Geochemical characterization of heavy metal contaminated area using multivariate factorial kriging

This paper describes a geostatistical method, known as factorial kriging analysis, which is well suited for analyzing multivariate spatial information. The method involves multivariate variogram modeling, principal component analysis, and cokriging. It uses several separate correlation structures, each corresponding to a specific spatial scale, and yields a set of regionalized factors summarizing the main features of the data for each spatial scale. This method is applied to an area of high manganese-ore mining activity in Amapa State, North Brazil. Two scales of spatial variation (0.33 and 2.0 km) are identified and interpreted. The results indicate that, for the short-range structure, manganese, arsenic, iron, and cadmium are associated with human activities due to the mining work, while for the long-range structure, the high aluminum, selenium, copper, and lead concentrations, seem to be related to the natural environment. At each scale, the correlation structure is analyzed, and regionalized factors are estimated by cokriging and then mapped.

Relationship between structural features and in vitro release of doxorubicin from biocompatible anionic microemulsion

In this work structural features of anionic microemulsions, containing the pharmaceutical biocompatible components soya phosphatidylcholine (SPC), eumulgin HRE 40 (EU) and sodium oleate (SO) as surfactant, cholesterol (CHO) as oil phase and aqueous buffer were studied. Microemulsions were formulated with and without the antitumor drug doxorubicin (DOX). The various microstructures characterized in the pseudo-temary phase diagram were analyzed by polarized light microscopy, small-angle X-ray scattering (SAXS) and X-ray diffraction (XRD) as well as by their ability to incorporate and release DOX. The experimental results demonstrated a correlation between the composition, the structural features and drug delivery. It was found that at higher cholesterol contents, the crystallization of CHO polymorph phases changed the mobility of DOX molecules. Droplets were formed with short-range spatial correlation from a microemulsion (ME) with a low surfactant:oil ratio. More ordered structures with lamellar arrangements formed by the increasing of the CHO proportions in the formulation may be due to CHO crystallization. The in vitro release of DOX showed that the presence of a high content of crystalline CHO prolongs the release of DOX from ME. The retention of DOX in the internal oil phase of the ME may modulate the drug release for a prolonged time. These results clearly demonstrate the potential of ME as a drug-delivery system. (c) 2007 Elsevier B.V. All rights reserved.

Structural changes of biocompatible neutral microemulsions stabilized by mixed surfactant containing soya phosphatidylcholine and their relationship with doxorubicin release

Depending on the composition, the mixture of surfactant, oil and water, may form supramolecular aggregates with different structures which can significantly influence the drug release. In this work several microemulsion (ME) systems containing soya phosphatidylcholine (SPC) and eumulgin HRE40 (TM) (EU) as surfactant, cholesterol (O) as oil phase, and ultra-pure water as an aqueous phase were studied. MEs with and without the antitumoral drug doxorubicin (DOX) were prepared. The microstructures of the systems were characterized by photon correlation spectroscopy, rheological behavior, polarized light microscopy, small-angle X-ray scattering (SAXS) and X-ray diffraction (XRD). The results reveal that the diameter of the oil droplets was dependent on the surfactant (S) amount added to formulations. The apparent viscosity was dependent on the O/S ratio. High O/S ratio leads to the crystallization of cholesterol polymorphs phases which restricts the mobility of the DOX molecules into the ME structure. Droplets with short-range spatial correlation were formed from the ME with the low O/S ratio. The increase of the cholesterol fraction in the O/S mixture leads to the formation of ordered structures with lamellar arrangements. These different structural organizations directly influenced the drug release profiles. The in vitro release assay showed that the increase of the O/S ratio in the formulations inhibited the constant rate of DOX release. Since the DOX release ratio was directly dependent on the ratio of O/S following an exponential decay profile, this feature can be used to control the DOX release from the ME formulations. (C) 2008 Elsevier B.V. All rights reserved.

Hadronic physics in peripheral heavy Ion collisions

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

Topotatic-like phase transformation of amorphous lead titanate to cubic lead titanate

The crystallization process of lead titanate (PT) prepared using the polymeric precursor method was investigated using X-ray diffractometry, Raman spectroscopy, electron microscopy, and X-ray absorption spectroscopy techniques. The results showed that amorphous PT was formed by an O-Ti-O structure composed of fivefold and sixfold oxygen-coordinated titanium. The local structure of the amorphous PT phase was similar to that of the cubic PT phase, i.e., similar coordination number and similar bond lengths, leading to a topotactic-like transformation during the phase transformation from amorphous to cubic perovskite PT. Because of the low crystallization temperature, every transformation observed during the crystallization process was associated with a short-range rearrangement process.

Mechanisms behind blue, green, and red photoluminescence emissions in CaWO4 and CaMoO4 powders

A combined experimental and theoretical study was conducted to analyze the photoluminescence (PL) properties of ordered and disordered CaWO4 (CW) and CaMoO4 (CM) powders. Two mechanisms were found to be responsible for photoluminescence emission in CW and CM powders. The first one, in the disordered powders, was caused by oxygen complex vacancies [MO3 center dot V-O(x)], [MO3 center dot V-O(center dot)] and [MO3 center dot V-O(center dot center dot)], where M=W or Mo, which leads to additional levels in the band gap. The second mechanism, in ordered powders, was caused by an intrinsic slight distortion of the [WO4] or [MoO4] tetrahedral in the short range. (c) 2007 American Institute of Physics.

Structural studies on TeO2-PbO glasses

Binary tellurite-based glasses in the TeO2-PbO system were prepared and its structure investigated by means of Raman Scattering and X-ray Absorption Spectroscopy. Both spectroscopies indicate strong modifications of the first coordination shell around tellurium atoms when the PbO content increases revealing for lead its glassy network modifier role. Also, Pb L-3-edge EXAFS measurements reveal this structural role played by lead atoms, but the presence of a medium range order contribution indicates that lead also participates to the glassy network formation. (C) 2001 Elsevier B.V. Ltd. All rights reserved.

Chromophore relaxation in a side-chain methacrylate copolymer functionalized with 4-[N-ethyl-N-(2-hydroxyethyl)]amino-2 '-chloro-4 '-nitroazobenzene

A side-chain methacrylate copolymer functionalized with the nonlinear optical chromophore 4-[N-ethyl-N-(2-hydroxyethyl)]amino-2'-chloro-4'-nitroazobenzene, disperse red-13, was prepared and characterized. The chromophore relaxation was investigated measuring the decay of the electrooptic coefficient r(13) and the complex dielectric constant at different temperatures. Results obtained below and above T-g were analyzed using the Kohlrausch-Williams-Watts(KWW) equation, through the study of the temperature dependence of the KWW parameters. Above T-g the relaxation time experimental data were fitted to the Williams-Landel-Ferry (WLF) equation and its parameters determined. Chromophore relaxation leading to the decrease of electrooptic properties was found associated with a primary alpha relaxation. The obtained WLF equation parameters were introduced into the Adam-Gibbs-Tool-Narayanaswamy-Moynihan equation, and the overall relaxation time temperature dependence was successfully obtained in terms of the fictive temperature, accounting for the sample thermal treatment and allowing optimized thermal treatment to be found. The copolymer KWW stretching parameter at the glass transition temperature lies close to the limit value for short-range interactions, i.e., 0.6, suggesting that the chromophore group is participating in primary a relaxation.

MODEL INDEPENDENCE OF SCATTERING OF 3 IDENTICAL BOSONS IN 2 DIMENSIONS

Within the framework of scattering integral equations in momentum space, we present numerical results of scattering of three identical bosons at low energies in two dimensions for short-range separable potentials. An analysis of the present numerical results reveals the three-particle scattering observables to be independent of potential shape provided the low-energy two-particle binding energy and scattering length are held fixed throughout the investigation. We think that the present conclusion of model independence will be valid for any potential, local or nonlocal, whose range is much smaller than the size of the two-particle bound state.

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

In this paper we report an experimental and theoretical study based on a periodic density functional investigation into selected compositions of Pb1-xCaxTiO3 (x=0.0, 0.25, 0.50, and 0.75). Based on our findings, we propose that the pseudocubic structure of these perovskites presents a long-range tendency for cubic symmetry, while the short-range displacements bring the solid solution to a tetragonal symmetry. The results are discussed in terms of x-ray diffraction, structural optimized parameters, Raman spectroscopy, band structure, density of states, Mulliken charge, and overlap population.

PHONON-SPECTRA OF RANDOMLY DISORDERED SYSTEM

We study the phonon density of states of a three dimensional disordered mixed crystal NaCl(x)Br1-x. The phonon structure is obtained by using a cluster method based on a continued fraction expansion of the Green function. The proposed dynamic model includes only short range interactions (first and second neighbors) but supports some qualitative features of the constituents binary alloys.

A potential approach for the gluonium spectrum

A potential previously utilized in the quark sector is extended to the gluon one. The short-range gluon-gluon interaction potential using QCD is calculated. To simulate the confinement a confining potential and an effective mass for the gluon are introduced. © 1989 Società Italiana di Fisica.

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.

Universal aspects of Efimov states and light halo nuclei

The parametric region in the plane defined by the ratios of the energies of the subsystems and the three-body ground state, in which Efimov states can exist, is determined. We use a renormalizable model that guarantees the general validity of our results in the context of short-range interactions. The experimental data for one-and two-neutron separation energies, implies that among the halo nuclei candidates, only 20C has a possible Efimov state, with an estimated energy less than 14 KeV below the scattering threshold.

Virtual states of light non-Borromean halo nuclei

It is shown that three-body non-Borromean halo nuclei like 12Be, 18C, 20C, considered as neutron-neutron-core systems, have p-wave virtual states with energy of about 1.7 times the corresponding neutron-core binding energy. We use a renormalizable model that guarantees the general validity of our results in the context of short range interactions.