Removal of metal ions from aqueous solution by chelating polymeric hydrogel

Polysaccharide natural seed coat from the tree Magonia pubescens, in the form of hydrogel was used to remove metals in aqueous solution. Swelling tests indicate that seed coat presents hydrogel behavior, with maximum water absorption of 292 g water/g. Adsorption experiments performed using Na(+), Mg(2+), K(+), Ca(2+), Cr(3+), Fe(3+) and Zn(2+) demonstrated that the polysaccharide structure has a high capacity to extract these ions from the aqueous solution. Scanning electron microscopy revealed significant morphological changes of the material before and after water contact. Differential scanning calorimetry measurements indicate a signal shift of the water evaporation temperature in the material with adsorbed zinc. X-ray photoelectron spectroscopy analysis combined with theoretical studies by the density functional theory and on Hartree-Fock (HF) level evidence that the metallic ions were adsorbed through coordination with hydroxyl groups of polysaccharide. In the case of Zn(2+) the lowest HF energy was observed for the tetracoordination mode, where Zn(2+) is coordinated by two hydroxyl groups and two water molecules.

Ligand-Assisted Preparation of Palladium Supported Nanoparticles: a Step toward Size Control

Supported nanoparticles (SNPs) with narrow size distribution were prepared by H(2) reduction of Pd(2+) previously bound, to ligand-modified silica surfaces. Interestingly, the size of the Pd SNPs was tuned by the ligand grafted on the support surface. Amino- and ethylenediamino-functionalized supports formed Pd(0) SNPs of ca. 6 and 1 nm, respectively. The catalytic properties of both Pd(0) SNPs were investigated.

A neural networks study of quinone compounds with trypanocidal activity

This work investigates neural network models for predicting the trypanocidal activity of 28 quinone compounds. Artificial neural networks (ANN), such as multilayer perceptrons (MLP) and Kohonen models, were employed with the aim of modeling the nonlinear relationship between quantum and molecular descriptors and trypanocidal activity. The calculated descriptors and the principal components were used as input to train neural network models to verify the behavior of the nets. The best model for both network models (MLP and Kohonen) was obtained with four descriptors as input. The descriptors were T(5) (torsion angle), QTS1 (sum of absolute values of the atomic charges), VOLS2 (volume of the substituent at region B) and HOMO-1 (energy of the molecular orbital below HOMO). These descriptors provide information on the kind of interaction that occurs between the compounds and the biological receptor. Both neural network models used here can predict the trypanocidal activity of the quinone compounds with good agreement, with low errors in the testing set and a high correctness rate. Thanks to the nonlinear model obtained from the neural network models, we can conclude that electronic and structural properties are important factors in the interaction between quinone compounds that exhibit trypanocidal activity and their biological receptors. The final ANN models should be useful in the design of novel trypanocidal quinones having improved potency.

Synthesis, Structural Characterization, and Biological Evaluation of Oxorhenium(V) Complexes with a Novel Type of Thiosemicarbazones Derived from N-[N `,N `-Dialkylamino(thiocarbonyl)]benzimidoyl Chlorides

Reactions of N-[N`,N`-diethylamino(thiocarbonyl)]benzimidoyl chloride with 4,4-dialkylthiosemicarbazides give a novel class of thiosemicarbazides/thiosemicarbazones, H(2)L, which causes a remarkable reduction of cell growth in in vitro experiments. These strong antiproliferative effects are also observed for oxorhenium(V) complexes of the general composition [ReOCl(L)], which are formed by reactions of the potentially tridentate ligands with (NBu(4))[ReOCl(4)]. A systematic substitution of the alkyl groups in the thiosemicarbazone building blocks of the ligands do not significantly influence the biological activity of the metal complexes, while the replacement of the chloro ligand by a PPh(3) ligand (by the replacement of the oxo unit by a nitrido ligand) completely terminated the cytotoxicity of the metal complexes.

Oxotechnetium(V) Complexes with a Novel Class of Tridentate Thiosemicarbazide Ligands

A novel tridentate thiosemicarbazide-type ligand class with an SNS donor set, H(2)L(1), was prepared by reactions of N-[N`,N`-dialkylamino(thiocarbonyl)]benzimidoyl chlorides with thiosemicarbazides. H(2)L(1) ligands readily react with (NBu(4))[TcOCl(4)] in MeOH under the formation of red oxotechnetium(V) complexes of composition [TcOCl(L(1))]. The monomeric, five-coordinate compounds are air-stable and bind (L(1))(2-) tridentate in the equatorial coordination sphere. The compounds represent the first examples of oxotechnetium(V) complexes with NS chelate-bonded thiosemicarbazones.

Docking and molecular dynamics simulation of quinone compounds with trypanocidal activity

In this work, two different docking programs were used, AutoDock and FlexX, which use different types of scoring functions and searching methods. The docking poses of all quinone compounds studied stayed in the same region in the trypanothione reductase. This region is a hydrophobic pocket near to Phe396, Pro398 and Leu399 amino acid residues. The compounds studied displays a higher affinity in trypanothione reductase (TR) than glutathione reductase (GR), since only two out of 28 quinone compounds presented more favorable docking energy in the site of human enzyme. The interaction of quinone compounds with the TR enzyme is in agreement with other studies, which showed different binding sites from the ones formed by cysteines 52 and 58. To verify the results obtained by docking, we carried out a molecular dynamics simulation with the compounds that presented the highest and lowest docking energies. The results showed that the root mean square deviation (RMSD) between the initial and final pose were very small. In addition, the hydrogen bond pattern was conserved along the simulation. In the parasite enzyme, the amino acid residues Leu399, Met400 and Lys402 are replaced in the human enzyme by Met406, Tyr407 and Ala409, respectively. In view of the fact that Leu399 is an amino acid of the Z site, this difference could be explored to design selective inhibitors of TR.

Skolan och det mångkulturella mötet : Några gymnasielärares beskrivning av mötet med muslimska elever och arbetet med skolans värdegrund

Uppsatsen berör problemområdet med mångkulturella möten i gymnasieskolan. Det är ett lärarperspektiv där några yrkesverksamma lärare beskriver sin egen erfarenhet av mötet med muslimska elever. De positiva erfarenheterna dominerar lärarnas synsätt och beskrivning av de mångkulturella mötena. Men beskriver även islam i Sverige idag och hur religionen har anpassat sig till nya förhållanden de senaste 50 åren. Sverige har utvecklats från en enhetskultur till ett mångkulturellt samhälle vilket även påverkat skolan i samma utsträckning. Den litteratur som använts i uppsatsen är religionshistorisk, religionssociologisk och pedagogisk.

Estudo do calor específico de compostos Heusler paramagnéticos, da série do níquel Ni 2 Tal, onde T=Ti, Zr, Hf, V, Nb e Ta

Neste trabalho apresentamos os resultados experimentais da medida do calor específico dos compostos Heusler da série Ni2TA1, onde T =Ti, Zr,Hf,V,Nb, Ta. Estas medidas foram feitas utilizando-se um calorímetro adiabático que atua na faixa de 1,84 K a 10,3 K e visaram o estudo da estrutura elêtrônica dos compostos em termos da densidade de estados eletrônicos à nível de Fermi, bem como da dinâmica da rede cristalina, com o uso dos modelos de Debye e de Einstein para o calor específico. Apresentamos, também, uma descrição do calorímetro, seu funcionamento e as alterações ocorridas em função deste trabalho.

Diagnóstico e análise de sistemas de produção no município de Guaíba/RS : uma abordagem agroeconômica

O estudo teve como objetivo diagnosticar e analisar os diferentes sistemas de produção implementados pelos produtores rurais do município de Guaíba/RS, de modo a verificar os potenciais de desenvolvimento rural local que são capazes de orientar ações municipais e regionais. A metodologia empregada utilizou a abordagem sistêmica, a qual permitiu reconstituir a evolução dos sistemas agrários do município e identificar a situação atual dos produtores locais. As informações foram obtidas através de pesquisas dos dados secundários do município e de entrevistas com os produtores em 64 estabelecimentos rurais. Os resultados permitiram evidenciar treze sistemas de produção atualmente implementados pelos produtores rurais no município de Guaíba/RS, sendo oito identificados com a agricultura familiar e cinco com a patronal, em grande parte relacionados com as atividades de cultivo do arroz, da batata-doce, da olericultura e da fruticultura, e nas atividades de criação, como a pecuária de corte. Dentre as conclusões do trabalho, uma circunstância em particular chamou a atenção: a influência marcante que os processos de industrialização e urbanização existentes na Região Metropolitana de Porto Alegre vêm exercendo sobre o desenvolvimento das atividades agropecuárias no município de Guaíba, de modo a ocasionar uma nova dinâmica agrária, fortemente marcada pela diversificação das atividades produtivas. A pesquisa evidenciou ainda que as diferenciações entre os sistemas de produção estão relacionadas às trajetórias de acumulação, basicamente de capital, por parte dos produtores rurais. A dinâmica existente na evolução agrária do município desencadeou no meio rural de Guaíba, transformações socioeconômicas, culturais e ambientais que repercutiram na formação de duas regiões distintas, a das terras baixas e a das terras altas. Estas duas regiões foram determinantes no surgimento das categorias sociais atualmente encontradas, na caracterização dos pontos de estrangulamento, potencialidades e perspectivas de desenvolvimento dos produtores.

Essays on credit and bankruptcy law

This thesis is composed of four papers referent to the subject of Credit and Bankruptcy Law. In each essay - that corresponds to one chapter - we aim at analyzing the ináuence of default on credit market, considering di§erent legal situations.

Botão "Verificar"

Ilustração componente do jogo “Quimolécula (http://www.loa.sead.ufscar.br/quimolecula.html)” desenvolvido pela equipe do Laboratório de Objetos de Aprendizagem da Universidade Federal de São Carlos (LOA/UFSCar).

Bloco Z

Ilustração componente do jogo “Ortotetris (http://www.loa.sead.ufscar.br/ortotetris.html)” desenvolvido pela equipe do Laboratório de Objetos de Aprendizagem da Universidade Federal de São Carlos (LOA/UFSCar).

Estratégias internacionais da fruticultura do RN: o caso finobrasa processo e evolução

The present inquiry has as main objective to understand the process of formation of the international strategies of the exporting companies of fruits of the RN through the theory of the resource dependence. Aiming at to clarify as the companies they can carry through the process of internationalization through this theory had been study the behavior and economic theories of the process of internationalization of companies. Amongst the economic theories they are distinguished the eclectic paradigm of Dunning (1958), Vernon (1669) through the theory of the cycle of the product and Bucley and Casson (1979) with the theory of the international operations. In the mannering boarding they had been investigated the school of Upsala through Johanson and Valnhe (1977) with the concept of the increasing of the markets and in the distance psychic starts and the interaction of the purchaser-salesman of Hallen and Wiedersheim-Paul (1979). In this perspective it observes main the occured changes in the organization in function of this process, following the rules observed by the gradual ingression in the international market, having as base ways of entrances in the external market used by these companies, in view of the frist phase that the company presents of businesses. Ahead of you analyze of these theories the study searches to analyze the convergence of the concepts proclaimed for the theory of the dependence of resources (PFEFFER; SALANCIK, 1978). and strategies of internationalization of the companies. The research is characterized as qualitative case study which adopts and exploratory and analytical type, retrospective matrix. The adopted strategy is of case study and the unit of analysis consisting of the Finobrasa, pertaining company to the Vicunha Group. The main method of collection of data was halfstructuralized interview allied the documentary research that together had presented an empirical perspective of the internationalization process. The analysis and quarrel of the results understand the description and the interpretation of the one of the information through the technique of analyzes of content. Initially the historical of the exportation of fruits of the Rio Grande do Norte with the focus in the region Açu/Mossoró is presented and after that the information of the Finobrasa are presented as base of the study. The main events are identified that had constituted the phases of the strategical model of the company. It was observed that the dimensions most excellent amongst those proclaimed by the School of Uppsala had been the learning, staffs and the step-starts is sufficiently gifts in the reality of the company, as well as the aspects of strategical alliances since the consolidated relationship of the Vicunha Group create a more solid trajectory in the international market allied the conditions created windows of marked . One understands, therefore, that the investigated process still has base the theoretical theories of the internationalization strategies corroborating for the theoretical convergence of the rules proclaimed for the theory of the dependence of resources.

Sclerocorneal limbal stem cell autograft transplantation in dogs

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)