Protein-Ion Binding Process on Finite Macromolecular Concentration. A Poisson-Boltzmann and Monte Carlo Study

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Sinterização de filmes finos de LiNbO3 em forno microondas: estudo da influência da direção do fluxo de calor

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

Thermal and mechanical properties of PVDF/PANI blends

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

Study of potassium additive on the phase formation and ferroelectric properties of 0.9PMN-0.1PT ceramics

A recent and innovative method to include Ti into the columbite precursor has permitted to synthesize 0.9PMN-0.1PT powders with high homogeneity. The present work describes this methodology, named modified columbite method, showing that the reaction between MN(T)and PbO at 800 degrees C for 2 h results in perovskite single-phase. The crystal structure alterations in the columbite and perovskite phases obtained by this methodology and the effects of potassium doping were investigated by the Rietveld method. Changes in the powder morphology, density and weight loss during the sintering process were also studied. Conclusively, potassium does not affect significantly the perovskite amount, but reduces the particle and grain sizes. This dopant also changes the relaxor behavior of 0.9PMN-0.1 PT ceramic, reducing the dielectric loss and enhancing the diffuseness of the phase transition. (C) 2005 Published by Elsevier Ltd and Techna Gronp S.r.l.

Effect of the heat flux direction on electrical properties of SrBi2Nb2O9 thin films crystallized using a microwave oven

Ferroelectric SrBi2Nb2O9 (SBN) thin films were prepared by the polymeric precursors method and deposited by spin coating onto Pt/Ti/SiO2/Si substrate and crystallized using a domestic microwave oven. It was studied the influence of the heat flux direction and the duration of the thermal treatment on the films crystallization. An element with high dielectric loss, a SiC susceptor, was used to absorb the microwave energy and transfers the heat to the film. Influence of the susceptor position to the sample crystallization was verified, the susceptor was, placed or below the substrate or above the film. The SBN perovskite phase was observed after a thermal treatment at 700 degreesC for 10 min when the susceptor was placed below the substrate and for 30 min when the susceptor was placed above the film. Electrical measurements revealed that the film crystallized at 700 degreesC for 10 min, with the susceptor placed below the film, presented dielectric constant, dielectric loss, remanent polarization and coercive field of, 67, 0.011, 4.2 muC/cm(2) and 27.5 kV/cm, respectively. When the films were crystallized at 700 degreesC for 30 min, with the susceptor placed above the film, the dielectric constant was 115 and the dissipation factor was around of 0.033, remanent polarization and coercive field were 10.8 muC/cm(2) and 170 kV/cm, respectively. (C) 2003 Elsevier B.V. All rights reserved.

Effect of the excess of bismuth on the morphology and properties of the BaBi2Ta2O9 ceramics

In this study, the effect of bismuth content on the crystal structure, morphology and electric properties of barium-bismuth-tantalate (BBT) ceramics was explored with the aid of X-ray diffraction (XRD), scanning electron microcopy (SEM), dielectric properties and ferroelectric hysteresis loops. BaBi2Ta2O9 (BBT) ceramics have been successfully prepared by the solid-state reaction. The BBT phase was crystallized at 900 degreesC for 2 h. The excess of bismuth controls the grain size, affecting the density of the material. Measurements of dieletric constant and dieletric losses confirm that the material is a ferroeletric with a Curie temperature around 77 degreesC. The dieletric constant measured at room temperature was 400, with a dielectric loss of 0.03. Both the phase-transition behaviour and ferroelectric properties, such as spontaneous polarization (P-s), showed a dependence on Bi content. (C) 2004 Elsevier B.V. All rights reserved.

A critical investigation of the Tanford-Kirkwood scheme by means of Monte Carlo simulations

Monte Carlo simulations are used to assess the adequacy of the Tanford-Kirkwood prescription for electrostatic interactions in macromolecules. Within a continuum dielectric framework, the approach accurately describes salt screening of electrostatic interactions for moderately charged systems consistent with common proteins at physiological conditions. The limitations of the Debye-Huckel theory, which forms the statistical mechanical basis for the Tanford-Kirkwood result, become apparent for highly charged systems. It is shown, both by an analysis of the Debye-Huckel theory and by numerical simulations, that the difference in dielectric permittivity between macromolecule and surrounding solvent does not play a significant role for salt effects if the macromolecule is highly charged. By comparison to experimental data, the continuum dielectric model (combined with either an approximate effective Hamiltonian as in the Tanford-Kirkwood treatment or with exact Monte Carlo simulations) satisfactorily predicts the effects of charge mutation on metal ion binding constants, but only if the macromolecule and solvent are assigned the same or similar permittivities.

Preparation of Pb(Zr,Ti)O-3 thin films by soft chemical route

Lead zirconate titanate, Pb(Zr0.3Ti0.7)O-3 (PZT) thin films were prepared with success by the polymeric precursor method. Differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), Fourier-transform infrared spectroscopy (FT-IR), Micro-Raman spectroscopy and X-ray diffraction (XRD) were used to investigate the formation of the PZT perovskite phase. X-ray diffraction revealed that the film showed good crystallinity and no presence of secondary phases was identified. This indicates that the PZT thin films were crystallized in a single phase. PZT thin films showed a well-developed dense grain structure with uniform distribution, without the presence of rosette structure. The Raman spectra undoubtedly revealed these thin films in the tetragonal phase. For the thin films annealed at the 500-700 degreesC range, the vibration modes of the oxygen sublattice of the PZT perovskite phase were confirmed by FT-IR. The room temperature dielectric constant and dielectric loss of the PZT films, measured at 1 kHz were 646 and 0.090, respectively, for thin film with 365 nm thickness annealed at 700 degreesC for 2 h. A typical P-E hysteresis loop was observed and the measured values of P-s, P-r and E-c were 68 muC/cm(2), 44 muC/cm(2) and 123 kV/cm, respectively. The leakage current density was about 4.8 x 10(-7) A/cm(2) at 1.5 V. (C) 2003 Elsevier Ltd. All rights reserved.

Electrical Properties of Textured Niobium-Doped Bismuth Titanate Ceramics

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

Organic-inorganic hybrids prepared by carboxylic acid solvolysis: Planar waveguides

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

Investigation of Ferroelectric Layered Perovskite Barium Bismuth Tantalate Prepared by Solid-State Reaction

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

Tolerância de perdas de solo na bacia do rio Itiquira, Mato Grosso, Brasil

The geographic area of the present study corresponds to the basin of the Itiquira river high course (Figure 1), in the portion that extends from the tributaries of its source, in the east of the plateau Correntes/Itiquira, in the neighbourhoods the city of Alto Garç as, to the scarp of the São Jerônimo mountain range, toward the west of Itiquira, in the state of Mato Grosso, totalizing 5,361 km 2. The area is placed in the eastern part of the Alto Paraguai basin, in the western portion of the Paraná Sedimentary Basin plateau. Through GIS techniques, it was possible to asses total soil losses from the Itiquira river basin, considering the years of 1966, 1985 and 1996, being based on the Universal Soil Loss Equation. Thus, in 1966 the basin lost 201,546.94 ton of soil, with an average loss of 0.37 ton/ha/year. Considering that the total area of the Itiquira river basin is of 536,100 ha, while in 1985 the soil losses had passed to 1,760,833.40 ton, with an increase of approximately 8.5 times. The average of soil losses in 1985 was of 3.28 ton/ha/year. In 1996 the basin lost 1,662,043.24 ton, with a reduction of only 9.4% in relation to 1985 but, in relation the 1966, the increase continued in the order of 8 times. The average losses per hectare in this year was in the order of 3.10 ton/ha/year (Chart 1). The map of potential of the laminar erosion for 1966 (Figure 3), shows to the highest values in small areas, situated in the northeast of the area, in Alto Garças, with values between 10 the 20 ton/ha/year and some spots in sources of the Itiquira and Ariranha rivers, with values between 1 the 5 ton/ha/year. In a general way, however, the area presents low soil loss for laminar erosion in this year, with inferior values to 1 ton/ha/year. The higher class of erosion, over 10 ton/ha/year, occupied 2,947 ha in 1966. In the year of 1985 (Figure 4), the erosive process spread over the entire studied area, and the class of erosion over of 10 ton/ha/year, already started to occupy 78,437 ha, implying an increase of approximately 27 times in 19 years. A strong increment in the erosive process was noticed in the western part of the area, to along the BR-163 road, exactly where great areas of natural vegetation (open pasture) had been transformed in culture and pasture areas. In the north-eastern part of the area it was also noticed an increment in the erosive process in agreement with the increase of culture areas and reduction of the natural areas, but it was not of so intense form as in the western portion of the area. In the year of 1996 (Figure 5), the class of erosion over of 10 ton/ha/year had diminished for a total of 53.499 ha noticing a retraction of the erosive process in the western part of the area, alongside the BR-163 road. On the other hand, it occurred a strong increment in the northern part of the area, in the neighbourhoods of the city of Alto Garças, alongside the BR-364 road and part of the MT-040 road. In a general way, in the outskirts of the city of Itiquira, in the central part of the area, it was verified an increase of the amount of zones with erosion between 0-1 ton/ha/year, passing to the immediately superior class, of 1-3 ton/ha/year; scarce data of hydrosedimentology in the UHE Itiquira (1999), shows good agreement with the values gotten for the EUPS (Chart 2). Based on the hydric classification proposal for FAO (1967) (Chart 3), it is noticed that areas with high degree of erosion (> 50) in the analysed area are very restricted, occupying 493 ha in 1985 and 332 ha in 1996 (Chart 4). In 1996 appeared as isolated spots in the north of Itiquira and Alto Garças, however beyond limits of the Itiquira river basin. These areas require special cares in its use as agricultural areas. Aiming at identifying and indicating the areas of potential risk of erosion and that need implementation of conservation practices, it was elaborated the map of limit of tolerance to the soil losses. In 1966 (Figure 6), areas with soil losses over of the tolerable were restricted to small spots located in the eastern part of the area, occupying 0.43% of the total of the area; already in 1985 (Figure 7), this percentage passed to 5.86%, spreading for all the area; in 1996 (Figure 8) it is observed a fast reduction of the areas with soil losses over of the tolerance limit, passing 5.43% of the total of the area. All the areas with losses over of the tolerable value must be considered as risk areas and were done in these areas studies for implementation of conservation practices.

Structure and properties of Ti4+-Ureasil organic-inorganic hybrids

Hybrid planar waveguides were prepared from Ti4+-acetylacetone (acac)-Ureasil sols deposited on glass substrates. Structural features have been investigated by spectroscopic measurements (Fourier Transform Infrared Spectroscopy (FTIR), X-ray Photoelectron Spectroscopy (XPS) and Raman scattering) and Small Angle X-ray Scattering (SAXS). Addition of Ti 4+-acac to the ureasil (Ti:Si molar ratio 1:1) leads to the formation of bonds between the Ti complex and the siloxane groups, whereas further addition of Ti4+ (Ti:Si molar ratio 5:1) leads to the additional formation of titanium-rich nanoclusters. The optical parameters of the waveguides such as refractive index, thickness, propagating modes and attenuation coefficient were measured at 632.8, 543.5 and 1550 nm by the prism coupling technique. The refractive index can be tuned by the Ti4+ relative content. The few microns thick planar waveguides support well confined propagating modes with low attenuation loss for all compositions. ©2006 Sociedade Brasileira de Química.

Magnetoelectric coefficient in strontium ruthenate buffered lanthanum modified bismuth ferrite thin films grown by chemical method

This paper focuses on the magnetoelectric coupling (ME) at room temperature in lanthanum modified bismuth ferrite thin film (BLFO) deposited on SrRuO 3-buffered Pt/TiO 2/SiO 2/Si(100) substrates by the soft chemical method. BLFO film was coherently grown at a temperature of 500 °C. The magnetoelectric coefficient measurement was performed to evidence magnetoelectric coupling behavior. Room temperature magnetic coercive field indicates that the film is magnetically soft. The maximum magnetoelectric coefficient in the longitudinal direction was close to 12 V/cmOe. Dielectric permittivity and dielectric loss demonstrated only slight dispersion with frequency due the less two-dimensional stress in the plane of the film. Polarization reversal was investigated by applying dc voltage through a conductive tip during the area scanning. We observed that various types of domain behavior such as 71 ° and 180° domain switching, and pinned domain formation occurred. Copyright © 2009 American Scientific Publishers All rights reserved.

Nanoscale effects and polaronic relaxation in CaCu3Ti 4O12 compounds

In the present communication, by using dielectric spectroscopy measurement, the correlations between Nanosized Barrier Layer Capacitance (NBLC) (Bueno et al. (2009) [7]) and the high frequency polaronic near-Debye dipolar relaxation found in CaCu3Ti4O12 compounds was discussed. The polaronic process was confirmed to be closely associated with the ultrahigh dielectric features of CaCu3Ti4O12 materials and its concomitant dielectric loss. Herein, the shift in relaxation frequency as a function of temperature was used for calculating the activation energy for hopping electronic conduction. The value obtained was 33 meV, an energy whose magnitude is compatible and confirmed the hypothesis of polaronic features for this high frequency dipolar relaxation process. Furthermore, it is shown that the nanosized barrier inferred from the NBLC model has a polaronic feature with dielectric permittivity exiting orthogonally to dielectric loss, a phenomenological pattern that contradicts the normally observed behavior for traditional dielectrics but explain the dielectric and conductivity feature of CaCu3Ti4O12 compounds. © 2010 Elsevier Ltd. All rights reserved.