Population dynamics, sex ratio and size at sex change in a protandric simultaneous hermaphrodite, the spiny shrimp Exhippolysmata oplophoroides

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

The water factor in the protein-folding problem

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

Understanding the origin of photoluminescence in disordered Ca0.60Sr0.40WO4: An experimental and first-principles study

Visible photoluminescence (PL) was observed for the first time at room temperature in structurally disordered calcium strontium tungstate powder, Ca0.60Sr0.40WO4 (CSW), obtained by the polymeric precursor method. The PL behavior of CSW powders has been analyzed as a function of the disorder rate, based on experimental and theoretical studies. Quantum mechanical theory based on density functional theory at the B3LYP level has been employed to study the electronic structure of two periodic models representing both crystalline and disordered powders. Their electronic structures have been analyzed in terms of density of states, band dispersion and charge densities. The calculations indicate a break in symmetry when passing from crystalline to disordered models, creating localized electronic levels above the valence band. Moreover, a negative charge transfer process takes place from the [WO3] cluster to the [WO4] cluster. The polarization induced by the break in symmetry and the existence of localized levels favors the creation of trapped holes and electrons, originating the PL phenomenon. (c) 2007 Elsevier B.V. All rights reserved.

Removal of metal ions from aqueous solution by chelating polymeric hydrogel

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

4,5-Seco-Guaiane and a Nine-Membered Sesquiterpene Lactone from Holostylis reniformis

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

Ser professora, ser mulher: um estudo sobre concepções de gênero e sexualidade para um grupo de alunas de pedagogia

Este trabalho tem por objetivo investigar as concepções de relações de gênero de um grupo de alunas do curso de Pedagogia que já atuam na educação escolar como professoras. Para a realização desta pesquisa qualitativa, de tipologia analítico-descritiva, foi utilizada uma entrevista semiestruturada com as universitárias escolhidas. A construção e a análise do objeto têm como fundamentação teórica os estudos de Michel Foucault, Joan Scott e Guacira Lopes Louro. Constatamos que, em um processo de acomodação e resistência, as categorias mulher e professora se fundem, o que obscurece, em certa medida, a atuação da professora como profissional da educação.

O papel dos modificadores de rede na produção da fotoluminescência no CaWO4

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

Ética, preconceito e educação: características das publicações em periódicos nacionais de educação, filosofia e psicologia entre 1970 e 2003

Apresenta um estudo bibliográfico referente ao tema ética e preconceito no âmbito da educação escolar em periódicos nacionais das áreas de educação, psicologia e filosofia a partir da década de 1970 até o ano de 2003. No total, foram categorizados e analisados 570 textos. Constatamos que, especialmente, nas três últimas décadas, houve uma preocupação, por parte dos pesquisadores, com questões éticas e a problemática da diversidade e suas relações com a educação escolar. Percebemos, também, que algumas revistas científicas se destacaram por apresentar um maior número de produções científicas publicadas com o tema e no período que compreende este estudo. Além disso, a maioria dos trabalhos realizou estudos teóricos e pesquisas bibliográficas em detrimento às pesquisas empíricas. Foi elaborado um índice dos textos pesquisados que, juntamente com o material coletado, funcionará como banco de dados para pesquisadores, ligados a diversas áreas do conhecimento, que possuam interesse em estudar o tema ética e preconceito e seus diversos subtemas.

Monte Carlo and modified Tanford-Kirkwood results for macromolecular electrostatics calculations

The understanding of electrostatic interactions is an essential aspect of the complex correlation between structure and function of biological macromolecules. It is also important in protein engineering and design. Theoretical studies of such interactions are predominantly done within the framework of Debye-Huckel theory. A classical example is the Tanford-Kirkwood (TK) model. Besides other limitations, this model assumes an infinitesimally small macromolecule concentration. By comparison to Monte Carlo (MC) simulations, it is shown that TK predictions for the shifts in ion binding constants upon addition of salt become less reliable even at moderately macromolecular concentrations. A simple modification based on colloidal literature is suggested to the TK scheme. The modified TK models suggested here satisfactorily predict MC and experimental shifts in the calcium binding constant as a function of protein concentration for the calbindin D-9k mutant and calmodulin.

Design of a fuzzy Takagi-Sugeno controller to vary the joint knee angle of paraplegic patients

The papers shows, through theoretical studies and simulations, that using the description of the plant by Takagi-Sugeno (T-S), it is possible to design a nonlinear controller to control the position of the leg of a paraplegic patient. The control system was designed to change the angle of the joint knee of 60 degrees. This is the first study that describes the application of Takagi-Sugeno (T-S) models in this kind of problem.

The role of network modifiers in the creation of photoluminescence in CaTiO3

We discuss the nature of visible photoluminescence (PL) at room temperature in amorphous calcium titanate in the light of the results of recent experimental and quantum mechanical theoretical studies. Our investigation of the electronic structure involved the use of first-principle molecular calculations to simulate the variation of the electronic structure in the calcium titanate crystalline phase, which is known to have a direct band gap, and we also made an in-depth examination of amorphous calcium titanate. The results of our theoretical calculations of amorphous calcium titanate indicate that the formation of fivefold coordination in the amorphous system may introduce delocalized electronic levels in the highest occupied and the lowest unoccupied molecular orbitals. These delocalized electronic levels are related to the formation of a tail in the absorbance spectrum curve. The results indicate that amorphous calcium titanate has the conduction band near the band gap dominated by Ca states contribution. Experimental optical absorption measurements showed the presence of a tail. These results are interpreted by the nature of these exponential optical edges and tails, associated with defects promoted by the disordered structure of the amorphous material. We associate them with delocalized states in the band gap. (C) 2002 Elsevier B.V. B.V. All rights reserved.

Energy States of Phosphorous Donor in Silicon in Fields up to 18 T

The evolution of the energy states of the phosphorous donor in silicon with magnetic field has been the subject of previous experimental and theoretical studies to fields of 10 T. We now present experimental optical absorption data to 18 T in combination with theoretical data to the same field. We observe features that are not revealed in the earlier work, including additional interactions and anti-crossings between the different final states. For example, according to the theory, for the "1s -> 2p (+)" transition, there are anti-crossings at about 5, 10, 14, 16, and 18 T. In the experiments, we resolve at least the 5, 10, and 14 T anti-crossings, and our data at 16 and 18 T are consistent with the calculations.

X̄ chart with variable sample size and sampling intervals

Recent theoretical studies have shown that the X̄ chart with variable sampling intervals (VSI) and the X̄ chart with variable sample size (VSS) are quicker than the traditional X̄ chart in detecting shifts in the process. This article considers the X̄ chart with variable sample size and sampling intervals (VSSI). It is assumed that the amount of time the process remains in control has exponential distribution. The properties of the VSSI X̄ chart are obtained using Markov chains. The VSSI X̄ chart is even quicker than the VSI or VSS X̄ charts in detecting moderate shifts in the process.

Control preventivo dinamico de sistemas de energia electrica usando redespacho de generacion y corte de carga

A model for preventive control in electrical systems is presented, taking into account the dynamic aspects of the network. Among these aspects, the effects provoked by perturbations which cause oscillations in synchronous machine angles (transient stability), such as electric equipment outages and short circuits, are presented. The energy function is used to measure the stability of the system using a procedure defined as the security margin. The control actions employed are load shedding and generation reallocation. An application of the methodology to a system located in southern Brazil, which is composed of 10 synchronous machines, 45 busses, and 72 transmission lines. The results confirm the theoretical studies.

Quantum mechanical study of YTiO3 to the investigation of piezoelectricity

In previous articles we reported through theoretical studies the piezoelectric effect in BaTiO3, SmTiO3, and YFeO3. In this paper, we used the Douglas-Kroll-Hess (DKH) second-order scalar relativistic method to investigate the piezoelectricity in YTiO3. In the calculations we used the [6s4p] and [10s5p4d] Gaussian basis sets for the O (3P) and Ti (5S) atoms, respectively, from the literature in combination with the (30s21p16d)/[15s9p6d] basis set for the Y ( 3D) atom, obtained by generator coordinate Hartree-Fock (GCHF) method, and they had their quality evaluated using calculations of total energy and orbital energies (HOMO and HOMO-1) of the 2TiO+1 and 1YO+1 fragments. The dipole moment, the total energy, and the total atomic charges in YTiO3 in C s space group were calculated. When we analyze those properties we verify that it is reasonable to believe that YTiO3 does not present piezoelectric properties. Copyright © 2011 Raimundo Dirceu de Paula Ferreira et al.