Biogeochemistry of the Eastern Weddell Gyre

The Southern Ocean (SO) plays a key role in modulating atmospheric CO2 via physical and biological processes. However, over much of the SO, biological activity is iron-limited. New in situ data from the Antarctic zone south of Africa in a region centered at -20°E - 25°E reveal a previously overlooked region of high primary production, comparable in size to the northwest African upwelling region. Here, sea ice together with enclosed icebergs is channeled by prevailing winds to the eastern boundary of the Weddell Gyre, where a sharp transition to warmer waters causes melting. This cumulative melting provides a steady source of iron, fuelling an intense phytoplankton bloom that is not fully captured by monthly satellite production estimates. These findings imply that future changes in sea-ice cover and dynamics could have a significant effect on carbon sequestration in the SO.

Un modelo para comprender la dinámica de los territorios rurales. El caso de la Argentina

Los territorios rurales de América Latina, y de la Argentina en particular, han sufrido cambios profundos en las últimas décadas producto de transformaciones en materia productiva, demográfica y social. Los cambios son complejos y han dado lugar a una multiplicidad de miradas y de enfoques sobre la nueva realidad. Frente a esta creciente complejidad, se plantea la construcción de un modelo interpretativo de la realidad rural de la Argentina que bien puede contribuir también para abordar las realidades de otros mundos rurales latinoamericanos. El modelo conceptual que se ofrece se construyó a partir del análisis empírico de numerosos casos de territorios rurales de la Argentina. Dicho modelo permite comprender los complejos procesos de organización y la dinámica rural, además de constituirse en una herramienta de prognosis para la definición de políticas públicas acordes que alienten nuevas dinámicas de desarrollo rural en la Argentina

A Lanczos-powered implementation of the Faber polynomial quantum time propagator for reaction probabilities

Complementing our recent work on subspace wavepacket propagation [Chem. Phys. Lett. 336 (2001) 149], we introduce a Lanczos-based implementation of the Faber polynomial quantum long-time propagator. The original version [J. Chem. Phys. 101 (1994) 10493] implicitly handles non-Hermitian Hamiltonians, that is, those perturbed by imaginary absorbing potentials to handle unwanted reflection effects. However, like many wavepacket propagation schemes, it encounters a bottleneck associated with dense matrix-vector multiplications. Our implementation seeks to reduce the quantity of such costly operations without sacrificing numerical accuracy. For some benchmark scattering problems, our approach compares favourably with the original. (C) 2004 Elsevier B.V. All rights reserved.

Symmetry contaminations in reactive scattering through long-lived collision complexes

We extend our Lanczos subspace time-independent wave packet method [J. Chem. Phys. 116 (2002) 2354] to investigate the issue of symmetry contaminations for the challenging deep-well H + O-2 reaction. Our central objective is to address the issue of whether significant symmetry contamination can occur if a wavepacket initially possessing the correct O-O exchange symmetry is propagated over tens of thousands of recursive steps using a basis which does not explicitly enforce the correct symmetry, and if so how seriously this affects the results. We find that symmetry contamination does exist where the symmetry constraint is not explicitly enforced in the basis. While it affects individual resonances and the associated peak amplitudes, the overall shape of the more averaged quantities such as total reaction probabilities and vibrational branching ratios are not seriously affected. (C) 2004 Elsevier B.V. All rights reserved.

On the microscopic mechanism of carbon gasification: A theoretical study

In this paper we report the results of ab initio calculations on the energetics and kinetics of oxygen-driven carbon gasification reactions using a small model cluster, with full characterisation of the stationary points on the reaction paths. We show that previously unconsidered pathways present significantly reduced barriers to reaction and must be considered as alternative viable paths. At least two electronic spin states of the model cluster must be considered for a complete description. (C) 2004 Elsevier Ltd. All rights reserved.

Photodissociation of benzene under collision-free conditions: An ab initio/Rice-Ramsperger-Kassel-Marcus study

The ab initio/Rice-Ramsperger-Kassel-Marcus (RRKM) approach has been applied to investigate the photodissociation mechanism of benzene at various wavelengths upon absorption of one or two UV photons followed by internal conversion into the ground electronic state. Reaction pathways leading to various decomposition products have been mapped out at the G2M level and then the RRKM and microcanonical variational transition state theories have been applied to compute rate constants for individual reaction steps. Relative product yields (branching ratios) for C6H5+H, C6H4+H-2, C4H4+C2H2, C4H2+C2H4, C3H3+C3H3, C5H3+CH3, and C4H3+C2H3 have been calculated subsequently using both numerical integration of kinetic master equations and the steady-state approach. The results show that upon absorption of a 248 nm photon dissociation is too slow to be observable in molecular beam experiments. In photodissociation at 193 nm, the dominant dissociation channel is H atom elimination (99.6%) and the minor reaction channel is H-2 elimination, with the branching ratio of only 0.4%. The calculated lifetime of benzene at 193 nm is about 11 mus, in excellent agreement with the experimental value of 10 mus. At 157 nm, the H loss remains the dominant channel but its branching ratio decreases to 97.5%, while that for H-2 elimination increases to 2.1%. The other channels leading to C3H3+C3H3, C5H3+CH3, C4H4+C2H2, and C4H3+C2H3 play insignificant role but might be observed. For photodissociation upon absorption of two UV photons occurring through the neutral hot benzene mechanism excluding dissociative ionization, we predict that the C6H5+H channel should be less dominant, while the contribution of C6H4+H-2 and the C3H3+C3H3, CH3+C5H3, and C4H3+C2H3 radical channels should significantly increase. (C) 2004 American Institute of Physics.

Full S matrix calculation via a single real-symmetric Lanczos recursion: The Lanczos artificial boundary inhomogeneity method

We present an efficient and robust method for the calculation of all S matrix elements (elastic, inelastic, and reactive) over an arbitrary energy range from a single real-symmetric Lanczos recursion. Our new method transforms the fundamental equations associated with Light's artificial boundary inhomogeneity approach [J. Chem. Phys. 102, 3262 (1995)] from the primary representation (original grid or basis representation of the Hamiltonian or its function) into a single tridiagonal Lanczos representation, thereby affording an iterative version of the original algorithm with greatly superior scaling properties. The method has important advantages over existing iterative quantum dynamical scattering methods: (a) the numerically intensive matrix propagation proceeds with real symmetric algebra, which is inherently more stable than its complex symmetric counterpart; (b) no complex absorbing potential or real damping operator is required, saving much of the exterior grid space which is commonly needed to support these operators and also removing the associated parameter dependence. Test calculations are presented for the collinear H+H-2 reaction, revealing excellent performance characteristics. (C) 2004 American Institute of Physics.

Recent developments in the quantum dynamical characterization of unimolecular resonances

We give a selective review of quantum mechanical methods for calculating and characterizing resonances in small molecular systems, with an emphasis on recent progress in Chebyshev and Lanczos iterative methods. Two archetypal molecular systems are discussed: isolated resonances in HCO, which exhibit regular mode and state specificity, and overlapping resonances in strongly bound HO2, which exhibit irregular and chaotic behavior. Recent progresses for non-zero total angular momentum J calculations of resonances including parallel computing models are also included and future directions in this field are discussed.

Transition-state-theory calculations for reactions of O(3P) with halogenated olefins

The potential energy surfaces for the reactions of atomic oxygen in its ground electronic state, O(P-3), with the olefins: CF2=CCl2 and CF2=CF - CF3, have been characterized using ab initio molecular orbital calculations. Geometry optimization and vibrational frequency calculations were performed for reactants, transition states and products at the MP2 and QCISD levels of theory using the 6-31G(d) basis set. This database was then used to calculate the rate constants by means of Transition-State-Theory. To obtain a better reference and to test the reliability of the activation barriers we have also carried out computations using the CCSD(T)(fc)/6-311Gdagger, MP4(SDQ)(fc)/CBSB4 and MP2(fc)/CBSB3 single point energy calculations at both of the above levels of theory, as well as with the composite CBS-RAD procedure ( P. M. Mayer, C. J. Parkinson, D. M. Smith and L. Radom, J. Chem. Phys., 1998, 108, 604) and a modi. cation of this approach, called: CBS-RAD( MP2, MP2). It was found that the kinetic parameters obtained in this work particularly with the CBS-RAD ( MP2, MP2) procedure are in reasonable agreement with the experimental values. For both reactions it is found that the channels leading to the olefin double-bond addition predominates with respect to any other reaction pathway. However, on account of the different substituents in the alkenes we have located, at all levels of theory, two transition states for each reaction. Moreover, we have found that, for the reactions studied, a correlation exists between the activation energies and the electronic structure of the transition states which can explain the influence of the substituent effect on the reactivity of the halo-olefins.

Dynamic assessment of articulation during lingual fatigue in myasthenia gravis

The present study aimed to investigate how induced lingual fatigue affected lingual strength, articulatory kinematics, and perceptual speech features in CS, a 51-year-old female with active myasthenia gravis (MG), and three age and gender matched control participants, Lingual fatigue was elicited via a series of endurance tasks using a tongue pressure bulb. Following each endurance task, the participants performed a speech task containing the phonemes /k/, /t/, and /j/ that was recorded with an electromagnetic articulograph, followed by a lingual strength assessment using a tongue pressure bulb. Participants repeated this schedule over five phases and kinematic and strength changes during each phase were compared to baseline measurements. All of CSs significant kinematic changes occurred during the final fatigue phase compared to 27.3% of the control group's kinematic changes occurring during this phase, suggesting the kinematic changes associated with fatigue were not accelerated in CS. The endurance tasks also elicited different kinematic effects for CSs anterior and posterior tongue segments. While CS exhibited mostly similar kinematic and perceptual changes to the control group, some of CS's perceptual transcriptions for /k/ and kinematic changes were not replicated, indicating that some different perceptual and physiological consequences to CS's speech were elicited by the endurance tasks.

Microbial diversity within the water column of a larval rearing system for the ornate rock lobster (Panulirus ornatus)

The ornate tropical rock lobster, Panulirus ornatus has substantial potential as an aquaculture species though disease outbreaks during the animal's extended larval lifecycle are major constraints for success. In order to effectively address such disease-related issues, an improved understanding of the composition and dynamics of the microbial communities in the larval rearing tanks is required. This study used flow cytometry and molecular microbial techniques (clone libraries and denaturing gradient gel electrophoresis (DGGE)) to quantify and characterise the microbial community of the water column in the early stages (developmental stage I-II) of a P. ornatus larval rearing system. DGGE analysis of a 5000 L larval rearing trial demonstrated a dynamic microbial community with distinct changes in the community structure after initial stocking (day I to day 2) and from day 4 to day 5, after which the structure was relatively stable. Flow cytometry analysis of water samples taken over the duration of the trial demonstrated a major increase in bacterial load leading up to and peaking on the first day of the initial larval moult (day 7), before markedly decreasing prior to when > 50% of larvae moulted (day 9). A clone library of a day 10 water sample taken following a mass larval mortality event reflected high microbial diversity confirmed by statistical analysis indices. Sequences retrieved from both clone library and DGGE analyses were dominated by gamma- and alpha-Proteobacteria affiliated organisms with additional sequences affiliated with beta- and epsilon-Proteobacteria, Bacteroidetes, Cytophagales and Chlamydiales groups. Vibrio affiliated species were commonly retrieved in the clone library, though absent from DGGE analysis.

Parthenium weed: a potential major weed for agro-ecosystems in Pakistan

Parthenium weed (Parthenium hysterophorus L.) is a new and potentially major weed in Pakistan. This weed, originating from central America, is now a major weed in many regions of the world including Eastern Africa, India, parts of South East Asia and Australia. Presumably its recent arrival in Pakistan has been due to its movement from India, but this has yet to be established. In Australia it has been present for about 50 years, in which time it has spread from isolated infestations to establish core populations in central Queensland with scattered and isolated plants occurring south into New South Wales and north-west into the Northern Territory. Its spread in Pakistan is likely to be much more rapid, but lessons learnt in Australia will be of great value for weed managers in Pakistan. This annual herb has the potential to spread to all medium rainfall rangeland, dairy and summer cropping areas in Pakistan. In Australia its main effect is upon livestock production, but it is also causing health concerns in regional communities. However, in India it has also had a significant impact in cropping systems. To help coordinate actions on its management in Australia, a National Weeds Program has created a Parthenium Weed Management Group (PWMG) and under this group a Parthenium Weed Research Group (PWRG) has been formed. Funding coming from this national program and other sources has supported the PWRG to undertake a collaborative and technology exchange research program in two main areas: 1) biology and ecology and 2) management; while the PWMG has focused on community awareness and the production of various extension and management packages. Research in the area of biology and ecology has included studies on the evaluation of competitive plants to displace parthenium weed, the use of process-based simulation models to monitor and predict future spread and abundance under present and future climate conditions, the effect of the weed on human health and the ecology of its seed bank. Management research has focussed on the development of biological control approaches using plant-feeding insects and pathogens. The effectiveness of biological control is also being monitored through long term studies on seed bank size and dynamics. The use of fire as another potential management tool is also being evaluated. In addition to this important research, an effort has also been made to spread the most important findings and management outcomes to the wider community through an extension and education program driven by the PWMG. These developments within Australia, in parthenium weed management, will be of great help to P

CONSIDERAÇÕES ACERCA DA AUSÊNCIA PATERNA NA ADOLESCÊNCIA

O presente estudo teve por objetivos: a) Caracterizar uma amostra de adolescentes participantes de projetos sociais de uma Instituição de uma cidade do litoral paulista; b) Investigar aspectos da estrutura e dinâmica de adolescentes oriundos de famílias monoparentais, convencionais e de outras configurações familiares e, c) Compreender as relações estabelecidas com as figuras parentais por esses adolescentes pertencentes à essas diferentes organizações familiares.Para isso foi realizado inicialmente uma caracterização do perfil desses adolescentes e, posteriormente estudado seis casos de adolescentes de 12 a 18 anos participantes de Projetos Sociais do Terceiro Setor(Ong) pertencentes a diferentes formas de organizações familiares. Esses adolescentes freqüentavam a Instituição, local onde foram coletados os dados. Foram utilizados como instrumentos a entrevista semi-estruturada e o Teste de Apercepção Temática. De modo geral, os resultados mostraram que os adolescentes de famílias convencionais, ou seja, que possuem o pai e mãe no seio familiar conseguiram introjetar a imago paterna de forma mais integrada e, transitam pela adolescência de maneira mais estável. O esforço frente à elaboração dos lutos é vivenciado condizendo com a dita Síndrome da Adolescência Normal . Já os jovens pertencentes a famílias em que o pai não se faz presente no seio familiar, as defesas e as angustias apresentam-se condizentes aos estágios mais primitivos do desenvolvimento. Conclui-se que são necessários mais estudos frente a esta demanda para que o trabalho preventivo possa criar condições de um bom desenvolvimento psíquico para que este jovem passe pela adolescência e, chegue à vida adulta de maneira integrada.

CONSIDERAÇÕES ACERCA DA AUSÊNCIA PATERNA NA ADOLESCÊNCIA

O presente estudo teve por objetivos: a) Caracterizar uma amostra de adolescentes participantes de projetos sociais de uma Instituição de uma cidade do litoral paulista; b) Investigar aspectos da estrutura e dinâmica de adolescentes oriundos de famílias monoparentais, convencionais e de outras configurações familiares e, c) Compreender as relações estabelecidas com as figuras parentais por esses adolescentes pertencentes à essas diferentes organizações familiares.Para isso foi realizado inicialmente uma caracterização do perfil desses adolescentes e, posteriormente estudado seis casos de adolescentes de 12 a 18 anos participantes de Projetos Sociais do Terceiro Setor(Ong) pertencentes a diferentes formas de organizações familiares. Esses adolescentes freqüentavam a Instituição, local onde foram coletados os dados. Foram utilizados como instrumentos a entrevista semi-estruturada e o Teste de Apercepção Temática. De modo geral, os resultados mostraram que os adolescentes de famílias convencionais, ou seja, que possuem o pai e mãe no seio familiar conseguiram introjetar a imago paterna de forma mais integrada e, transitam pela adolescência de maneira mais estável. O esforço frente à elaboração dos lutos é vivenciado condizendo com a dita Síndrome da Adolescência Normal . Já os jovens pertencentes a famílias em que o pai não se faz presente no seio familiar, as defesas e as angustias apresentam-se condizentes aos estágios mais primitivos do desenvolvimento. Conclui-se que são necessários mais estudos frente a esta demanda para que o trabalho preventivo possa criar condições de um bom desenvolvimento psíquico para que este jovem passe pela adolescência e, chegue à vida adulta de maneira integrada.

ESTRUTURA E DINÂMICA DO FUNCIONAMENTO PSÍQUICO DE MULHERES ENVOLVIDAS EM VIOLÊNCIA CONJUGAL REITERADA

Apesar das campanhas de combate à violência de gênero e a legislação elaborada para promover o aumento da segurança de mulheres envolvidas pelo fenômeno, trabalhos realizados demonstram que muitas mulheres agredidas por seus companheiros, mesmo após tentativa de separação, retornam a conviver com os agressores. Com base nessas informações, o objetivo desta pesquisa foi estudar a estrutura e a dinâmica do funcionamento psíquico de cinco mulheres envolvidas em violência conjugal reiterada. Trata-se de um estudo clínico-qualitativo, cujas participantes foram selecionadas por conveniência e fazem parte de um grupo de mulheres vítimas de violência conjugal, atendidas por uma organização não governamental, com processos em trâmite numa Vara Criminal da Grande São Paulo. Utilizou-se como instrumentos de investigação um Roteiro de Entrevista semiestruturado; a Escala da Associação Brasileira de Institutos de Pesquisa de Mercado (ABIPEME); e o Teste de Relações Objetais de Phillipson (TRO). Os resultados apontam que as participantes apresentam ego fragilizado, pouco integrado e superego rígido, pouco indistinguível de seus impulsos destrutivos e de seus perseguidores internos, resultado de introjeções e deflexões para o exterior carentes. Essa dinâmica mental se desenvolveu a partir de processos primários de cisão muito violentos, com predominância de impulsos destrutivos e da pulsão de morte sobre a pulsão de vida. Ademais, percebeu-se que as participantes se mantém predominantemente na fase esquizo-paranóide do desenvolvimento, sem conseguir alcançar de forma adequada a posição depressiva de reparação, assim, elas utilizam de mecanismos primitivos de defesa para manterem o equilíbrio psíquico como: a identificação projetiva, a negação, a idealização e a paralização. Espera-se que os resultados desta pesquisa possam auxiliam na elaboração de propostas de atendimento a mulheres em situação de violência conjugal reiterada.