Metal carbonyls with zinciron bond: synthesis and vibrational spectra

The compounds of the type LZnFe(CO)4 (L = dien, trien, tn, s-diMeen, Meen) not yet reported and (NH3)3ZnFe(CO)4, already known, were prepared and studied by IR and Raman spectroscopy. The data obtained suggest that LZnFe(CO)4, for L = (NH3)3, dien and trien are monomers with a bipyramidal trigonal configuration around the iron atom, while for L = tn, s-diMeen and Meen the complexes are probably polymers having a center of symmetry with iron atoms octahedrally co-ordinated. © 1979.

Structural studies in lead germanate glasses: EXAFS and vibrational spectroscopy

The Raman, IR absorption and EXAFS spectra at the Ge K-edge and Pb LIII-edge of eight lead germanate glasses, with general formula xPbO(1-x)GeO2 with x = 0.20, 0.25, 0.33, 0.40, 0.50, 0.53, 0.56 and 0.60, have been measured. The occurrence of [GeO6] units besides [GeO4] could not be deduced unambiguously from the data. The vibrational and EXAFS data agree with a progressive depolymerization of the network. Starting from all Ge atoms linked to four bridging oxygens in GeO2 (x = 0), the number of tetrahedral units with one or two non-bridging oxygens increases with x. At low content, Pb2+ ions act as modifiers in the germanate structure, but to a lesser extent than an equivalent number of alkaline ions. © 1993.

Geothermal investigations in an area of induced seismic activity, northern São Paulo State, Brazil

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Vibrational-rotational structure of supersingular plus Coulomb potential A/r4 - Z/r*

The vibrational-rotational states of the supersingular plus Coulomb potential A/r4 - Z/r are variationally constructed using a nonorthogonal basis of atomic hydrogenic eigenfunctions modulated by an exponential factor exp(- α/r), ensuring the correct behavior in the vicinity of the supersingularity. The construction is carried out in two successive stages. The first stage is restricted to trial functions without radial nodes, leading to a variational optimization of the parameters of the basis for each value of the angular momentum. The second stage uses the complete basis to construct linear trial functions and to formulate the variational problem in terms of secular equations, yielding the successive vibrational and rotational states. Numerical results for the corresponding energy levels are presented for different combinations of the intensity parameters of the potential. © 2001 Plenum Publishing Corporation.

Investigations into the use of the finite element method and artificial neural networks in the non-destructive analysis of metallic tubes

This work presents an investigation into the use of the finite element method and artificial neural networks in the identification of defects in industrial plants metallic tubes, due to the aggressive actions of the fluids contained by them, and/or atmospheric agents. The methodology used in this study consists of simulating a very large number of defects in a metallic tube, using the finite element method. Both variations in width and height of the defects are considered. Then, the obtained results are used to generate a set of vectors for the training of a perceptron multilayer artificial neural network. Finally, the obtained neural network is used to classify a group of new defects, simulated by the finite element method, but that do not belong to the original dataset. The reached results demonstrate the efficiency of the proposed approach, and encourage future works on this subject.

An investigations on local and global behavior of a (SMA) oscillator of 3 - DOF driven by a limited power supply

SMART material systems offer great possibilities in terms of providing novel and economical solutions to engineering problems. The technological advantages of these materials over traditional ones are due to their unique microstructure and molecular properties. Smart materials such as shape memory alloys (SMA), has been used in such diverse areas of engineering science, nowadays. In this paper, we present a numerical investigation of the dynamics interaction of a nonideal structure (NIS). We analyze the phenomenon of the passage through resonance region in the steady state processes. We remarked that this kind of problem can lead to the so-called Sommerfeld effect: steady state frequencies of the DC motor will usually increase as more power (voltage) is given to it in a step-by-step fashion. When a resonance condition with the structure it is reached, the better part of this energy it is consumed to generate large amplitude vibrations of the foundation without sensible change of the motor frequency as before. The results obtained by using numerical simulations are discussed in details. Copyright © 2009 by ASME.

Investigations on the full polarimetric PALSAR data to discriminate macrophytes species in the Amazon floodplain wetland

The purpose of this work is to evaluate the capacity of full polarimetric L band data to discriminate macrophyte species in Amazon wetland. Fieldwork was carried out almost simultaneously to the acquisition of the full polarimetric PALSAR data. Coherent and incoherent attributes were extracted from the image, and macrophyte morphological variables were measured on the ground. The image attributes and the macrophyte variables were compared in order to evaluate their application for discriminating macrophytes species. The findings suggest that polarimetric information could be adopted to discriminate plant species based on morphology, and that estimation of plant biomass and productivity could be improved by using the polarimetric information. © 2010 IEEE.

Fish exposure to nano-TiO2 under different experimental conditions: Methodological aspects for nanoecotoxicology investigations

The ecotoxicology of nano-TiO2 has been extensively studied in recent years; however, few toxicological investigations have considered the photocatalytic properties of the substance, which can increase its toxicity to aquatic biota. The aim of this work was to evaluate the effects on fish exposed to different nano-TiO2 concentrations and illumination conditions. The interaction of these variables was investigated by observing the survival of the organisms, together with biomarkers of biochemical and genetic alterations. Fish (Piaractus mesopotamicus) were exposed for 96h to 0, 1, 10, and 100mg/L of nano-TiO2, under visible light, and visible light with ultraviolet (UV) light (22.47J/cm2/h). The following biomarkers of oxidative stress were monitored in the liver: concentrations of lipid hydroperoxide and carbonylated protein, and specific activities of superoxide dismutase, catalase, and glutathione S-transferase. Other biomarkers of physiological function were also studied: the specific activities of acid phosphatase and Na,K-ATPase were analyzed in the liver and brain, respectively, and the concentration of metallothionein was measured in the gills. In addition, micronucleus and comet assays were performed with blood as genotoxic biomarkers. Nano-TiO2 caused no mortality under any of the conditions tested, but induced sublethal effects that were influenced by illumination condition. Under both illumination conditions tested, exposure to 100mg/L showed an inhibition of acid phosphatase activity. Under visible light, there was an increase in metallothionein level in fish exposed to 1mg/L of nano-TiO2. Under UV light, protein carbonylation was reduced in groups exposed to 1 and 10mg/L, while nucleus alterations in erythrocytes were higher in fish exposed to 10mg/L. As well as improving the understanding of nano-TiO2 toxicity, the findings demonstrated the importance of considering the experimental conditions in nanoecotoxicological tests. This work provides information for the development of protocols to study substances whose toxicity is affected by illumination conditions. © 2013 Elsevier B.V..

Dicroísmo circular vibracional e eletrônico na determinação da configuração absoluta de benzopiranos de Peperomia obtusifolia e Piper gaudichaudianum (Piperaceae): implicações biológicas e biossintéticas

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Theoretical investigation of geometric configurations and vibrational spectra in citric acid complexes

The performance of advanced electronic ceramics is directly related to the synthesis route employed. Sol-gel methods are widely used for this purpose. However, the physicochemical intermediate steps are still not well understood. Better understanding and control of these processes can improve the final quality of samples. In this work, we studied theoretically the formation of metal complexes between citric acid and lithium or barium metal cations with different citric acid/metal proportions, using Density Functional Theory electronic structure calculations. Infrared and Raman scattering spectra were simulated for the more stable geometric configurations. Using this methodology, we identified some features of complexes formed in the synthesis process. Our results show that the complexes can be distinguished by changes in the bands assigned to C=O, COH-, and COO- group vibrations. An estimate of the most stable complexes is made based on total energy.

Experimental and Theoretical Investigations of Electronic Structure and Photoluminescence Properties of beta-Ag2MoO4 Microcrystals

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Vibrational spectroscopy for probing molecular-level interactions in organic films mimicking biointerfaces

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

First principles investigations on the electronic structure of anchor groups on ZnO nanowires and surfaces

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Electrochemical investigations on the capacity of flavonoids to protect DNA against damage caused by textile disperse dyes

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

Numerical and experimental investigations of three-dimensional container filling with Newtonian viscous fluids

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)