in the RT of other mammals and of man.

Study of Hybrid Silica-Polyethyleneglycol Xerogels by Eu3+ Luminescence Spectroscopy

Good optical quality Eu3+-doped silica-polyethyleneglycol hybrids were prepared by the sol-gel process. Thermomechanical analysis showed an increase of the glass transition temperature, due to the stiffness of the polymeric network, as the amount of Eu3+ increased. Europium luminescent properties were used to study structural evolution during the sol-gel transition. For lower doping concentrations dried gels present statistical distributions of Eu3+, typical of an amorphous environment, while for higher concentrations a crystalline-like environment of Eu3+ was observed. A broad emission band was observed in the visible part of the electromagnetic spectrum and assigned to the intrinsic emission from the hybrid polymeric network.

Design studies of the magnetic properties of structural materials affecting the magnetic field of high-homogeneity superconducting magnets

Austenitic stainless steel presents phase changes caused by heat treatment and welding processes. Because it represents a problem in the design of high-homogeneity magnets, we have been studying the magnetic properties of Ti alloys for their use instead of stainless steel as structural material for superconducting magnet construction. In this work, we present the comparative study of the influence of magnetic properties of steel and Ti alloys on the magnetic-field homogeneity of a superconducting coil through numerical calculation using the measured magnetic properties. © 2001 Elsevier Science B.V. All rights reserved.

Structural, dielectric and ferroelectric properties of Nb-doped PZT thin films produced by oxide precursor method

Recently, was proposed a chemical method for preparation of ferroelectric thin films based on oxide precursors. In this work, PZT thin films were prepared to attest the viability of this method for cation-substitution. In this study, a small concentration of Nb (5 mol%) was selected as substitute of B-site in ABO 3 structure of PZT. Dielectric and ferroelectric properties of PZT films were studied as a function of cation-substitution. Results for Nb-PZT were compared with PZT films undoped. The values of dielectric constant, at typical 100 kHz frequency, were 358 and 137, for PZT and Nb-PZT films respectively. Remanent polarizations of these films were respectively 7.33 μ C/cm 2 and 13.3 μ C/cm 2 , while the measured coercive fields were 101 kV/cm and 93 kV/cm. As a result, changes on observed dielectric and ferroelectric values confirm the Nb substitution in PZT thin film produced by oxide precursor method. © 2002 Taylor & Francis.

The thrombocyte aggregation process in the turtle Phrynopys hilarii (Chelonia). An ultrastructural study

This study investigates the thrombocyte aggregation process in the South American fresh water turtle (Phrynopys hilarii) using electron microscopy. Blood was taken from surgically exposed lateral neck vessels often turtles Phrynopys hilarii during the spring and summer seasons, when the mean temperature is 37°C. Blood samples were fixed with Karnovsky solution for processing by transmission electron microscopy. The turtle thrombocytes were spindle-shaped with lobulated nuclei. Prominent vesicles and canaliculi were found throughout the cytoplasm. The cytoplasm organelles showed an agranular endoplasmatic reticulum, Golgi complex near the centrioles and scattered free ribosomes. These cells are similar to bird thrombocytes but distinct from fish and frog thrombocytes. Blood clotting time was 5 min ± 30 sec measured by the Lee and White method. Structural alterations resulting from the aggregation process occurred after activation. Thrombocytes developed numerous filopodial projections, an increased number of vacuoles and changed from spindle to spherical shape. P. hilarii thrombocytes have different morphologic characteristics compared to other non-mammalian vertebrate cells. These cells can participate in the aggregation process, as observed in birds.

Structural, cytochemical, immunocytochemical and ultrastructural characterization of blood granulocytes of the roadside hawk Buteo magnirostris (Gmelin, 1788) (Avian, Falconiform)

In the peripheral blood of the roadside hawk, Buteo magnirostris, the following types of granulocytic leucocytes were identified: heterophil, eosinophil and basophil. The heterophils presented acidophilic and spindle shaped granules, the eosinophils possess spherical eosinophilic granules and the basophils showed spherical and basophilic granules. The heterophils and eosinophils presented positive cytochemical reaction to glycogen and basic polyaminoacid, while the eosinophils presented sudanophilic granules, which were also positive for myeloperoxidase. The heterophils, alone, presented positivity for acid phosphatase in some granules and immunoreactivity to TGF-β1 was observed only in the cytoplasm of the eosinophils. Electron microscopy demonstrated the heterophil granules as predominantly spindle shaped, being strongly electron-dense, while the eosinophils had numerous uniformly electron-dense spherical granules and the basophils presented three different types of granules identified according to their electron-density and the aspect of their matrix.

Comparative study using small-angle x-ray scattering and nitrogen adsorption in the characterization of silica xerogels and aerogels

A comparative study using small-angle x-ray scattering (SAXS) and nitrogen adsorption has been carried out in the structural characterization of silica xerogels and aerogels, obtained from tetraethoxysilane sonohydrolysis. The specific surface and the mean pore size as measured by both the techniques were found to be in notable agreement in all cases for aerogels and xerogels. According to the SAXS data, aerogels at 500 °C exhibit a mass fractal structure with fractal dimension D∼2.4 in the range between the correlation length ξ∼5.3 nm and a∼0.75 nm. An experimental method to probe the mass fractal structure of aerogels from exclusively nitrogen adsorption isotherms has been presented. For aerogels at 500 °C, we have found D∼2.4 in the range between the pore width 2rξ∼33 nm and 2ra∼4.5 nm, which is in notable agreement with the SAXS results (D ∼2.4, ξ∼5.3 nm, a∼0.75 nm) if we assign the pore width 2r probed by the Kelvin equation in the adsorption method to the Bragg distance 2π/q associated to the correlation length 1/q probed by SAXS.

Density functional theory calculation of the electronic structure of Ba0.5Sr0.5TiO3: Photoluminescent properties and structural disorder

First-principles quantum-mechanical techniques, based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and deformed asymmetric models for Ba0.5Sr 0.5TiO3. Electronic properties are analyzed and the relevance of the present theoretical and experimental results on the photoluminescence behavior is discussed. The presence of localized electronic levels in the band gap, due to the symmetry break, would be responsible for the visible photoluminescence of the amorphous state at room temperature. Thin films were synthesized following a soft chemical processing. Their structure was confirmed by x-ray data and the corresponding photoluminescence properties measured.

A contribution for nonlinear structural dynamics characterization of cantilever beams

Successful experiments in nonlinear vibrations have been carried out with cantilever beams under harmonic base excitation. A flexible slender cantilever has been chosen as a convenient structure to exhibit modal interactions, subharmonic, superharmonic and chaotic motions, and others interesting nonlinear phenomena. The tools employed to analyze the dynamics of the beam generally include frequency- and force-response curves. To produce force-response curves, one keeps the excitation frequency constant and slowly varies the excitation amplitude, on the other hand, to produce frequency-response curves, one keeps the excitation amplitude fixed and slowly varies the excitation frequency. However, keeping the excitation amplitude constant while varying the excitation frequency is a difficult task with an open-loop measurement system. In this paper, it is proposed a closed-loop monitor vibration system available with the electromagnetic shaker in order to keep the harmonic base excitation amplitude constant. This experimental setup constitutes a significant improvement to produce frequency-response curves and the advantages of this setup are evaluated in a case study. The beam is excited with a periodic base motion transverse to the axis of the beam near the third natural frequency. Modal interactions and two-period quasi-periodic motion are observed involving the first and the third modes. Frequency-response curves, phase space and Poincaré map are used to characterize the dynamics of the beam.

Thermoanalytical study of praziquantel-loaded PLGA nanoparticles

Polymeric nanoparticles have received great attention as potential controlled drug delivery systems. Biodegradable polymers has been extensively used in the development of these drug carriers, and the polyesters such as polylactic acid, polyglycolic acid and their copolymers as poly-lactide-co- glycolide are the most used, considering its biocompatibility and biodegradability. Thermal analysis techniques have been used for pharmaceutical substances for more than 30 years and are routine methods for screening drug-excipient interactions. The aim of this work is to use thermal analysis to characterize PLGA nanoparticles containing a hydrophobic drug, praziquantel. The results show that the drug is in an amorphous state or in disordered crystalline phase of molecular dispersion in the PLGA polymeric matrix and that the microencapsulation process did not interfere with the chemical structure of the polymer, mantaining the structural drug integrity.

Inclusion complex of S(-) bupivacaine and 2-hydroxypropyl- β-cyclodextrin: Study of morphology and cytotoxicity

Local anesthetics (LA) belong to a class of pharmacological compounds that attenuate or eliminate pain by binding to the sodium channel of excitable membranes, blocking the influx of sodium ions and the propagation of the nerve impulse. S (-) bupivacaine (S(-) bvc) is a local anesthetic of amino-amide type, widely used in surgery and obstetrics for sustained peripheral and central nerve blockade. This article focuses on the characterization of an inclusion complex of S(-) bvc in 2-hydroxypropyl-β-cyclodextrin (HP-β-CD). Differential scanning calorimetry, scanning electron microscopy and X-Ray diffraction analysis showed structural changes in the complex. In preliminary toxicity studies, the cell viability tests revealed that the inclusion complex decreased the toxic effect (p<0.001) produced by S(-) bvc. These results suggest that the S(-) bvc:HP-β-CD inclusion complex represents a promising agent for the treatment of regional pain.

Identification of structural parameters for active vibration control

The study of algorithms for active vibration control in flexible structures became an area of enormous interest for some researchers due to the innumerable requirements for better performance in mechanical systems, as for instance, aircrafts and aerospace structures. Intelligent systems, constituted for a base structure with sensors and actuators connected, are capable to guarantee the demanded conditions, through the application of diverse types of controllers. For the project of active controllers it is necessary, in general, to know a mathematical model that enable the representation in the space of states, preferential in modal coordinates to permit the truncation of the system and reduction in the order of the controllers. For practical applications of engineering, some mathematical models based in discrete-time systems cannot represent the physical problem, therefore, techniques of identification of system parameters must be used. The techniques of identification of parameters determine the unknown values through the manipulation of the input (disturbance) and output (response) signals of the system. Recently, some methods have been proposed to solve identification problems although, none of them can be considered as being universally appropriate to all the situations. This paper is addressed to an application of linear quadratic regulator controller in a structure where the damping, stiffness and mass matrices were identified through Chebyshev's polynomial functions.

Brazilian results on structural masonry concrete blocks

The purpose of this paper is to study the mechanical behavior of concrete blocks and prisms when performing axial compression tests within the Brazilian base of knowledge, intending to foment data of this kind for a world-based network. The blocks were built using five different mixtures in which the quantity of cement and the compacting ratio (density) were varied (during the fabrication process). The three-course-high prisms were assembled using 1 cm (0.39 in.) thick full-bedded joints, always trying to leave the mortar's characteristics constant. The axial compression tests were conducted according to Brazilian practice code recommendations, because most of these standards are very similar to international practice codes. The compressive strength, strains, and rupture form of each mixture studied were recorded. Attempts were made to correlate the strength, efficiency ratio (block strength/prism strength) of the prisms, strains, and rupture form; with the quantity of cement and compacting ratio. The data are presented in tables and figures, and the obtained results are discussed throughout the text. Copyright © 2007, American Concrete Institute. All rights reserved.

The influence of seasonalness on the structural characteristics of aquatic humic substances extracted from Negro River (Amazon state) waters: Interactions with Hg(II)

In this work, humic substances were extracted from water samples collected monthly from the Negro River basin in the Amazon state (Brazil) to study their properties in the Amazonian environment and interactions with the mercury ion considering the influence of seasonalness in this formation. The C/H, C/N and C/O atomic ratio parameters, functional groups, concentration of semiquinone-type free radicals, pH, pluviometric and fluviometric indices, and mercury concentrations were interpreted using hierarchical cluster analysis (HCA) and principal component analysis (PCA). The statistical analyses showed that when the pluviometric index was greater and the fluviometric index was smaller, the degree of humification of aquatic substances was greater. The following decreasing order of the degree of humification of the AHS collected monthly was established: Nov/02 to Feb/03 > Mar/02 to May/02 > Jun/02 to Oct/02. The greatest concentrations of mercury were detected in more humidified samples. These results suggest that due to inter and/or intra-molecular rearrangements, the degree of humification of aquatic humic substances is related to its affinity for Hg(II) ions. ©2007 Sociedade Brasileira de Química.