Preconcentration and determination of metal ions from fuel ethanol with a new 2,2'-dipyridylamine bonded silica

A silica surface chemically modified with [3-(2,2'-dipyridylamine) propyl] groups was prepared, characterized, and evaluated for its metal ion preconcentration in fuel ethanol. To our knowledge, we are the first authors who have reported the present modification on silica gel surface. The material was characterized using infrared spectra, scanning electronic microscopy, and 13C and 29Si solid-state NMR spectra. Batch and column experiments were conducted to investigate for metal ion removal from fuel ethanol. The results showed that the Langmuir model describes the sorption equilibrium data of the metal ions in a satisfactory way. From the Langmuir isotherms, the following maximum adsorption capacities (in mmolg -1) were determined: 1.81 for Fe(III), 1.75 for Cr(III), 1.30 for Cu(II), 1.25 for Co(II), 1.15 for Pb(II), 0.95 for Ni(II), and 0.87 for Zn(II). Thermodynamic functions, the change of free energy (ΔG), enthalpy (ΔH), and entropy (ΔS) showed that the adsorption of metal ions onto Si-Pr-DPA was feasible, spontaneous, and endothermic. The sorption-desorption of the metal ions made possible the development of a preconcentration and quantification method of metal ions in fuel ethanol. © 2012 Elsevier Inc.

Nucleation of superconductivity in a thin disk with a ring-like defect

We report on the influence of a circular defect on the vortex configuration in a mesoscopic superconducting sample. Effects associated with the pinning force of the circular defect on the configuration and on the vortex entry fields are studied for a very thin disk. We calculate the magnetization loop, vorticity, free energy and superconducting electrons for the disk in presence of an external magnetic field applied perpendicular to the disk plane. The magnetization curves are hysteretic, with paramagnetic response in part of the downward branch, also, in this part we found a vortex-anti-vortex state. © 2013 World Scientific Publishing Company.

In vitro adhesion of Candida glabrata to denture base acrylic resin modified by glow-discharge plasma treatment

This study evaluated the potential of plasma treatments to modify the surface chemistry and hydrophobicity of a denture base acrylic resin to reduce the Candida glabrata adhesion. Specimens (n=54) with smooth surfaces were made and divided into three groups (n=18): control - non-treated; experimental groups - submitted to plasma treatment (Ar/50W; AAt/130W). The effects of these treatments on chemical composition and surface topography of the acrylic resin were evaluated. Surface free energy measurements (SFE) were performed after the treatments and after 48h of immersion in water. For each group, half (n=9) of the specimens were preconditionated with saliva before the adhesion assay. The number of adhered C. glabrata was evaluated by cell counting after crystal violet staining. The Ar/50W and AAt/130W treatments altered the chemistry composition, hydrophobicity and topography of acrylic surface. The Ar/50W group showed significantly lower C. glabrata adherence than the control group, in the absence of saliva. After preconditioning with saliva, C. glabrata adherence in experimental and control groups did not differ significantly. There were significant changes in the SFE after immersion in water. The results demonstrated that Ar/50W treated surfaces have potential for reducing C. glabrata adhesion to denture base resins and deserve further investigation, especially to tailor the parameters to prolong the increased wettability. © 2012 Blackwell Verlag GmbH.

Identifying financial crises in real time

Following the thermodynamic formulation of a multifractal measure that was shown to enable the detection of large fluctuations at an early stage, here we propose a new index which permits us to distinguish events like financial crises in real time. We calculate the partition function from which we can obtain thermodynamic quantities analogous to the free energy and specific heat. The index is defined as the normalized energy variation and it can be used to study the behavior of stochastic time series, such as financial market daily data. Famous financial market crashes-Black Thursday (1929), Black Monday (1987) and the subprime crisis (2008)-are identified with clear and robust results. The method is also applied to the market fluctuations of 2011. From these results it appears as if the apparent crisis of 2011 is of a different nature to the other three. We also show that the analysis has forecasting capabilities. © 2012 Elsevier B.V. All rights reserved.

Non-conventional vortex configurations in a mesoscopic flat disk

The influence of superficial defects on the vortex configurations of a thin superconducting disk is investigated within the time dependent Ginzburg-Landau formalism. The free energy, magnetization, vorticity, and the Cooper pair density are calculated for both metastable and stable vortex configurations and different number of defects on its surface in the presence of an external magnetic field applied perpendicular to the disk area. We show that the competition between the confinement geometry and the geometric position of the defects leads to non-conventional vortex configurations which are not compatible with the symmetry of the sample geometry.

Adsorption of polyelectrolytes onto oppositely charged cylindrical macroions

In this work we investigate the adsorption of polyelectrolyte chains onto uniformly charged cylindrical macroions by means of the Metropolis Monte Carlo simulations and weighted histogram analysis method. Adopting a simplified model for macromolecules and treating the electrolytic solution in the Debye-Hückel level, conformational properties of the adsorbed chain, such as the radius of gyration and the thickness of the adsorbed layer, are provided as a function of ionic strength and macroion charge density. By analysis of the free energy profile as a function of the radius of gyration it was possible to identify first-order-like transitions between adsorbed and desorbed states and obtain a macroion charge density dependence of the critical ionic strength in good agreement with experiments. © 2013 AIP Publishing LLC.

Solid-phase extraction of metal ions from fuel ethanol with a nanostructured adsorbent

This work describes the synthesis and characterization of a new octakis[3-(2,2'-dipyridylamine)propyl]octasilsesquioxane (T8-Pr-DPA), and a study of the metal ion preconcentration in fuel ethanol. Batch and column experiments were conducted to investigate for the removal of heavy metal ions from fuel ethanol. The results showed that the Langmuir allowed to describe the sorption equilibrium data of the metal ions on T8-Pr-DPA in a satisfactory way. The following maximum adsorption capacities (in mmolg-1) were determined: 3.62 for Fe (III), 3.32 for Cr (III), 2.15 for Cu (II), 1.80 for Co (II), 1.62 for Pb (II), 1.32 for Ni (II) and 0.88 for Zn (II). The thermodynamic parameters for the adsorption process such as free energy of adsorption (δG), enthalpy of adsorption (δH) and entropy of adsorption (δS) were calculated. Thermodynamic parameters showed that the system has favorable enthalpic, Gibbs free energy, and entropic values. The sorption-desorption of the metal ions has made possible the development of a preconcentration and determination method of metal ions at trace level in fuel ethanol. The method of quantitative analysis for Fe, Cu, Ni and Zn in fuel ethanol by Flame AAS was validated. Several parameters have been taken into account and evaluated for the validation of method, namely: linearity, limit of detection, limit of quantification, and the relative standard deviation and accuracy. The accuracy of the method was assessed by testing analyte recovery in the fuel ethanol samples. © 2013 Elsevier B.V.

Linear arrangement of metallic and superconducting defects in a thin superconducting sample

The vortex matter in a superconducting disk with a linear configuration of metallic and superconducting defects is studied. Effects associated to the pinning (anti-pinning) force of the metallic (superconducting) defect on the vortex configuration and on the thermodynamic critical fields are analyzed in the framework of the Ginzburg Landau theory. We calculate the loop of the magnetization, vorticity and free energy curves as a function of the magnetic field for a thin disk. Due to vortex-defect attraction for a metallic defect (repulsion for a superconducting defect), the vortices always (never) are found to be sitting on the defect position. © 2013.

Analyzing the effect of homogeneous frustration in protein folding

The energy landscape theory has been an invaluable theoretical framework in the understanding of biological processes such as protein folding, oligomerization, and functional transitions. According to the theory, the energy landscape of protein folding is funneled toward the native state, a conformational state that is consistent with the principle of minimal frustration. It has been accepted that real proteins are selected through natural evolution, satisfying the minimum frustration criterion. However, there is evidence that a low degree of frustration accelerates folding. We examined the interplay between topological and energetic protein frustration. We employed a Cα structure-based model for simulations with a controlled nonspecific energetic frustration added to the potential energy function. Thermodynamics and kinetics of a group of 19 proteins are completely characterized as a function of increasing level of energetic frustration. We observed two well-separated groups of proteins: one group where a little frustration enhances folding rates to an optimal value and another where any energetic frustration slows down folding. Protein energetic frustration regimes and their mechanisms are explained by the role of non-native contact interactions in different folding scenarios. These findings strongly correlate with the protein free-energy folding barrier and the absolute contact order parameters. These computational results are corroborated by principal component analysis and partial least square techniques. One simple theoretical model is proposed as a useful tool for experimentalists to predict the limits of improvements in real proteins. © 2013 Wiley Periodicals, Inc.

The application of a surface response methodology in the solar/UV-induced degradation of dairy wastewater using immobilized ZnO as a semiconductor

An Advanced Oxidation Process (AOPs) was carried out in this study with the use of immobilized ZnO and solar/UV as an energy source to degrade dairy wastewater. The semibatch reactor system consisted of metal plate of 800 × 250 mm and a glass tank. The reaction time was of 3 h for 3 L of dairy wastewater. Experiments were performed based on a surface response methodology in order to optimize the photocatalytic process. Degradation was measured in percentage terms by total organic carbon (TOC). The entry variables were ZnO coating thickness and pH, using three levels of each variable. The optimized results showed a TOC degradation of 31.7%. Optimal parameters were metal-plate coating of 100 m of ZnO and pH of 8.0. Since solar/UV is a constant and free energy source in most tropical countries, this process tends to suggest an interesting contribution in dairy wastewater treatment, especially as a pretreatment and the optimal conditions to guarantee a better efficiency of the process. © 2013 Gisella R. Lamas Samanamud et al.

Estudo do efeito da adição de frustração no enovelamento de proteínas utilizando modelos baseados em estruturas

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Análise conformacional dos petídeos protonectina e protonectina (1-6), isolados e em associação, em mistura TFE-água

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Regimes de frustração ótima em enovelamento de proteínas com modelos baseado em estrutura

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

Aplicação do eletrocapilaridade na manipulação de microgotas

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

Análise comparativa da viabilidade econômica da utilização de coletores solar para aquecimento de água

Pós-graduação em Agronomia (Energia na Agricultura) - FCA