Er(3+)-Based Diureasil Organic-Inorganic Hybrids

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Self-Structuring of Lamellar Bridged Silsesquioxanes with Long Side Spacers

Diurea cross-linked bridged silsesquioxanes (BSs) C(10)C(11)C(10) derived from organosilane precursors, including decylene chains as side spacers and alkylene chains with variable length as central spacers (EtO)(3)Si- (CH(2))(10)-Y(CH(2))(n)-Y-(CH(2))(10)-Si(OEt)(3) (n = 7, 9-12; Y = urea group and Et = ethyl), have been synthesized through the combination of self-directed assembly and an acid-catalyzed sol gel route involving the addition of dimethylsulfoxide (DMSO) and a large excess of water. This new family of hybrids has enabled us to conclude that the length of the side spacers plays a unique role in the structuring of alkylene-based BSs, although their morphology remains unaffected. All the samples adopt a lamellar structure. While the alkylene chains are totally disordered in the case of the C(10)C(7)C(10) sample, a variable proportion of all-trans and gauche conformers exists in the materials with longer central spacers. The highest degree of structuring occurs for n = 9. The inclusion of decylene instead of propylene chains as side spacers leads to the formation of a stronger hydrogen-bonded urea-urea array as evidenced by two dimensional correlation Fourier transform infrared spectroscopic analysis. The emission spectra and emission quantum yields of the C(10)C(n)C(10) Cm materials are similar to those reported for diurea cross-linked alkylene-based BSs incorporating propylene chains as side spacers and prepared under different experimental conditions. The emission of the C(10)C(n)C(10) hybrids is ascribed to the overlap of two distinct components that occur within the urea cross-linkages and within the siliceous nanodomains. Time-resolved photoluminescence spectroscopy has provided evidence that the average distance between the siliceous domains and the urea cross-links is similar in the C(10)C(n)C(10) BSs and in oxyethylene-based hybrid analogues incorporating propylene chains as side spacers (diureasils), an indication that the longer side chains in the former materials adopt gauche conformations. It has also allowed us to demonstrate for the first time that the emission features of the urea-related component of the emission of alkylene-based BSs depend critically on the length of the side spacers.

Polyacids self-dissociation model

This work deals with a model to interpret pH measurements of solutions of weak rodlike polyacids, in the absence of added salts or titrating base. The polyacid is modeled as a series of point charges discretely distributod in a straight line with a distance of closest approach for the protons and an average distance between dissociable monomers, projected in the polymer chain axis. Aside from these two geometrical parameters, the dissociation constant for the isolated monomer that describes the proton dissociated monomer interaction forms the basis of the model. The assumption of cylindrical symmetry and the adoption of the cell model lead to a form written in terms of elementary functions for the mean electrostatic potential. Values of pH (related to the proton concentration in a region beyond the influence of the polyacid) as a function of polymer concentration are displayed graphically for some values of the geometrical parameters and of the dissociation, constant. Theoretical predictions of pH values as a function of polymeric concentration are compared with measured values for poly-L-glutamic and polygalacturonic acids, and a good agreement is found. Theoretical values for the dissociation degree in terms of polymeric concentration are shown for the two experimentally investigated systems. These values are in a range appreciably smaller than what is usually studied as a result of titration.

Coil to extended coil transition in polygalacturonic acid: Conductometric titration and monte carlo simulations

The conformational transition from coil to extended coil for polygalacturonic acid has been studied by conductometric titrations and Monte Carlo simulations. The results of conductometric titrations at different polymer concentrations have been analyzed using the model proposed by Manning,1 which describes the conductivity of polyelectrolitic solutions. This experimental approach provides the transport factor and the average distance between charged groups at different degrees of ionization (α). The mean distances between charged groups have been compared with the values obtained by Monte Carlo simulations. In these simulations the polymer chain is modeled as a self-avoiding random walk in a cubic lattice. The monomers interact through the unscreened Coulombic potential. The ratio between the end-to-end distance and the number of ionized beads provides the average distance between charged monomers. The experimental and theoretical values are in good agreement for the whole range of ionization degrees accessed by conductometric titrations. These results suggest that the electrostatic interactions seem to be the major contribution for the coil to extended coil conformational change. The small deviations for α ≤ 0.5 suggests that the stiffness of the chain, associated with local interactions, becomes increasingly significant as the fraction of charged groups is decreased. © 2000 American Chemical Society.

Structure and weak hydrogen bonds in liquid acetaldehyde

Monte Carlo simulations have been performed to investigate the structure and hydrogen bonds formation in liquid acetaldehyde. An all atom model for the acetaldehyde have been optimized in the present work. Theoretical values obtained for heat of vaporisation and density of the liquid are in good agreement with experimental data. Graphics of radial distribution function indicate a well structured liquid compared to other similar dipolar organic liquids. Molecular mechanics minimization in gas phase leads to a trimer of very stable structure. The geometry of this complex is in very good agreement with the rdf. The shortest site-site correlation is between oxygen and the carbonyl hydrogen, suggesting that this correlation play a important role in the liquid structure and properties. The O⋯H average distance and the C-H⋯O angle obtained are characteristic of weak hydrogen bonds.

Morphological characteristics of foramen of Vesalius and its relationship with clinical implications

The aim of this study was to evaluate the incidence as well morphometry of the foramen of Vesalius in human skulls and analyzing their clinical importance. Dry human skulls (n = 80) and with gender distinction were used (40 male and 40 female). The results demonstrates an total incidence of 40%, 13.75% skulls with the bilateral presence of the foramen, 26.25% skulls with the unilateral presence of the foramen, 31.25% skulls with foramen only of the right side, 22.50% skulls with foramen only of the left side, 25% masculine skulls with at least 1 foramen and 52.25% skulls with at least 1 foramen. The morphometry showed an average diameter of 1.457 ± 1.043 mm on the right and 1592 ± 0938 mm to the left. The average distance to the foramen ovale was 1.853 ± 0.303 mm on the right side and 2.464 ± 0.311 mm on the left. It can be concluded that a deepened anatomical study of the foramen of Vesalius collaborates not only for anatomical knowledge of this structure, but also in clinical situations involving this foramen.

Análise das ações técnicas de jogadores e das estratégias de finalizações no futebol, a partir do tracking computacional

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estudo da interação entre flavonóides e a albumina do soro humano

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Implicações do uso de recptores GPS de navegação sem conhecimento de suas limitações e configurações básicas

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

Identificação de regiões relacionadas ao déficit hídrico em Eucalyptus por meio de marcadores moleculares

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Mapeamento genético e identificação de marcadores aflp, microssatélites genômicos e funcionais associados a parâmetros agroindustriais em cana-de-açúcar

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Identificação de marcadores microssatélites genômicos e funcionais associados a parâmetros agroindustriais em cana-de-açúcar

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Avaliação da posição dos caninos superiores impactados por meio de tomografia computadorizada de feixe cônico

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Comparação das variáveis hemodinâmicas durante o teste de caminhada de seis minutos e o teste de escada em adultos saudáveis

The effort test can be used to assess functional capacity, clinical hemodynamic and metabolic response at the effort, the risk of postoperative pulmonary complications and to assess the response of patients with lung diseases submitted to physiotherapy treatment. Among the stress tests we highlight the Six Minute Test Walk (6 MWT) and Stair Climbing Test (SCT), because they are easy to use and low cost. Especially the SCT is widely used in patients preoperatively. Objective: To compare the effects of six minute walk test and stair climbing test under the hemodynamic and oxygenation in healthy adults. Methods: We conducted a study with healthy subjects above 50 years. The fi rst performed was 6 MWT in quick step with encouragement, in a plan corridor of 30 meters, where the shade was determined the distance walked in 6 minutes, after 6 MWT was performed de SCT with encouragement, on a ladder in shade, consists of 44 steps, with 4 bids and bid by 11 steps, each step measured 16 cm in a total of 7.04 m of height, where the rise time was clocked. Before and after the two tests were measured respiratory rate, pulse, blood pressure and oxygen saturation. Results: We evaluated 21 patients with age 59.6 ± 5.4 years, 5 men and 16 women. The average distance covered on the 6MWT was 496.4 ± 102.2 meters and the average time in SCT 22.6 ± 5.4 seconds. The variables pulse, respiratory rate, systolic blood pressure and Borg scale presented a signifi - cant increase after the tests, however the variables oxygen saturation and diastolic blood pressure did not change signifi cantly. Conclusion: The variables pulse, respiratory rate, systolic blood pressure and Borg scale tests increased after six-minute walk test and stair climbing test but with greater signifi cance after the stair climbing test. Oxygen saturation and diastolic blood pressure did not change signifi cantly after the tests.

Measurements of labile Cd, Cu, Ni, Pb, and Zn levels at a northeastern Brazilian coastal area under the influence of oil production with diffusive gradients in thin films technique (DGT)

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)