V(2)O(5)/TiO(2) catalytic xerogels raman and EPR studies

Raman spectroscopy and Electron Paramagnetic Resonance (EPR) studies were performed on a series of V(2)O(5)/TiO(2) catalysts prepared by a modified sol-gel method in order to identify the vanadium species. Two species of surface vanadium were identified by Raman measurements, monomeric vanadyls and polymeric vanadates. Monomeric vanadyls are characterized by a narrow Raman band at 1030 cm(-1) and polymeric vanadates by two broad bands in the region from 900 to 960 cm(-1) and 770 to 850 cm(-1). The Raman spectra do not exhibit characteristic peaks of crystalline V(2)O(5). These results are in agreement with those of X-ray Diffractometry (XRD) and Fourier Transform Infrared (FT-IR) previously reported (C.B. Rodella et al., J. Sol-Gel Sci. Techn., submitted). At least three families of V(4+) ions were identified by EPR investigations. The analysis of the EPR spectra suggests that isolated V(4+) ions are located in sites with octahedral symmetry substituting for Ti(4+) ions in the rutile structure. Magnetically interacting V(4+) ions are also present as pairs or clusters giving rise to a broad and structureless EPR line. At higher concentration of V(2)O(5), a partial oxidation of V(4+) to V(5+) is apparent from the EPR results.

Potenciais delta revisitados via transformada de Fourier

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Electroactive layer-by-layer films of iron tetrasulfonated phthalocyanine

Electroactive films of iron tetrasulfonated phthalocyanine (FeTsPc) were assembled via the electrostatic layer-by-layer technique (LBL), in which FeTsPc layers were alternated with the polycationic poly(allylamine hydrochloride) (PAN). The multilayer formation was monitored via UV-Vis spectroscopy by measuring the increase in the Q Band of FeTsPc at 676 nm. Film thickness was estimated by profilometry as ca. 10 Angstrom per bilayer. Fourier transform infrared and UV-Vis absorption spectroscopy suggested specific interactions between FeTsPc and PAR Cyclic voltammograms showed reproducible pairs of oxidation-reduction peaks at 0.92 mV and 0.70 mV, respectively, for a 50-bilayer PAH/FeTsPc film at 50 mV/s (vs Ag/AgNO3).

RITZ ANALYSIS OF THE FOURIER SPECTRUM OF CH3OH BETWEEN 350 AND 950 CM(-1)

A new ''Ritz'' program has been used for revising and expanding the assignment of the Fourier transform infrared and far-infrared spectrum of CH3OH. This program evaluates the energy levels involved in the assigned transitions by the Rydberg-Ritz combination principle and can tackle such perturbations as Fermi-type resonances or Coriolis interactions. Up to now this program has evaluated the energies of 2768 levels belonging to A-type symmetry and 4133 levels belonging to E-type symmetry of CH3OH. Here we present the assignment of almost 9600 lines between 350 and 950 cm(-1). The Taylor expansion coefficients for evaluating the energies of the levels involved in the transitions are also given. All of the lines presented in this paper correspond to transitions involving torsionally excited levels within the ground vibrational state. (C) 1995 Academic Press, Inc.

Unusual interactions binding iron tetrasulfonated phthalocyanine and poly(allylamine hydrochloride) in layer-by-layer films

Molecular-level interactions are found to bind iron tetrasulfonated phthalocyanine (FeTsPc) and the polyelectrolyte poly(allylamine hydrochloride) (PAH) in electroactive layer-by-layer (LBL) films. These interactions have been identified by comparing Fourier transform infrared (FTIR) and Raman spectroscopy data from bulk samples of FeTsPc and PAH with those from FeTsPc/PAH LBL films. of particular importance were the SO3- -NH3 interactions that we believe to bind PAH and FeTsPc and the interactions between unprotonated amine groups of PAH and the coordinating metal of the phthalocyanine. The multilayer formation was monitored via UV-vis spectroscopy by measuring the increase in the Q band of FeTsPc at 676 nm. Film thickness estimated with profilometry was ca. I I Angstrom per bilayer for films adsorbed on glass. Reflection absorption infrared spectroscopy (RAIRS) revealed an anisotropy in the LBL film adsorbed on gold with FeTsPc molecules oriented perpendicularly to the substrate plane. Cyclic voltammograms showed reproducible pairs of oxidation-reduction peaks at 1.07 and 0.81 V, respectively, for a 50-bilayer PAH/FeTsPc film at 50 mV/s (vs Ag/Ag+). The peak shape and current dependence on the scan rate suggest that the process is a diffusion controlled charge transport. In the presence of dopamine, the electroactivity of FeTsPc/PAH LBL films vanishes due to a passivation effect. Dopamine activity is not detected either because the interaction between Fe atoms and NH2 groups prevents dopamine molecules from coordinating with the Fe atoms.

Analysis of the ethidium bromide bound to DNA by photoacoustic and FTIR spectroscopy

Under physiological conditions B-form DNA is an exceedingly stable structure. However, experimental evidences obtained through nuclear magnetic resonance and fluorescence anisotropy suggest that the structure of the double helix fluctuates substantially. We describe photoacoustic phase modulation frequency measurements of ethidium bromide (Eb) with calf thymus, DNA. As in fluorescence phase modulation measurements, we used an intercalating dye as a probe; however, we monitored the triplet excited state lifetime at different ionic strengths. The triplet lifetime of Eb varied from about 0.30 ms, with no DNA present, to 20 ms, (at a DNA:Eb molar ratio of 5). With salt titration, this value falls, to about 2.0 ms. This result suggests, a strong coupling between the phenantridinium ring of the ethidium and the base pairs because of the stacking movement of the DNA molecule under salt effect. This, effect may be understood considering DNA as a polyelectrolyte. The counterions, in the solution shield the phosphate groups, reducing the electrostatic repulsion force between them, hence compacting the DNA molecule. The results from Fourier transform infrared demonstrated two important bands: 3187 cm(-1) corresponding to the symmetric stretching of the NH group of the bases, and 1225 cm(-1) corresponding to the asymmetric stretching of phosphate groups shifted toward higher wavenumbers, suggesting a proximity between the intercalant and base pairs and a modification of the DNA backbone state, both induced by salt accretion.

Um método para detecção e classificação de curtos-circuitos em redes de distribuição de energia elétrica baseado na transformada de Fourier e em redes neurais artificiais

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Modelagem estocástica de opções de câmbio no Brasil: aplicação de transformada rápida de Fourier e expansão assintótica ao modelo de Heston

Pós-graduação em Física - IFT

Estimativa do expoente de Hurst de séries temporais de chuvas do estado de São Paulo usando as transformadas de Fourier, Wavelets e análise R/S

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

O uso da análise de Fourier, de Wavelets e dos expoentes de Lyapunov no estudo de um sistema dinâmico não-ideal com atrito seco e excitação externa

Pós-graduação em Física - IGCE

Microespectroscopia infravermelha por transformada de fourier: identificação e discriminação de cepas clínicas de Candida albicans e Candida glabrata

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Análise de queilite actínica por espectroscopia micro FT-IR

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Modelagem do mCSEM no domínio do tempo usando transformada discreta de Fourier

A modelagem do mCSEM é feita normalmente no domínio da frequência, desde sua formulação teórica até a análise dos resultados, devido às simplificações nas equações de Maxwell, possibilitadas quando trabalhamos em um regime de baixa frequência. No entanto, a abordagem através do domínio do tempo pode em princípio fornecer informação equivalente sobre a geofísica da subsuperfície aos dados no domínio da frequência. Neste trabalho, modelamos o mCSEM no domínio da frequência em modelos unidimensionais, e usamos a transformada discreta de Fourier para obter os dados no domínio do tempo. Simulamos ambientes geológicos marinhos com e sem uma camada resistiva, que representa um reservatório de hidrocarbonetos. Verificamos que os dados no domínio do tempo apresentam diferenças quando calculados para os modelos com e sem hidrocarbonetos em praticamente todas as configurações de modelo. Calculamos os resultados considerando variações na profundidade do mar, na posição dos receptores e na resistividade da camada de hidrocarbonetos. Observamos a influência da airwave, presente mesmo em profundidades oceânicas com mais de 1000m, e apesar de não ser possível uma simples separação dessa influência nos dados, o domínio do tempo nos permitiu fazer uma análise de seus efeitos sobre o levantamento. Como parte da preparação para a modelagem em ambientes 2D e 3D, fazemos também um estudo sobre o ganho de desempenho pelo uso do paralelismo computacional em nossa tarefa.

Filtragem de sinais de interferência em espectros dinâmicos solares através de suas componentes de Fourier

Through the data acquisition system of the instrument Brazilian Solar Spectroscope (BSS) at INPE, solar observations in the decimetric radio wave band (1000-2500 MHz) are regularly made. This data is showed as dynamic spectra using the software BSSView created for this purpose. The process of data acquisition can be influenced by various sources, dificulting the resulting dynamic spectrum analysis. The objective of this work is to create a computational routine that eliminates dynamic components of the spectrum attributed to interfering signals and integrate it into BSSView. It was done a preliminary study on the programming language Interactive Data Language (IDL), in which the BSSView was developed, and the Fourier transform, that is required for the application of the filter

Transformada de Fourier: teoria como base para aplicações em mecânica celeste

Pós-graduação em Matemática Universitária - IGCE