Quantificação de fluxos de mercúrio gasoso na interface solo/atmosfera utilizando câmara de fluxo dinâmica: aplicação na bacia do Rio Negro

Gaseous mercury sampling conditions were optimized and a dynamic flux chamber was used to measure the air/surface exchange of mercury in some areas of the Negro river basin with different vegetal coverings. At the two forest sites (flooding and non-flooding), low mercury fluxes were observed: maximum of 3 pmol m-2 h-1 - day and minimum of -1 pmol m-2 h-1 - night. At the deforested site, the mercury fluxes were higher and always positive: maximum of 26 pmol m-2 h-1 - day and 17 pmol m-2 h-1 - night. Our results showed that deforestation could be responsible for significantly increasing soil Hg emissions, mainly because of the high soil temperatures reached at deforested sites.

Variabilidade espacial e sazonal da concentração de elementos-traço em sedimentos do sistema estuarino de Santos-Cubatão (SP)

Multi-element analyses of sediment samples from the Santos-Cubatão Estuarine System were carried out to investigate the spatial and seasonal variability of trace-element concentrations. The study area contains a rich mangrove ecosystem that is a habitat for tens of thousands of resident and migratory birds, some of them endangered globally. Enrichments of metals in fine-grained surface sediments are, in decreasing order, Hg, Mn, La, Ca, Sr, Cd, Zn, Pb, Ba, Cu, Cr, Fe, Nb, Y, Ni and Ga, relative to pre-industrial background levels. The maximum enrichment ranged from 49 (Hg) to 3.1 (Ga). Mercury concentrations were greater in the Cubatão river than in other sites, while the other elements showed greater concentrations in the Morrão river. Concentrations of Mn were significantly greater in winter and autumn than in summer and spring. However, other elements (e.g. Cd and Pb) showed the opposite, with greater concentrations in summer and spring. This study suggests that seasonal changes in physical and chemical conditions may affect the degree of sediment enrichment and therefore make the assessment of contamination difficult. Consequently, these processes need to be considered when assessing water quality and the potential contamination of biota.

Distribuição espacial de ferro, cobre e chumbo em sedimentos de manguezal em um gradiente de degradação na Baía de Guanabara (Estado do Rio de Janeiro)

Iron, copper and lead distribution was evaluated in sediment cores from a disturbed mangrove area in Guanabara Bay: a core from a seaward site where mangrove vegetation was removed ~20 yr before sampling (MD); a core from an intermediate site with dead vegetation, apparently due to insect attack (MP), and a core from a landward site with living vegetation (MV). Metal concentrations showed increasing values seaward while organic matter content showed an inverse trend, displaying a negative correlation with metals. This unusual correlation indicates opposite sources, since metals come from the bay and the main OM origin is probably degraded mangrove vegetation. Plant cover loss seems to be a critical factor affecting metal accumulation, particularly due to changes in OM input.

Dinâmica complexa no sistema bromato/hipofosfito/acetona/manganês e ferroína

New chemical systems have been recently designed for the study of complex phenomena such as oscillatory dynamics in the temporal domain and spatiotemporal pattern formation. Systems derived from oscillators based on the chemistry of bromate are the most extensively studied, with the celebrated Belousov-Zhabotinsky (BZ) reaction being the most popular example. Problems such as the formation of bubbles (CO2) and solid precipitate in the course of the reaction and the occurrence of simply short-lived oscillations under batch conditions are very common and, in some cases, compromise the use of some of these systems. It is investigated in this paper the dynamic behavior of the bromate/hypophosphite/acetone/dual catalyst system, which has been sugested as an interesting alternative to circumvent those inconvenients. In this work, manganese and ferroin are employed as catalysts and the complete system (BrO3-/H2PO2-/acetone/Mn(II)-ferroin) is studied under batch conditions. Temporal symmetry breaking was studied in a reactor under agitation by means of simultaneous records of the potential changes of platinum and Ag/AgBr electrodes, both measured versus a reversible hydrogen electrode. Additionally, spatio-temporal formation of target patterns and spiral waves were obtained when the oscillating mixture was placed in a quasi two-dimensional reactor.

Perfil espacial e temporal de poluentes nas águas da represa municipal de São José do Rio Preto, São Paulo, Brasil

In this manuscript, seasonal and spatial trends of water collected from two sampling places in the Preto River in the Turvo-Grande watershed were evaluated. Water samples were collected during June/07 to July/08 and parameters sulphate, total organic carbon, ammonia, conductivity, dissolved oxygen, temperature, dissolved total solids and nitrate were quantified. Seasonal trend indicated sanitary effluents as a point source of contamination in both sampling points. Vertical trends demonstrated that the Municipal Dam was not stratified and received a diffuse source of pollutants from flooding and agriculture runoffs. It was also verified that there is relatively fast ammonia consumption kinetics having a half-life time of 1.43 h which can explain the low ammonia concentrations found in these aquatic bodies.

Distribuição espacial de compostos orgânicos de estanho em sedimentos costeiros e em Phallusia nigra da Baía de Todos os Santos e litoral norte da Bahia - Brasil

Organic tin compounds were investigated in the sediment of twenty-four stations located in the Todos os Santos Bay and the north coast of Bahia - Brazil. The concentration of these organic tin was also determined in a ascidium species of Phallusia nigra. The speciation and quantification was performed by GC-MS/MS. The highest concentrations were: tributyltin (TBT) 438 ng g-1, dibutyltin (DBT) 207 ng g-1, monobutyltin (MBT) 423 ng g-1, diphenyltin (DPT) 25.8 ng g-1 and monophenyltin (MPT) 55.0 ng g-1. DBT and MBT were found in Phallusia nigra, with highest concentrations of 294.1 and 148.5 ng g-1, respectively.

Variabilidade espacial e temporal de parâmetros físico-químicos nos rios Turvo, Preto e Grande no estado de São Paulo, Brasil

This work aims to study spatial and seasonal variability of some chemical-physical parameters in the Turvo/Grande watershed, São Paulo State, Brazil. Water samples were taken monthly, 2007/07-2008/11, from fourteen sampling stations sited along the Turvo, Preto and Grande Rivers and its main tributaries. The Principal Component Analysis and hierarchical cluster analysis showed two distinct groups in this watershed, the first one associated for the places more impacted by domestic effluent (lower levels of dissolved oxygen in the studied region). The sampling places located to downstream (Turvo and Grande rivers) were discriminate by diffuse source of pollutants from flooding and agriculture runoffs in a second group.

Bases moleculares da ação anti-inflamatória dos ácidos oleanólico e ursólico sobre as isoformas da ciclo-oxigenase por docking e dinâmica molecular

The triterpenoids oleanolic (OA) and ursolic (UA) acids show non-selective antiinflamatory activity in vitro for cyclooxygenase (COX) isoforms. 3D conformations of OA and UA, with three possible orientations (1, 1' and 2) in the active site of isoforms COX, obtained by docking, were submitted to molecular dynamics. The results show that orientation 2 of the OA in COX-2 is more favorable because orientation 1 moved away from the active site. The carboxylate group of OA interact by hydrogen bonds with Ser353 and with Phe357 and Leu359, mediated by water, while hydroxyl in C-3 interact by hydrogen bond, mediated by water, with Tyr385.

Dinâmica oscilatória em sistemas contendo bromato e 1,4-ciclo-hexanodiona em meio ácido: I. Efeito da temperatura

We present in this work the influence of temperature on the dynamics of homogeneous chemical systems containing bromate and 1,4-cyclohexanedione (1,4-CHD) in acidic media. In particular, the following systems were studied: bromate/1,4-CHD/acid, bromate/1,4-CHD/ferroin/acid and bromate/1,4-CHD/trisbipyridine ruthenium/acid. Investigations were carried out by means of an electrochemical probe, at five temperatures between 5 and 45 °C. Activation energies (Ea) were estimated in different ways for the pre-oscillatory and oscillatory regimes. In any case, the Ea was found to depend on the catalyst, composition and initial concentrations. In addition, it was observed that ferroin and trisbipyridine ruthenium act as catalysts only during the transition between the induction period and oscillatory regime.

Estudo teórico da estrutura eletrônica e da dinâmica induzida por lasers da molécula de HCl

Potential energy and dipole moment curves for the HCl molecule were computed. Calculations were performed at different levels of theory (DFT, MRCI). Spectroscopic properties are reported and compared with experimental data, for validating the theoretical approaches. Interaction of infrared radiation with HCl is simulated using the wave packet formalism. The quantum control model for population dynamics of the vibrational levels, based on pi-pulse theory, is applied. The results demonstrate that wavepackets with specific composition can be built with short infrared laser pulses and provide the basis for studies of H + HCl collision dynamics with infrared laser excitation.

Dinâmica não-linear e reagente limitante: um exemplo de bifurcação transcrítica

The nonlinear analysis of a general mixed second order reaction was performed, aiming to explore some basic tools concerning the mathematics of nonlinear differential equations. Concepts of stability around fixed points based on linear stability analysis are introduced, together with phase plane and integral curves. The main focus is the chemical relationship between changes of limiting reagent and transcritical bifurcation, and the investigation underlying the conclusion.

Análise espacial e quimiométrica da distribuição de espécies metálicas em solos alagáveis e não alagáveis da Bacia do Médio Rio Negro, Amazônia

This study used chemometric tools and a Geographic Information System (GIS) to determine the influence of organic matter and anthropogenic activity on the distribution of metal species between two major communities of the Middle Negro River Basin-AM. Higher concentrations of metal species were determined in flooded regions. The chemometric analysis showed the affinity of organic matter for potentially toxic metals, indicating its selectivity. GIS spatial analysis has shown that proximity to urban areas is a variable that is likely to influence the pattern of concentration of organic matter, and consequently the distribution of metal species between flooded and non-flooded areas.

Arranjo espacial do vira-cabeça do fumo em arapiraca, estado de alagoas

O vira-cabeça do fumo (Nicotiana tabacum), causado pelo Groundnut ringspot virus (GRSV), do gênero Tospovirus, tem sido observado em alta incidência em determinadas áreas da região fumageira do agreste do estado de Alagoas. O arranjo espacial da doença foi analisado em duas áreas de plantio (A e B), formadas por quatro parcelas cada, localizadas no município de Arapiraca. As parcelas foram avaliadas semanalmente, sendo efetuado o mapeamento espacial de plantas sadias e com sintomas de vira-cabeça, bem como determinada a incidência da doença, representada pelo número de plantas com sintomas em relação ao total de plantas avaliadas. Pelas análises de "ordinary runs" e autocorrelação espacial, foi constatada a predominância do arranjo aleatório de plantas doentes, embora tenha sido detectada agregação em alguns casos. Embora não se descarte a possibilidade de mudas infetadas terem influenciado no arranjo da doença, a hipótese mais provável é que as infecções ocorreram principalmente pelo inóculo primário transmitido por tripes virulíferos entrando nas parcelas, oriundos de reservatórios externos.

Dinâmica temporal da Clorose Variegada dos Citros em três regiões do Estado de São Paulo

Este trabalho objetivou esclarecer se o progresso da Clorose Variegada dos Citros (CVC) diferia entre três regiões de São Paulo, distintas quanto à incidência da CVC em citrus (Citrus spp.). Foram avaliadas três áreas, Noroeste, Centro e Sul de São Paulo, durante dois anos, em avaliações quinzenais, quando eram mapeadas as plantas sintomáticas. Tentou-se o ajuste de nove modelos ao progresso da doença, além do ajuste de três modelos a segmentos das curvas originais. Foram estimadas também as diferenciais e as diferenciais secundárias de cada curva de progresso. Apenas quando as curvas foram divididas é que foram obtidos bons ajustes aos modelos de progresso. A diferencial (velocidade da doença) e diferencial secundária (aceleração do aparecimento de novas plantas doentes) apresentaram diversos picos ao longo do tempo. Esses picos ocorreram em meses de Primavera e Verão. Levanta-se aqui a hipótese de que os picos de diferencial - incomuns na quantidade encontrada - estejam relacionados a determinados picos de emissão de brotações, já que as novas brotações são o local preferido de alimentação dos vetores de Xylella fastidiosa.

Giberela do trigo: aspectos epidemiológicos e modelos de previsão

A giberela ou fusariose da espiga é, atualmente, uma das mais importantes doenças da cultura do trigo (Triticum aestivum). Epidemias severas têm sido observadas nos últimos anos em diversas regiões do mundo, promovendo perdas na produtividade e na qualidade dos grãos. No Brasil, a giberela alcançou o status de principal doença nas regiões tritícolas, principalmente no Sul do Brasil. A sua natureza esporádica está associada à dependência climática, sendo as mais severas epidemias observadas em anos com maior freqüência de chuvas, durante a fase de florescimento e enchimento de grãos. Poucas são as cultivares com resistência genética aceitável e essas normalmente falham em anos muito favoráveis a epidemias. Medidas de controle com fungicidas têm sido preconizadas, entretanto, a dificuldade reside no momento e na tecnologia de aplicação, para se obter resultados satisfatórios. O melhor entendimento dos fatores que influenciam a dinâmica da doença pode auxiliar no manejo da cultura visando a minimizar os riscos de epidemias. Aspectos como aerobiologia e tipo de inóculo, distribuição espacial e gradiente espacial da doença podem contribuir no conhecimento da associação e a importância de fontes de inóculo local ou distante ao campo. Recentemente, uma grande atenção tem sido dada ao desenvolvimento de modelos de previsão ou de risco de giberela. Tais modelos podem auxiliar na tomada de decisão no acionamento de medidas de controle bem como alertar níveis epidêmicos da doença em uma determinada região, ou mesmo quanto à alta contaminação do trigo com micotoxinas de Fusarium spp.