Caracterização de solos sob diferentes ambientes na região Sul do Amazonas

Pós-graduação em Agronomia (Ciência do Solo) - FCAV

Desenvolvimento de revestimentos híbridos do sistema siloxano-PMMA com aplicações anticorrosivas

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Efeito de sistemas de preparo e manejo do solo, culturas de cobertura e rotação nas propriedades físico-químicas do solo e na cultura do milho

Pós-graduação em Agronomia - FEIS

Qualidade física e química do solo em sistemas de cultivo e produtividade do milho e da soja

Pós-graduação em Agronomia (Ciência do Solo) - FCAV

Solos do assentamento malhada do meio, Chapadinha-MA: classificação e variabilidade espacial de seus atributos

Pós-graduação em Agronomia (Ciência do Solo) - FCAV

Foraminifera, thecamoebians and palynomorphs as hydrodynamic indicators in Araguari Estuary, Amazonian Coast, Amapá State - Brazil

O regime de macromaré e a pororoca controlam a dinâmica estuarina do Araguari, na qual é muito diferente dos modelos tradicionais dos estuários sob este regime de maré. Objetivando estabelecer zonas estuarinas no Araguari com base em assembléias de foraminíferos, tecamebas, palinomorfos e parâmetros físico-químicos, foram estabelecidas dezesseis estações amostrais ao longo do estuário. A turbidez e a temperatura foram os parâmetros ambientais que permitiram determinar gradiente estuarino. Dezoito espécies de foraminíferos, dez espécies de tecamebas e quatorze espécies de palinomorfos foram identificadas. A análise de agrupamento em modo-R mostrou a existência de assembléias de foraminíferos e quatro de palinomorfos. A análise em CCA demonstrou que a turbidez e a matéria orgânica como os parâmetros de maior influência na distribuição dos foraminíferos tecamebas no Araguari. A análise de agrupamento em Modo-Q usando todos os dados formou quarto grupos de estações que sugerem a existência de três zonas estuarinas: Zona I - composta por tecamebas e palinomorfos continentais; Zona II - compostas por foraminíferos de manguezal, acritacos e todas as assembléias de palinomorfos; e Zona III - composta por foraminíferos de manguezal e estuarinos e por todas as assembléias de palinomorfos.

Caracterização de um latossolo em sistemas agroflorestais e mata com o uso de análise estatística multivariada

Pós-graduação em Agronomia (Ciência do Solo) - FCAV

Selective DMSO-induced conformational changes in proteins from Raman optical activity

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

Light-Induced Structural Change in Iridium Complexes Studied by Electron Spin Resonance

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Atributos do solo e flora infestante em sistema de semeadura direta do milho na palha de leguminosas arbóreas

Pós-graduação em Agronomia (Ciência do Solo) - FCAV

Development and validation of the quantitative analysis of ampicillin sodium in powder for injection by Fourier-transform infrared spectroscopy (FT-IR)

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

Estudo da efetividade da atenuação natural de compostos BTEX em área contaminada por querosene de aviação

Pós-graduação em Geociências e Meio Ambiente - IGCE

Correlation Between Molecular Conformation, Packing, and Dynamics in Oligofluorenes: A Theoretical/Experimental Study

Fluorene-based systems have shown great potential as components in organic electronics and optoelectronics (organic photovoltaics, OPVs, organic light emitting diodes, OLEDs, and organic transistors, OTFTs). These systems have drawn attention primarily because they exhibit strong blue emission associated with relatively good thermal stability. It is well-known that the electronic properties of polymers are directly related to the molecular conformations and chain packing of polymers. Here, we used three oligofluorenes (trimer, pentamer, and heptamer) as model systems to theoretically investigate the conformational properties of fluorene molecules, starting with the identification of preferred conformations. The hybrid exchange correlation functional, OPBE, and ZINDO/S-CI showed that each oligomer exhibits a tendency to adopt a specific chain arrangement, which could be distinguished by comparing their UV/vis electronic absorption and C-13 NMR spectra. This feature was used to identify the preferred conformation of the oligomer chains in chloroform-cast films by comparing experimental and theoretical UV/vis and C-13 NMR spectra. Moreover, the oligomer chain packing and dynamics in the films were studied by DSC and several solid state NMR techniques, which indicated that the phase behavior of the films may be influenced by the tendency that each oligomeric chain has to adopt a given conformation.

The dual pathway in action: decoupling parallel routes for CO2 production during the oscillatory electro-oxidation of methanol

As in the case of most small organic molecules, the electro-oxidation of methanol to CO2 is believed to proceed through a so-called dual pathway mechanism. The direct pathway proceeds via reactive intermediates such as formaldehyde or formic acid, whereas the indirect pathway occurs in parallel, and proceeds via the formation of adsorbed carbon monoxide (COad). Despite the extensive literature on the electro-oxidation of methanol, no study to date distinguished the production of CO2 from direct and indirect pathways. Working under, far-from-equilibrium, oscillatory conditions, we were able to decouple, for the first time, the direct and indirect pathways that lead to CO2 during the oscillatory electro-oxidation of methanol on platinum. The CO2 production was followed by differential electrochemical mass spectrometry and the individual contributions of parallel pathways were identified by a combination of experiments and numerical simulations. We believe that our report opens some perspectives, particularly as a methodology to be used to identify the role played by surface modifiers in the relative weight of both pathways-a key issue to the effective development of catalysts for low temperature fuel cells.

The Role of Molecular Conformation and Polarizable Embedding for One- and Two-Photon Absorption of Disperse Orange 3 in Solution

Solvent effects on the one- and two-photon absorption (IPA and 2PA) of disperse orange 3 (DO3) in dimethyl sulfoxide (DMSO) are studied using a discrete polarizable embedding (PE) response theory. The scheme comprises a quantum region containing the chromophore and an atomically granulated classical region for the solvent accounting for full interactions within and between the two regions. Either classical molecular dynamics (MD) or hybrid Car-Parrinello (CP) quantum/classical (QM/MM) molecular dynamics simulations are employed to describe the solvation of DO3 in DMSO, allowing for an analysis of the effect of the intermolecular short-range repulsion, long-range attraction, and electrostatic interactions on the conformational changes of the chromophore and also the effect of the solute-solvent polarization. PE linear response calculations are performed to verify the character, solvatochromic shift, and overlap of the two lowest energy transitions responsible for the linear absorption spectrum of DO3 in DMSO in the visible spectral region. Results of the PE linear and quadratic response calculations, performed using uncorrelated solute-solvent configurations sampled from either the classical or hybrid CP QM/MM MD simulations, are used to estimate the width of the line shape function of the two electronic lowest energy excited states, which allow a prediction of the 2PA cross-sections without the use of empirical parameters. Appropriate exchange-correlation functionals have been employed in order to describe the charge-transfer process following the electronic transitions of the chromophore in solution.