Intersubband plasmon-phonon modes in quantum wires at high temperatures

Coupled intersubband plasmon-phonon modes are studied in a multisubband parabolic quantum wire at room temperatures. These modes are found by calculating the spectral weight function which is related to the inelastic Raman spectra. We use a 13 subband model. The plasmon-phonon coupling strongly modifies the dispersion relation of the intersubband modes in the vicinity of the optical phonon frequency omega(LO). Extra modes show up as a result of the electron-phonon interaction. We carefully study the density and temperature dependence of these extra modes. We also show that coupled intersubband plasmon-phonon modes should be observed for temperatures as high as 300 K.

SPH simulations of clumps formation by dissipative collision of molecular clouds - I. Non magnetic case

Computer experiments of interstellar cloud collisions were performed with a new smoothed-particle-hydrodynamics (SPH) code. The SPH quantities were calculated by using spatially adaptive smoothing lengths and the SPH fluid equations of motion were solved by means of a hierarchical multiple time-scale leapfrog. Such a combination of methods allows the code to deal with a large range of hydrodynamic quantities. A careful treatment of gas cooling by H, H(2), CO and H II, as well as a heating mechanism by cosmic rays and by H(2) production on grains surface, were also included in the code. The gas model reproduces approximately the typical environment of dark molecular clouds. The experiments were performed by impinging two dynamically identical spherical clouds onto each other with a relative velocity of 10 km s(-1) but with a different impact parameter for each case. Each object has an initial density profile obeying an r(-1)-law with a cutoff radius of 10 pc and with an initial temperature of 20 K. As a main result, cloud-cloud collision triggers fragmentation but in expense of a large amount of energy dissipated, which occurred in the head-on case only. Off-center collision did not allow remnants to fragment along the considered time (similar to 6 Myr). However, it dissipated a considerable amount of orbital energy. Structures as small as 0.1 pc, with densities of similar to 10(4) cm(-3), were observed in the more energetic collision.

Indole ring oxidation by activated leukocytes prevents the production of hypochlorous acid

Hypochlorous acid (HOCl) released by activated leukocytes has been implicated in the tissue damage that characterizes chronic inflammatory diseases. In this investigation, 14 indole derivatives, including metabolites such as melatonin, tryptophan and indole-3-acetic acid, were screened for their ability to inhibit the generation of this endogenous oxidant by stimulated leukocytes. The release of HOCl was measured by the production of taurine-chloramine when the leukocytes (2 x 10(6) cells/mL) were incubated at 37ºC in 10 mM phosphate-buffered saline, pH 7.4, for 30 min with 5 mM taurine and stimulated with 100 nM phorbol-12-myristate acetate. Irrespective of the group substituted in the indole ring, all the compounds tested including indole, 2-methylindole, 3-methylindole, 2,3-dimethylindole, 2,5-dimethylindole, 2-phenylindole, 5-methoxyindole, 6-methoxyindole, 5-methoxy-2-methylindole, melatonin, tryptophan, indole-3-acetic acid, 5-methoxy-2-methyl-3-indole-acetic acid, and indomethacin (10 µM) inhibited the chlorinating activity of myeloperoxidase (MPO) in the 23-72% range. The compounds 3-methylindole and indole-3-acetic acid were chosen as representative of indole derivatives in a dose-response study using purified MPO. The IC50 obtained were 0.10 ± 0.03 and 5.0 ± 1.0 µM (N = 13), respectively. These compounds did not affect the peroxidation activity of MPO or the production of superoxide anion by stimulated leukocytes. By following the spectral change of MPO during the enzyme turnover, the inhibition of HOCl production can be explained on the basis of the accumulation of the redox form compound-II (MPO-II), which is an inactive chlorinating species. These results show that indole derivatives are effective and selective inhibitors of MPO-chlorinating activity.

Synthesis and characterization of mesoporous TiO2 nanostructured films prepared by a modified sol-gel method for application in dye solar cells

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

Mathematical equation correction to spectral and transport interferences in high-resolution continuum source flame atomic absorption spectrometry: determination of lead in phosphoric acid

Um método de correção de interferência espectral e de transporte é proposto, e foi aplicado para minimizar interferências por moléculas de PO produzidas em chama ar-acetileno e de transporte causada pela variação da concentração de ácido fosfórico. Átomos de Pb e moléculas de PO absorvem a 217,0005 nm, então Atotal217,0005 nm = A Pb217,0005 nm + A PO217,0005 nm. Monitorando o comprimento de onda alternativo de PO em 217,0458 nm, é possível calcular a contribuição relativa de PO na absorbância total a 217,0005 nm: A Pb217,0005 nm = Atotal217,0005 nm - A PO217,0005 nm = Atotal217,0005 nm - k (A PO217,0458 nm). O fator de correção k é a razão entre os coeficientes angulares de duas curvas analíticas para P obtidas a 217,0005 e 217,0458 nm (k = b217,0005 nm/b217,0458 nm). Fixando-se a taxa de aspiração da amostra em 5,0 ml min-1, e integrando-se a absorbância no comprimento de onda a 3 pixels, curvas analíticas para Pb (0,1 - 1,0 mg L-1) foram obtidas com coeficientes de correlação típicos > 0,9990. As correlações lineares entre absorbância e concentração de P nos comprimentos de onda 217,0005 e 217,0458 foram > 0,998. O limite de detecção de Pb foi 10 µg L-1. O método de correção proposto forneceu desvios padrão relativos (n=12) de 2,0 a 6,0%, ligeiramente menores que os obtidos sem correção (1,4-4,3%). As recuperações de Pb adicionado às amostras de ácido fosfórico variaram de 97,5 a 100% (com correção pelo método proposto) e de 105 a 230% (sem correção).

DETERMINATION of SILICON IN LUBRICANT OIL BY HIGH-RESOLUTION CONTINUUM SOURCE FLAME ATOMIC ABSORPTION SPECTROMETRY USING LEAST-SQUARE BACKGROUND CORRECTION and INTERNAL STANDARDIZATION

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

Assessment of by-products of chlorination and photoelectrocatalytic chlorination of an azo dye

The present work describes a more efficient methodology for the chlorination of water containing disperse dyes, where the chlorinated byproducts identified by mass spectra are compared. this investigation, we tested the degradation of Cl Disperse Blue 291 dye, 2-[(2-Bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)-4-methoxyacetanilide) a commercial azo dye with mutagenic properties. The present work evaluates the photoelectrocatalytic efficiency of removing the Cl Disperse Blue 291 dye from a wastewater of the textile industry. We employed NaCl as a supporting electrolyte. It should be noted that photoelectrocatalytic techniques are non-conventional method of generating chlorine radicals. The by-products formed in this process were analyzed using spectrophotometry, liquid chromatography, dissolved organic carbon, mass spectral analysis and mutagenicity assays. The process efficiency was compared with the conventional chlorination process adopted during sewage and effluents treatment processes. This conventional chlorination process is less efficient in removing color, total organic carbon than the photoelectrochemistry technique. Furthermore, we shall demonstrate that the mutagenicity of the generated by-products obtained using photoelectrocatalysis is completely different from that obtained by the conventional oxidation of chloride ions in the drinking wafer treatment process. (C) 2012 Published by Elsevier B.V.

Synthesis, spectral and thermal studies on dicarboxylate-bridged palladium(II) coordination polymers. Part I

This work describes the synthesis, IR and (13)C CPMAS NMR spectroscopic as well the thermal characterization of the new dicarboxylate complexes [Pd(2)(ox)(2)(4,4'-bipy)]n (1), [Pd(2)(ox)(2)(bpe)](n) (2) and [Pd(2)(ox)(2)(pz)](n) (3) {ox = oxalate, bipy = 4,4'-bipyridine, bpe = 1,2-bis(4-pyridyl)ethane, pz = pyrazine}. TG experiments reveal that compounds 1-3 undergo thermal decomposition in three steps. Metal palladium was the final product of the thermal decompositions, which was identified by X-ray powder diffraction.

Synthesis, spectral and thermal studies on dicarboxylate-bridged palladium(II) coordination polymers. Part II

The synthesis and thermal behavior of the new [Pd(fum)(bipy)] (n) center dot 2nH(2)O (1), [Pd(fum)(bpe)] (n) center dot nH(2)O (2) and [Pd(fum)(pz)] (n) center dot 3nH(2)O (3) {bipy = 4,4'-bipyridine, bpe = 1,2-bis(4-pyridyl)ethene and pz = pyrazine} fumarate complexes are described in this work as well their characterization by IR and (13)C CPMAS NMR spectroscopies. TG curves showed that the compounds released organic ligands and lattice water molecules in the temperature range of 46-491 A degrees C. In all the cases, metallic palladium was identified as the final residue.

Peak Separation by Derivative Spectroscopy Applied to FTIR Analysis of Hydrolized Silica

Reliable spectral analysis is only achieved if the spectrum is thoroughly investigated in regard to all hidden and overlapped peaks. This paper describes the steps undertaken to find and separate such peaks in the range of 3000 to 4000 cm(-1) in the case of three different infrared absorption spectra of the glass surface of hydrolyzed silica optical fibers. Peak finding was done by the analysis of the second and fourth derivatives of the digital data, coupled with the available knowledge of infrared spectroscopy of silica-water interaction in the investigated range. Peak separation was accomplished by curve fitting with four different models. The model with the best fit was described by a sum of pure Gaussian peaks. Shoulder limit and detection limit maps were used to validate the revealed spectral features.

The activity of amino acids produced by Paenibacillus macerans and from commercial sources against the root-knot nematode Meloidogyne exigua

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Performance of a reciprocal shaker in mechanical dispersion of soil samples for particle-size analysis

A dispersão da amostra de solo é uma etapa fundamental da análise granulométrica, sendo realizada mediante o uso de dispersantes químicos e agitação mecânica. O objetivo deste trabalho foi avaliar a eficiência de mesa agitadora reciprocante de baixa rotação na dispersão mecânica de amostras de solos de diferentes classes texturais. Foram realizadas análises granulométricas em 61 amostras com quatro repetições, empregando o método da pipeta para determinação da fração argila e tamisagem para determinação das frações areia grossa, areia fina e areia total, sendo o silte determinado por diferença. Na avaliação de desempenho, os resultados obtidos com uso da mesa agitadora reciprocante (MAR) foram comparados com dados disponíveis para as mesmas amostras oriundos de relatórios do Ensaio de Proficiência IAC para Laboratórios de Análises de Solos - Prolab/IAC. Análises de acurácia foram realizadas com base nos valores dos intervalos de confiança definidos para cada fração granulométrica componente de cada amostra ensaiada. Indicadores gráficos também foram utilizados na comparação de dados, por meio de dispersão e ajuste linear. A estatística descritiva indicou preponderância de baixa variabilidade em mais de 90 % dos resultados obtidos para as amostras de texturas arenosa, média e argilosa e em 68 % dos obtidos para as amostras de textura muito argilosa, indicando boa repetibilidade dos resultados obtidos com a MAR. Média variabilidade foi mais frequentemente associada à fração silte, seguida da fração areia fina. Os resultados das análises de sensibilidade indicam acurácia de 100 % nas três frações granulométricas - areia total, silte e argila - para todas as amostras analisadas pertencentes às classes texturais muito argilosa, argilosa e média. Para as nove amostras de textura arenosa, a acurácia média foi de 85,2 %, e os maiores desvios ocorreram em relação à fração silte. Nas aproximações lineares, coeficientes de correlação igual (silte) ou superiores (areia total e argila) a 0,93, bem como diferenças menores do que 0,16 entre os coeficientes angulares das retas e o valor unitário, indicam alta correlação entre os resultados de referência (Prolab/IAC) e os obtidos nos ensaios com a MAR. Conclui-se pelo desempenho satisfatório da mesa agitadora reciprocante de baixa rotação para dispersão mecânica de amostras de solo de diferentes classes texturais para fins de análise granulométrica, permitindo recomendar o uso alternativo do equipamento quando se emprega agitação lenta. As vantagens do uso do equipamento nacional incluem o baixo custo, a possibilidade de análise simultânea de grande número de amostras e o uso de frascos comuns, de vidro ou de plástico, baratos e de fácil reposição.

Electron transfer by singlet excited state of porphyn and electron acceptor affinity in rigid medium: photoacoustic phase angle analysis

A espectroscopia fotoacústica obtém informações sobre amplitude e fase, da resposta de um sistema submetido a excitação por luz. Este artigo apresenta estudos do ângulo de fase no processo de transfereência de elétrons entre octaetilporfirina (OEP) e derivados de quinona ambos dispersos em uma matriz polimérica. Observou-se uma tendência no comportamento da fase para valores menores na região espectral próximo de 620 nm. Enquanto que para comprimentos de onda menores este efeito não foi apresentado. Estas medidas sugerem que a transferência de elétrons para o aceitador ocorreu com a participação do estado singleto excitado da octaetilporfirina.

Enhanced multiwavelength holographic profilometry by laser mode selection

A method for improving the accuracy of surface shape measurement by multiwavelength holography is presented. In our holographic setup, a Bi12TiO20 photorefractive crystal was the holographic recording medium, and a multimode diode laser emitting in the red region was the light source in a two-wave mixing scheme. on employing such lasers the resulting holographic image appears covered with interference fringes corresponding to the object relief, and the interferogram spatial frequency is proportional to the diode laser's free spectral range (FSR). Our method consists in increasing the effective free spectral range of the laser by positioning a Fabry-Perot etalon at the laser output for mode selection. As larger effective values of the laser FSR were achieved, higher-spatial-frequency interferograms were obtained and therefore more sensitive and accurate measurements were performed. The quantitative evaluation of the interferograms was made through the phase-stepping technique, and the phase map unwrapping was carried out through the cellular-automata method. For a given surface, shape measurements with different interferogram spatial frequencies were performed and compared with respect to measurement noise and visual inspection. (c) 2007 Society of Photo-Optical Instrumentation Engineers.

Synthesis, spectral and thermal studies on pyrazolate-bridged palladium(II) coordination polymers

Synthesis, spectroscopic characterization and thermal behavior of pyrazolate-bridged palladium complexes [Pd(mu-Pz)(2)](n) (1), [Pd(mu-mPz)(2)](n) (2), [Pd(mu-dmPz)(2)](n) (3), [Pd(mu-IPz)(2)](n) (4) {pyrazolate (Pz(-)), 4-methylpyrazolate (mPz(-)), 3,5-dimethylpyrazolate (dmPz(-)), 4-iodopyrazolate (IPz(-))} have been described in this work. The exobidentate coordination mode of pyrazolato ligands in 1-4 was inferred on basis of IR spectroscopic evidences. TG investigations indicated that the introduction of substituents at the 4 position in the pyrazolyl moiety into coordination polymers do not affect significantly their thermal stability, whereas at the 3 and 5 position reduced the stability of the main chain. Metal palladium was the final product of the thermal decompositions, which was identified by X-ray powder diffraction.