Reply to Comment on 'Pb1-xCaxTiO3 solid solution (x=0.0, 0.25, 0.50, and 0.75): A theoretical and experimental approach'

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

Aerosol and precipitation chemistry measurements in a remote site in Central Amazonia: the role of biogenic contribution

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

EXAFS and XRD analyses of the structural evolutions involved during drying of SnO2 hydrogels

In order to determine structural changes during drying of inorganic gels, the local and long-range order structure of SnO2-x(OH)2x xerogels resulting from drying hydrogels with different concentrations of electrolyte (Cl- and NH+ 4) have been measured by extended X-ray absorption fine structure (EXAFS), X-ray diffraction (XRD) and N2 adsorption techniques. EXAFS measurements performed at the Sn K edge on the hydrogels and xerogels show the existence of microcrystallites with the cassiterite structure. Two drying modes have been used: freeze drying and drying by evaporation at 45°C. It is shown that the microcrystallite size determined by XRD and EXAFS techniques on the drying mode and on the electrolyte concentrations. The microcrystallite size measured on the freeze dried xerogels is similar to that of their parent hydrogels, whatever the concentration of electrolyte; however, during drying by evaporation, a preferential growth of microcrystallites along the c-axis of the cassiterite structure is observed. The size of these crystallites is enhanced with a decrease of the electrolyte concentration. Specific surface areas calculated by the Brunauer-Emmett-Teller method indicate that this preferential growth is related to the improvement of the network connectivity. The comparison of both drying processes indicates that crystallization and polycondensation are independent phenomena. © 1995 Elsevier Science B.V. All rights reserved.

Magnetic properties of spinel-type oxides NiMn2-xMexO4

New materials, based on the well-known spinel compound NiMn 2O4, have been synthesized and characterized from the magnetic point of view. The manganese cation was partially substituted in the general formula NiMn2-xMexO4, by nonmagnetic and magnetic elements, such as Me = Ga, Zn, Ni and Cr (0 × 1). Prior to the determination of their magnetic properties, the non-substituted spinel NiMn2O4 was carefully characterized and studied as a function of the oxygen stoichiometry, based on the influence of the annealing atmosphere and quenching rate. The ferrimagnetic character was observed in all samples, with a paramagnetic-to-ferromagnetic transition temperature T c stabilized at 110 K, and well defined long-range antiferromagnetic interactions at lower temperatures, which depend on the applied field and the substitute concentration. © 2006 Sociedad Chilena de Química.

Developing new radiotherapy techniques using linac based gamma radiation sources

A major challenge in cancer radiotherapy is to deliver a lethal dose of radiation to the target volume while minimizing damage to the surrounding normal tissue. We have proposed a model on how treatment efficacy might be improved by interfering with biological responses to DNA damage using exogenous electric fields as a strategy to drastically reduce radiation doses in cancer therapy. This approach is demonstrated at this Laboratory through case studies with prokaryotes (bacteria) and eukaryotes (yeast) cells, in which cellkilling rates induced by both gamma radiation and exogenous electric fields were measured. It was found that when cells exposed to gamma radiation are immediately submitted to a weak electric field, cell death increases more than an order of magnitude compared to the effect of radiation alone. This finding suggests, although does not prove, that DNA damage sites are reached and recognized by means of long-range electric DNA-protein interaction, and that exogenous electric fields could destructively interfere with this process. As a consequence, DNA repair is avoided leading to massive cell death. Here we are proposing the use this new technique for the design and construction of novel radiotherapy facilities associated with linac generated gamma beams under controlled conditions of dose and beam intensity.

Study of Er3+ fluorescence on tellurite glasses containing Ag nanoparticles

Optical characteristics of tellurite glasses containing silver nanoparticles (NPs) and the influence on the emission spectrum of Er 3+ ions were studied. The transitions 4f ↔ 4f from erbium ions, mainly the 4I13/2 → 4I15/2 transition that involve upconversion energy process, have a strongly dependence with the chemical structure of the rare earth ion. In the present work, silver nanparticles (NPs) embedded in the host vitreous material, show a significant enhance (or quenching) on the erbium fluorescence due the long-range electromagnetic interaction between the plasmon surface energy of the Ag NPs (Localized Surface Plasmon Resonance -LSPR) and the Er3+ ions.

On the existence of ordered phases of encapsulated diamondoids into carbon nanotubes

We have investigated some diamondoids encapsulation into single walled carbon nanotubes (with diameters ranging from1.0 up to 2.2 nm) using fully atomistic molecular dynamics simulations. Diamondoids are the smallest hydrogen-terminated nanosized diamond-like molecules. Diamondois have been investigated for a large class of applications, ranging from oil industry to pharmaceuticals. Molecular ordered phases were observed for the encapsulation of adamantane, diamantane, and dihydroxy diamantanes. Chiral ordered phases, such as; double, triple, 4- and 5-stranded helices were also observed for those diamondoids. Our results also indicate that the modification of diamondoids through chemical functionalization with hydroxyl groups can lead to an enhancement of the molecular packing inside the carbon nanotubes in comparison to non-functionalized molecules. For larger diamondoids (such as, adamantane tetramers), we have not observed long-range ordering, but only a tendency of incomplete helical structural formation. © 2012 Materials Research Society.

Correlation between photoluminescence and structural defects in Ca 1+x Cu 3 - X Ti 4 O 12 systems

Ca1+xCu3-xTi4O12 powders were synthesized by a conventional solid-state reaction. X-ray diffraction (XRD) was performed to verify the formation of cubic CaCu3Ti4O 12 (CCTO) and orthorhombic CaTiO3 (CTO) phases at long range. Rietveld refinements indicate that excess Ca atoms added to the Ca 1-xCu3-xTi4O12 (x = 1.0) composition segregated in a CaTiO3 secondary phase suggesting that solubility limit of Ca atoms in the CaCu3Ti4O12 lattice was reached for this system. The FE-SEM images show that the Ca 1+xCu3-xTi4O12 (0 < x < 3) powders are composed of several agglomerated particles with irregular morphology. X-ray absorption near-edge structure spectroscopy (XANES) spectra indicated [TiO5Vo z]-[TiO6] complex clusters in the CaCu3Ti4O12 structure which can be associated with oxygen vacancies (Vo z = V o x, Vo •, and Vo ••) whereas in the CaTiO3 powder, this analysis indicated [TiO6]-[TiO6] complex clusters in the structure. Ultraviolet-visible (UV-vis) spectra and photoluminescence (PL) measurements for the analyzed systems revealed structural defects such as oxygen vacancies, distortions, and/or strains in CaCu3Ti4O12 and CaTiO3 lattices, respectively. © 2012 The American Ceramic Society.

D̄N interaction in a color-confining chiral quark model

We investigate the low-energy elastic D̄N interaction using a quark model that confines color and realizes dynamical chiral symmetry breaking. The model is defined by a microscopic Hamiltonian inspired in the QCD Hamiltonian in Coulomb gauge. Constituent quark masses are obtained by solving a gap equation, and baryon and meson bound-state wave functions are obtained using a variational method. We derive a low-energy meson-nucleon potential from a quark-interchange mechanism whose ingredients are the quark-quark and quark-antiquark interactions and baryon and meson wave functions, all derived from the same microscopic Hamiltonian. The model is supplemented with (σ, ρ, ω, a0) single-meson exchanges to describe the long-range part of the interaction. Cross sections and phase shifts are obtained by iterating the quark-interchange plus meson-exchange potentials in a Lippmann-Schwinger equation. Once coupling constants of long-range scalar σ and a0 meson exchanges are adjusted to describe experimental phase shifts of the K+N and K0N reactions, predictions for cross sections and s-wave phase shifts for the D̄0N and D-N reactions are obtained without introducing new parameters. © 2013 American Physical Society.

Influence of the network modifier on the characteristics of MSnO 3 (M=Sr and Ca) thin films synthesized by chemical solution deposition

CaSnO3 and SrSnO3 alkaline earth stannate thin films were prepared by chemical solution deposition using the polymeric precursor method on various single crystal substrates (R- and C-sapphire and 100-SrTiO3) at different temperatures. The films were characterized by X-ray diffraction (θ-2θ, ω- and φ-scans), field emission scanning electron microscopy, atomic force microscopy, micro-Raman spectroscopy and photoluminescence. Epitaxial SrSnO3 and CaSnO 3 thin films were obtained on SrTiO3 with a high crystalline quality. The long-range symmetry promoted a short-range disorder which led to photoluminescence in the epitaxial films. In contrast, the films deposited on sapphire exhibited a random polycrystalline growth with no meaningful emission regardless of the substrate orientation. The network modifier (Ca or Sr) and the substrate (sapphire or SrTiO3) influenced the crystallization process and/or the microstructure. Higher is the tilts of the SnO6 octahedra, as in CaSnO3, higher is the crystallization temperature, which changed also the nucleation/grain growth process. © 2012 Elsevier Inc. All rights reserved.

Stability of trapped degenerate dipolar Bose and Fermi gases

Trapped degenerate dipolar Bose and Fermi gases of the cylindrical symmetry with the polarization vector along the symmetry axis are only stable for the strength of dipolar interaction below a critical value. In the case of bosons, the stability of such a dipolar Bose-Einstein condensate (BEC) is investigated for different strengths of contact and dipolar interactions using a variational approximation and a numerical solution of a mean-field model. In the disc shape, with the polarization vector perpendicular to the plane of the disc, the atoms experience an overall dipolar repulsion and this fact should contribute to the stability. However, a complete numerical solution of the dynamics leads to the collapse of a strongly disc-shaped dipolar BEC due to the long-range anisotropic dipolar interaction. In the case of fermions, the stability of a trapped single-component degenerate dipolar Fermi gas is studied including the Hartree-Fock exchange and Brueckner-Goldstone correlation energies in the local-density approximation valid for a large number of atoms. Estimates for the maximum allowed number of polar Bose and Fermi molecules in the BEC and degenerate Fermi gas are given. © 2013 IOP Publishing Ltd.

Local order of Pb1-xLaxZr0.40Ti 0.60O3 ferroelectric ceramic materials probed by X-ray absorption and Raman spectroscopies

This paper reports on the structural characterization of Pb 1-xLaxZr0.40Ti0.60O3 (PLZT) ferroelectric ceramic compositions prepared by the conventional solid state reaction method. X-ray absorption spectroscopy (XAS) and Raman spectroscopy were used to probe the local structure of PLZT samples that exhibits a normal and relaxor ferroelectric behavior. From the Zr K-edge and Pb LIII-edge EXAFS spectra, a considerable dissymmetry of Zr and Pb sites was observed in all samples, including those showing a long-range order cubic symmetry and a relaxor behavior. The Raman spectroscopy results confirmed the existence of a local disorder in all PLZT samples through the observation of Raman active vibrational modes. The variation in the intensity of the E(TO 3) mode in the PLZT relaxor samples indicates that the process of correlation between nanodomains stabilizes at temperatures lower than T m. © 2013 Elsevier B.V. All rights reserved.

A significação na epistemologia genética: contribuições para uma teoria do conhecimento

Pós-graduação em Filosofia - FFC

Limite de acoplamento forte da QCD e a interação méson-méson

Pós-graduação em Física - IFT

Simulação computacional do enovelamento de proteínas utilizando o Modelo HP

Pós-graduação em Ciência e Tecnologia de Materiais - FC