Correlation of reactivity with structural factors in a series of Fe(II) substituted cobalt ferrites

A series of powdered cobalt ferrites, CoxFe3-xO4 with 0.66 <= x< 1.00 containing different amounts of Fe-II, were synthesized by a mild procedure, and their Fe and Co site occupancies and structural characteristics were explored using X-ray anomalous scattering and the Rietveld refinement method. The dissolution kinetics, measured in 0.1 M oxalic acid aqueous solution at 70 degrees C, indicate in all cases the operation of a contracting volume rate law. The specific rates increased with the Fell content following approximately a second-order polynomial expression. This result suggests that the transfer of Fe-III controls the dissolution rate, and that the leaching of a first layer of ions Co-II and Fe-II leaves exposed a surface enriched in slower dissolving octahedral Fe-III ions. Within this model, inner vicinal lattice Fe-II accelerates the rate of Fe-III transfer via internal electron hopping. A chain mechanism, involving successive electron transfers, fits the data very well. (C) 2006 Elsevier B.V. All rights reserved.

Multivariate quality control studies applied to Ca(II) and Mg(II) determination by a portable method

A portable or field test method for simultaneous spectrophotometric determination of calcium and magnesium in water using multivariate partial least squares (PLS) calibration methods is proposed. The method is based on the reaction between the analytes and methylthymol blue at pH 11. The spectral information was used as the X-block, and the Ca(II) and Mg(II) concentrations obtained by a reference technique (ICP-AES) were used as the Y-block. Two series of analyses were performed, with a month's difference between them. The first series was used as the calibration set and the second one as the validation set. Multivariate statistical process control (MSPC) techniques, based on statistics from principal component models, were used to study the features and evolution with time of the spectral signals. Signal standardization was used to correct the deviations between series. Method validation was performed by comparing the predictions of the PLS model with the reference Ca(II) and Mg(II) concentrations determined by ICP-AES using the joint interval test for the slope and intercept of the regression line with errors in both axes. (C) 1998 John Wiley & Sons, Ltd.

Dielectric properties of soft chemical method derived CaCu3Ti4O12 thin films onto Pt/TiO2/Si(100) substrates

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Stability analysis of power system including facts (TCSC) effects by direct method approach

The problem of power system stability including the effects of a flexible alternating current transmission system (FACTS) is approached. First, the controlled series compensation is considered in the machine against infinite bar system and its effects are taken into account by means of construction of a Lyapunov function (LF). This simple system is helpful in order to understand the form the device affects dynamic and transient performance of the power system. After, the multimachine case is considered and it is shown that the single-machine results apply to multimachine systems. An energy-form Lyapunov function is derived for the power system including the FACTS device and it is used to analyse damping and synchronizing effects due to the FACTS device in single-machine as well as in multimachine power systems. © 2005 Elsevier Ltd. All rights reserved.

An exact series solution for the vibration analysis of cylindrical shells with arbitrary boundary conditions

In this paper, an exact series solution for the vibration analysis of circular cylindrical shells with arbitrary boundary conditions is obtained, using the elastic equations based on Flügge's theory. Each of the three displacements is represented by a Fourier series and auxiliary functions and sought in a strong form by letting the solution exactly satisfy both the governing differential equations and the boundary conditions on a point-wise basis. Since the series solution has to be truncated for numerical implementation, the term exactly satisfying should be understood as a satisfaction with arbitrary precision. One of the important advantages of this approach is that it can be universally applied to shells with a variety of different boundary conditions, without the need of making any corresponding modifications to the solution algorithms and implementation procedures as typically required in other techniques. Furthermore, the current method can be easily used to deal with more complicated boundary conditions such as point supports, partial supports, and non-uniform elastic restraints. Numerical examples are presented regarding the modal parameters of shells with various boundary conditions. The capacity and reliability of this solution method are demonstrated through these examples. © 2012 Elsevier Ltd. All rights reserved.

Study of a series of cobalt(II) sulfonamide complexes: Synthesis, spectroscopic characterization, and microbiological evaluation against M. tuberculosis. Crystal structure of [Co(sulfamethoxazole)2(H 2O)2]·H2O

Nowadays, the research for new and better antimicrobial compounds is an important field due to the increase of immunocompromised patients, the use of invasive medical procedures and extensive surgeries, among others, that can affect the incidence of infections. Another big problem associated is the occurrence of drug-resistant microbial strains that impels a ceaseless search for new antimicrobial agents. In this context, a series of heterocyclic- sulfonamide complexes with Co(II) was synthesized and characterized with the aim of obtaining new antimicrobial compounds. The structural characterization was performed using different spectroscopic methods (UV-Vis, IR, and EPR). In spite of the fact that the general stoichiometry for all the complexes was Co(sulfonamide)2·nH2O, the coordination atoms were different depending on the coordinated sulfonamide. The crystal structure of [Co(sulfamethoxazole)2(H2O)2]·H 2O was obtained by X-ray diffraction showing that Co(II) is in a slightly tetragonal distorted octahedron where sulfamethoxazole molecules act as a head-to-tail bridges between two cobalt atoms, forming polymeric chains. Besides, the activity against Mycobacterium tuberculosis, one of the responsible for tuberculosis, and the cytotoxicity on J774A.1 macrophage cells were evaluated. © 2012 Elsevier B.V. All rights reserved.

Damage detection in nonlinear structures using discrete-time volterra series

Structural damage identification is basically a nonlinear phenomenon; however, nonlinear procedures are not used currently in practical applications due to the complexity and difficulty for implementation of such techniques. Therefore, the development of techniques that consider the nonlinear behavior of structures for damage detection is a research of major importance since nonlinear dynamical effects can be erroneously treated as damage in the structure by classical metrics. This paper proposes the discrete-time Volterra series for modeling the nonlinear convolution between the input and output signals in a benchmark nonlinear system. The prediction error of the model in an unknown structural condition is compared with the values of the reference structure in healthy condition for evaluating the method of damage detection. Since the Volterra series separate the response of the system in linear and nonlinear contributions, these indexes are used to show the importance of considering the nonlinear behavior of the structure. The paper concludes pointing out the main advantages and drawbacks of this damage detection methodology. © (2013) Trans Tech Publications.

The bias in reversing the Box-Cox transformation in time series forecasting: An empirical study based on neural networks

The Box-Cox transformation is a technique mostly utilized to turn the probabilistic distribution of a time series data into approximately normal. And this helps statistical and neural models to perform more accurate forecastings. However, it introduces a bias when the reversion of the transformation is conducted with the predicted data. The statistical methods to perform a bias-free reversion require, necessarily, the assumption of Gaussianity of the transformed data distribution, which is a rare event in real-world time series. So, the aim of this study was to provide an effective method of removing the bias when the reversion of the Box-Cox transformation is executed. Thus, the developed method is based on a focused time lagged feedforward neural network, which does not require any assumption about the transformed data distribution. Therefore, to evaluate the performance of the proposed method, numerical simulations were conducted and the Mean Absolute Percentage Error, the Theil Inequality Index and the Signal-to-Noise ratio of 20-step-ahead forecasts of 40 time series were compared, and the results obtained indicate that the proposed reversion method is valid and justifies new studies. (C) 2014 Elsevier B.V. All rights reserved.

A method for calculating the compliance of bonded-interfaces under shrinkage: Validation for Class I cavities

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Application of the finite element method in Dentistry

The finite element method (FEM) involves a series of computational procedures to calculate the stress in each element, which performs a model solution. Such a structural analysis allows the determination of stress resulting from external force, pressure, thermal change, and other factors. This method is extremely useful for indicating mechanical aspects of biomaterials and human tissues that can hardly be measured in vivo. The results obtained can then be studied using visualization software within the FEM environment to view a variety of parameters, and to fully identify implications of the analysis. Objective: An overview to show application of FEM in dentistry was undertaken. Literature review: This paper shows the basic concept, advances, advantages, limitations and applications of finite element method (FEM) in dentistry. Conclusion: It is extremely important to verify what the purpose of the study is in order to correctly apply FEM.

Application of hte finite element method in Dentistry

Introduction: The finite element method (FEM) involves a series of computational procedures to calculate the stress in each element, which performs a model solution. Such a structural analysis allows the determination of stress resulting from external force, pressure, thermal change, and other factors. This method is extremely useful for indicating mechanical aspects of biomaterials and human tissues that can hardly be measured in vivo. The results obtained can then be studied using visualization software within the FEM environment to view a variety of parameters, and to fully identify implications of the analysis. Objective: An overview to show application of FEM in dentistry was undertaken. Literature review: This paper shows the basic concept, advances, advantages, limitations and applications of finite element method (FEM) in dentistry. Conclusion: It is extremely important to verify what the purpose of the study is in order to correctly apply FEM.

Enamel matrix protein derivative plus synthetic bone substitute for the treatment of mandibular Class II furcation defects: a case series

Objectives: The aim of this study is to report on the treatment of mandibular Class II furcation defects with enamel matrix protein derivative (EMD) combined with a beta TCP/HA (beta-tricalcium phosphate/hydroxyapatite) alloplastic material. Method and Materials: Thirteen patients were selected. All patients were nonsmokers, systemically healthy, and diagnosed with chronic periodontitis; had not taken medications known to interfere with periodontal tissue health and healing; presented one Class II mandibular furcation defect with horizontal probing equal to or greater than 4 mm at buccal site. The clinical parameters evaluated were probing depth (PD), relative gingival margin position (RGMP), relative vertical clinical attachment level (RVCAL), and relative horizontal clinical attachment level (RHCAL). A paired Student t test was used to detect differences between the baseline and 6-month measurements, with the level of significance of .05. Results: After 6 months, the treatment produced a statistically significant reduction in PD and a significant gain in RVCAL and RHCAL, but no observable change in RGMP. RVCAL ranged from 13.77 (+/- 1.31) at baseline to 12.15 (+/- 1.29) after 6 months, with a mean change of -1.62 +/- 1.00 mm (P<.05). RHCAL ranged from 5.54 (+/- 0.75) to 2.92 (+/- 0.92), with a mean change of -2.62 +/- 0.63 mm (P<.05). After 6 months, 76.92% of the patients improved their diagnosis to Class I furcation defects while 23.08% remained as Class II. Conclusion: The present study has shown that positive clinical results may be expected from the combined treatment of Class II furcation defects with EMD and beta TCP/HA, especially considering the gain of horizontal attachment level. Despite this result, controlled clinical studies are needed to confirm our outcomes.

Nonlinear features identified by Volterra series for damage detection in a buckled beam

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Morphology and properties of (Ba, Sr, Ca) titanates synthesized by microwave-assisted hydrothermal method

Ba1-xCaxTiO3, Ba1-xSrxTiO3 and Sr1-xCaxTiO3 (x = 0, 0.25, 0.50, 0.75 and 1) nanoparticles were synthesized using the microwave-assisted hydrothermal method. Samples were prepared for 40 minutes at 140°C under a pressure of 3 MPa using an adapted domestic microwave oven. The samples were characterized by X-Ray diffraction (XRD), scanning electron microscopy (FE-SEM), and Raman, photoluminescence (PL) and ultraviolet-visible (UV-Vis) spectroscopies. XRD data show that ceramic powders have crystalline phases associated with a short-range structural disorder. This structural disorder is confirmed by Raman spectral bands indicating multi-phonon processes and the presence of defects or impurities. Such defects account for a broad band in the photoluminescence spectrum in the green light (460 nm) region for all samples. Gap energy variation, obtained from UV-Vis spectra, suggest a non-uniform band structure of these titanates in accordance with the PL results. The morphology of each sample is changed with doping and varies from a spherical to cubic appearance for energy minimization.

Correlation of photodynamic activity and singlet oxygen quantum yields in two series of hydrophobic monocationic porphyrins

The photodynamic properties of eight hydrophobic monocationic methyl and ruthenium polypyridine complex derivatives of free-base and zinc(II) meso-triphenyl-monopyridylporphyrin series were evaluated and compared using HeLa cells as model. The cream-like polymeric nanocapsule formulations of marine atelocollagen/xanthan gum, prepared by the coacervation method, exhibited high phototoxicity but negligible cytotoxicity in the dark. Interestingly, the formulations of a given series presented similar photodynamic activities but the methylated free-base derivatives were significantly more phototoxic than the respective ruthenated photosensitizers, reflecting the higher photoinduced singlet oxygen quantum yields of those monocationic porphyrin dyes.