Calculation of Franck-Condon factors including anharmonicity: simulation of the C2 H4+ X̃2B 3u←C2 H4X̃1 Ag band in the photoelectron spectrum of ethylene

Our new simple method for calculating accurate Franck-Condon factors including nondiagonal (i.e., mode-mode) anharmonic coupling is used to simulate the C2H4+X2B 3u←C2H4X̃1 Ag band in the photoelectron spectrum. An improved vibrational basis set truncation algorithm, which permits very efficient computations, is employed. Because the torsional mode is highly anharmonic it is separated from the other modes and treated exactly. All other modes are treated through the second-order perturbation theory. The perturbation-theory corrections are significant and lead to a good agreement with experiment, although the separability assumption for torsion causes the C2 D4 results to be not as good as those for C2 H4. A variational formulation to overcome this circumstance, and deal with large anharmonicities in general, is suggested

A atitude dos alunos face à inclusão dos seus pares com deficiência

RESUMO: A escola actual encontra-se perante o desafio de responder com afectividade às necessidades educativas especiais de uma população cada vez mais heterogénea, onde se adopte um modelo de atendimento adequado a cada um. Neste contexto, consideramos os alunos, os professores e os encarregados de educação elementos chave de todo o processo, sobre os quais recaem responsabilidades acrescidas na concretização da filosofia inclusiva. O presente estudo tem como objectivo averiguar a atitude dos alunos face à inclusão dos seus pares com deficiência, determinando o modo como estes percepcionam as atitudes dos professores e dos pais face à inclusão de alunos com NEE de carácter permanente, vantagens e desvantagens da inclusão de alunos com NEE de carácter permanente e a cooperação entre alunos com e sem deficiência, tendo em conta a tipologia da deficiência (motora e mental). No caso do nosso estudo, contámos com a participação de 520 alunos (N= 270 género feminino e N=250 do género masculino), uma amostra distribuída pelo 2ºciclo, 3º ciclo e secundário dos distritos de Setúbal e Lisboa. A recolha de dados concretizou-se pela aplicação do AID – EF, questionário da autoria de Ramos Leitão, 2011.Esta metodologia de recolha e tratamento de informação permitiu-nos concluir que, na opinião dos alunos ditos normais a atitude dos professores face à inclusão de alunos com NEE de carácter permanente (dimensão d1), não varia em função da tipologia da deficiência (deficiência motora e mental). Da mesma forma, não foram encontradas diferenças significativas entre os dois grupos (deficiência motora e mental), na opinião dos alunos ditos normais, no que respeita às vantagens da inclusão dos alunos com NEE de carácter permanente (dimensão d2). Na opinião dos alunos ditos normais os resultados demonstraram que a cooperação entre alunos com e sem deficiência (dimensão d3), varia em função da tipologia da deficiência (deficiência motora e mental), apontando esses resultados para uma maior cooperação entre os alunos ditos normais e os seus pares com deficiência mental. Não foram igualmente encontradas diferenças significativas no que respeita às desvantagens da inclusão dos alunos com NEE de carácter permanente (dimensão 4), quando temos em consideração a tipologia da deficiência (deficiência motora e mental). Da mesma forma, na opinião dos alunos normais ditos normais a atitude dos pais face à inclusão de alunos com NEE de carácter permanente (dimensão d5) não variam em função da tipologia da deficiência (deficiência motora e mental).ABSTRACT: Currently the school is faced with the challenge of responding affectionately to the special educational needs of an increasingly heterogeneous population, where a standard model is adopted for each individual. In this context, we consider the students, teachers and guardians, key elements in the whole process, over which fall increased responsibilities in the implementation of the inclusive philosophy. The present study aims to determine the attitude of students towards the inclusion of peers with disabilities, determining how they perceive the attitudes of teachers and parents towards the inclusion of pupils with permanent special education needs, advantages and disadvantages of including students with permanent special education needs and the cooperation between students with and without disabilities, taking into account the type of disability (mental and motor). In the case of our study, we had the participation of 520 students (N = 270 N = female and 250 male), a sample distributed to the 2nd cycle, 3rd cycle and Secondary schools in the districts of Setúbal and Lisbon. The data collected was enabled by the application of the IDA - EF, questionnaire by Ramos Leitão, 2011. This methodology of collecting and processing information allowed us to conclude that, in the opinion of the so-called normal students the teachers´ attitude towards the inclusion of pupils with permanent special education needs (dimension d1) does not vary according to the type of disability (motor and mental). Likewise, no significant differences were found between the two groups (mental and motor), in the opinion of the so-called normal students, with regard to the benefits of the inclusion of pupils with permanent special education needs (dimension d2). In the opinion of the so-called normal students, the results demonstrated that the cooperation between students with and without disabilities (dimension d3), vary depending on the type of disability (mental and motor), these results pointing to a greater cooperation between the so-called normal students and their peers with mental disabilities. There were also no significant differences with respect to the disadvantages of inclusion of pupils with permanent special education needs (dimension d4), when we take into account the type of disability (mental and motor). Similarly, in the opinion of the so-called normal students, the parents´ attitude towards the inclusion of pupils with permanent special education needs (dimension d5) does not vary according to the type of disability (mental and motor).

Interactions between mass balance, atmospheric circulation, and recent climate change on the Djankuat Glacier, Caucasus Mountains, Russia

This paper reports recent changes in the mass balance record from the Djankuat Glacier, central greater Caucasus, Russia, and investigates possible relationships between the components of mass balance, local climate, and distant atmospheric forcing. The results clearly show that a strong warming signal has emerged in the central greater Caucasus, particularly since the 1993/1994 mass balance year, and this has led to a significant increase in the summer ablation of Djankuat. At the same time, there has been no compensating consistent increase in winter precipitation and accumulation leading to the strong net loss of mass and increase in glacier runoff. Interannual variability in ablation and accumulation is partly associated with certain major patterns of Northern Hemisphere climatic variability. The positive phase of the North Pacific (NP) teleconnection pattern forces negative geopotential height and temperature anomalies over the Caucasus in summer and results in reduced summer melt, such as in the early 1990s, when positive NP extremes resulted in a temporary decline in ablation rates. The positive phase of the NP is related to El Nino-Southern Oscillation, and it is possible that a teleconnection between the tropical Pacific sea surface temperatures and summer air temperatures in the Caucasus is bridged through the NP pattern. More recently, the NP pattern was predominantly negative, and this distant moderating forcing on summer ablation in the Caucasus was absent. Statistically significant correlations are observed between accumulation and the Scandinavian (SCA) teleconnection pattern. The frequent occurrence of the positive SCA phase at the beginning of accumulation season results in lower than average snowfall and reduced accumulation. The relationship between the North Atlantic Oscillation (NAO), Arctic Oscillation, and accumulation is weak, although positive precipitation anomalies in the winter months are associated with the negative phase of the NAO. A stronger positive correlation is observed between accumulation on Djankuat and geopotential height over the Bay of Biscay unrelated to the established modes of the Northern Hemisphere climatic variability. These results imply that the mass balance of Djankuat is sensitive to the natural variability in the climate system. Distant forcing, however, explains only 16% of the variance in the ablation record and cannot fully explain the recent increase in ablation and negative mass balance.

Microwave spectra and centrifugal distortion constants of oxetane

The microwave spectra of oxetane (trimethylene oxide) and its three symmetrically deuterated isotopic species have been observed on a Hewlett-Packard microwave spectrometer from 26.5 to 40 GHz. For the parent species, the β-d2 and the αα′-d4 species, about 300 lines have been assigned for each molecule, and for the d6 species more than 600 lines have been assigned. The assignments range from v = 0 to v = 5 in the puckering vibration; although they are mostly Q transitions, either 3 or 4 R transitions have been observed for each vibrational state. The spectra have been interpreted using an effective rotational hamiltonian for each vibrational state, including five quartic distortion constants according to Watson's formulation, and a variable number of sextic distortion constants; in general, the lines are fitted to about ± 10 kHz. The distortion constants show an anomalous zig-zag dependence on the puckering vibrational quantum number, similar to that first observed for the rotational constants by Gwinn and coworkers. This is interpreted according to a simple modification of the standard theory of centrifugal distortion, involving the double minimum potential function in the puckering coordinate.

The calculation of force constants and normal co-ordinates--VII Normal co-ordinates in the E species of allene

Force constant and normal co-ordinate calculations are reported for the E species vibrations of the allene molecule. Data on the fundamental vibration frequencies of allene-h4, allene-d4 and allene-1.1-d2 and on the five experimentally determined Coriolis zeta constants of C3H4 and C3D4, were used in a force constant refinement procedure. Allowing for product and sum rules this gives 21 independent data which were used to refine to the most general harmonic force field (10 parameters) with one constraint (in the absence of any constraints the refinement was not satisfactory). The results have been used to calculate the complete ζz Coriolis interaction matrix for the allene-1.1-d2 molecule, and hence to calculate the expected rotational structure of the perpendicular bending vibrations of this molecule; the good agreement obtained with the observed spectra is a check on our results.

Use of fibrolytic enzymes to improve the nutritive value of ruminant diets - A biochemical and in vitro rumen degradation assessment

Two commercial enzyme products, Depol 40 (D) and Liquicell 2500 (L), were characterised from a biochemical standpoint and their potential to improve rumen degradation of forages was evaluated in vitro. Enzyme activities were determined at pH 5.5 and 39 degreesC. Analysis of the enzyme activities indicated that L contained higher xylanase and endoglucanase, but lower exoglucanase, pectinase and alpha-amylase activities than D. The Reading Pressure Technique (RPT) was used to investigate the effect of enzyme addition on the in vitro gas production (GP) and organic matter degradation (OMD) of alfalfa (Medicago sativa L.) stems and leaves. A completely randomised design with factorial arrangement of treatments was used. Both alfalfa fractions were untreated or treated with each enzyme at four levels, 20 h before incubation with rumen fluid. Each level of enzyme provided similar amounts of filter paper (D1, L1), endoglucanase (D2, L2), alpha-L-arabinofuranosidase (D3, L3) and xylanase units (D4, L4) per gram forage DM. Enzymes increased the initial OMD in both fractions, with improvements of up to 15% in leaves (D4) and 8% in stems (L2) after 12 h incubation. All enzyme treatments increased the extent of degradation (96 h incubation) in the leaf fractions, but only L2 increased final OMD in the stems. Direct hydrolysis of forage fractions during the pre-treatment period did not fully account for the magnitude of the increases in OMD, suggesting that the increase in rate of degradation was achieved through a combined effect of direct enzyme hydrolysis and synergistic action between the exogenous (applied) and endogenous (rumen) enzymes. (C) 2003 Elsevier Science B.V. All rights reserved.

A mechanistic study of cyclic siloxane pyrolyses at low pressures

Matrix isolation IR spectroscopy has been used to study the vacuum pyrolysis of hexamethylcyclotrisiloxane (D3), octamethylcyclotetrasiloxane (D4) and decamethyl cyclopentasiloxane (D5), and the results interpreted in the context of various kinetic models. In particular, it is shown that the significant pyrolysis products - which include CH3, CH4, C2H2, C2H4, C2H6 and SiO - may be satisfactorily accounted for by radical reactions involving dimethylsiloxane (D1), and estimates are made of the various chain lengths for the proposed reactions based on a range of ambient conditions.

Myostatin regulates cardiomyocyte growth through modulation of Akt signaling

Myostatin is a highly conserved, potent negative regulator of skeletal muscle hypertrophy in many species, from rodents to humans, although its mechanisms of action are incompletely understood. Transcript profiling of hearts from a genetic model of cardiac hypertrophy revealed dramatic upregulation of myostatin, not previously recognized to play a role in the heart. Here we show that myostatin abrogates the cardiomyocyte growth response to phenylephrine in vitro through inhibition of p38 and the serine - threonine kinase Akt, a critical determinant of cell size in many species from drosophila to mammals. Evaluation of male myostatin-null mice revealed that their cardiomyocytes and hearts overall were slightly smaller at baseline than littermate controls but exhibited more exuberant growth in response to chronic phenylephrine infusion. The increased cardiac growth in myostatin-null mice corresponded with increased p38 phosphorylation and Akt activation in vivo after phenylephrine treatment. Together, these data demonstrate that myostatin is dynamically regulated in the heart and acts more broadly than previously appreciated to regulate growth of multiple types of striated muscle.

Polymorphisms in dopamine system genes are associated with individual differences in attention in infancy

Knowledge about the functional status of the frontal cortex in infancy is limited. This study investigated the effects of polymorphisms in four dopamine system genes on performance in a task developed to assess such functioning, the Freeze-Frame task, at 9 months of age. Polymorphisms in the catechol-O-methyltransferase (COMT) and the dopamine D4 receptor (DRD4) genes are likely to impact directly on the functioning of the frontal cortex, whereas polymorphisms in the dopamine D2 receptor (DRD2) and dopamine transporter (DAT1) genes might influence frontal cortex functioning indirectly via strong frontostriatal connections. A significant effect of the COMT valine158methionine (Val158Met) polymorphism was found. Infants with the Met/Met genotype were significantly less distractible than infants with the Val/Val genotype in Freeze-Frame trials presenting an engaging central stimulus. In addition, there was an interaction with the DAT1 3′ variable number of tandem repeats polymorphism; the COMT effect was present only in infants who did not have two copies of the DAT1 10-repeat allele. These findings indicate that dopaminergic polymorphisms affect selective aspects of attention as early as infancy and further validate the Freeze-Frame task as a frontal cortex task.

Why is the global warming proceeding much slower than expected?

Upper air observations from radiosondes and microwave satellite instruments does not indicate any global warming during the last 19 years, contrary to surface measurements, where a warming trend is supposedly being found. This result is somewhat difficult to reconcile, since climate model experiments do indicate a reverse trend, namely, that upper tropospheric air should warm faster than the surface. To contribute toward an understanding of this difficulty, we have here undertaken some specific experiments to study the effect on climate due to the decrease in stratospheric ozone and the Mount Pinatubo eruption in 1991. The associated forcing was added to the forcing from greenhouse gases, sulfate aerosols (direct and indirect effect), and tropospheric ozone, which was investigated in a separate series of experiments. Furthermore, we have undertaken an ensemble study in order to explore the natural variability of an advanced climate model exposed to such a forcing over 19 years. The result shows that the reduction of stratospheric ozone cools not only the lower stratosphere but also the troposphere, in particular, the upper and middle part. In the upper troposphere the cooling from stratospheric ozone leads to a significant reduction of greenhouse warming. The modeled stratospheric aerosols from Mount Pinatubo generate a climate response (stratospheric warming and tropospheric cooling) in good agreement with microwave satellite measurements. Finally, analysis of a series of experiments with both stratospheric ozone and the Mount Pinatubo effect shows considerable variability in climate response, suggesting that an evolution having no warming in the period is as likely as another evolution showing modest warming. However, the observed trend of no warming in the midtroposphere and clear warming at the surface is not found in the model simulations.

Impact of global warming on the Asian winter monsoon in a coupled GCM

The Asian winter monsoon (AWM) response to the global warming was investigated through a long-term integration of the transient greenhouse warming with the ECHAM4/OPYC3 CGCM. The physics of the response was studied through analyses of the impact of the global warming on the variations of the ocean and land contrast near the ground in the Asian and western Pacific region and the east Asian trough and jet stream in the middle and upper troposphere. Forcing of transient eddy activity on the zonal circulation over the Asian and western Pacific region was also analyzed. It is found that in the global warming scenario the winter northeasterlies along the Pacific coast of the Eurasian continent weaken systematically and significantly, and intensity of the AWM reduces evidently, but the AWM variances on the interannual and interdecadal scales are not affected much by the global warming. It is suggested that the global warming makes the climate over the most part of Asia to be milder with enhanced moisture in winter. In the global warming scenario the contrasts of the sea level pressure and the near-surface temperature between the Asian continent and the Pacific Ocean become significantly smaller, northward and eastward shifts and weakening of the east Asian trough and jet stream in the middle and upper troposphere are found. As a consequence, the cold air in the AWM originating from the east Asian trough and high latitudes is less powerful. In addition, feedback of the transient activity also makes a considerable contribution to the higher-latitude shift of the jet stream over the North Pacific in the global warming scenario.

Characterization of the optical properties of atmospheric aerosols in Amazonia from long-term AERONET monitoring (1993-1995 and 1999-2006)

We present a new climatology of atmospheric aerosols (primarily pyrogenic and biogenic) for the Brazilian tropics on the basis of a high-quality data set of spectral aerosol optical depth and directional sky radiance measurements from Aerosol Robotic Network (AERONET) Cimel Sun-sky radiometers at more than 15 sites distributed across the Amazon basin and adjacent Cerrado region. This network is the only long-term project (with a record including observations from more than 11 years at some locations) ever to have provided ground-based remotely-sensed column aerosol properties for this critical region. Distinctive features of the Amazonian area aerosol are presented by partitioning the region into three aerosol regimes: southern Amazonian forest, Cerrado, and northern Amazonian forest. The monitoring sites generally include measurements from the interval 1999-2006, but some sites have measurement records that date back to the initial days of the AERONET program in 1993. Seasonal time series of aerosol optical depth (AOD), angstrom ngstrom exponent, and columnar-averaged microphysical properties of the aerosol derived from sky radiance inversion techniques (single-scattering albedo, volume size distribution, fine mode fraction of AOD, etc.) are described and contrasted for the defined regions. During the wet season, occurrences of mineral dust penetrating deep into the interior were observed.

Avaliação da qualidade de vida dos funcionários do cartório do 1º Ofício da cidade de Diamantino-MT através do questionário SF-36

O objetivo desta pesquisa foi analisar a qualidade de vida dos funcionários do Cartório de 1º Ofício da cidade de Diamantino, em Mato Grosso. Foi utilizada a versão brasileira do Short Form-36 (SF-36) em dez funcionários do Cartório de 1º Ofício, que colaboraram voluntariamente para a coleta da análise dos dados do questionário. O estudo obteve a análise dos oito domínios do escore do SF-36, onde pôde ser observado que o primeiro domínio, relativo à capacidade funcional, foi aquele que apresentou o maior escore, enquanto os demais domínios (D2, D3, D4, D5, D6, D7 e D8), respectivamente relacionados à saúde mental, também estão acima da metade do valor máximo esperado no escore do SF-36. O questionário SF-36 foi um instrumento adequado, de aplicação relativamente rápida e de fácil uso para a avaliação da qualidade de vida dos funcionários do Cartório de 1º Ofício, pois, na amostra estudada, os oito domínios apresentaram resultado médio entre 51,9 (menor escore = domínio 4) e 71,8 (maior escore = domínio 1).

Produção e qualidade da alface hidropônica cultivada com adição de substâncias húmicas

Este trabalho, em casa de vegetação, com a alface (Lactuca sativa) Maravilha de Verão, foi realizado na Universidade Federal do Rio Grande do Sul, para avaliar o efeito de substâncias húmicas produzidas pelo LAGEAMB (Laboratório de Geoquímica Ambiental), Escola de Engenharia – UFRGS, onde as plantas se desenvolveram em vasos com areia e foram irrigadas com diferentes quantidades de substâncias húmicas adicionadas a uma solução nutritiva completa. Num delineamento experimental inteiramente casualizado com um arranjo do tipo fatorial 8 x 4 foram testadas 8 substâncias húmicas (PT1, PT2, PT3, PT4, PT5, PT6, PT7 e PT8) e quatro doses de substâncias húmicas (D1= 0 mg.L-1, D2 =15 mg.L-1, D3 = 30 mg.L-1 e D4 = 45 mg.L-1), com três repetições por tratamento para avaliar o efeito das doses e das substâncias húmicas sobre: as produções de matéria verde e seca da parte aérea e seca das raízes, os teores de nitrogênio, fósforo, potássio, cálcio, magnésio, enxofre e sódio, as concentrações dos micronutrientes cobre, ferro, zinco e manganês e sobre as concentrações dos contaminantes inorgânicos níquel, cromo, cádmio, chumbo e mercúrio, tanto na parte aérea quanto nas raízes Para todas as variáveis a análise estatística mostrou significância para o efeito das doses de substâncias húmicas utilizadas e os resultados demonstraram que as substâncias húmicas aumentaram as produções de matéria verde e seca da parte aérea e seca das raízes e os teores de nitrogênio, fósforo, potássio, cálcio, magnésio, enxofre e sódio e as concentrações dos micronutrientes cobre, ferro, zinco e manganês. A adição de substâncias húmicas diminui a concentração dos contaminantes níquel, cromo, cádmio, chumbo e mercúrio na matéria seca dos tecidos da parte aérea e das raízes da alface.

Polimorfismos nos genes DAT1 DRD4 e transtorno de déficits de atenção e hiperatividade (TDAH) em adultos

O transtorno de déficit de atenção e hiperatividade (TDAH) é um dos problemas psiquiátricos mais comuns na infância, o qual apresenta uma herdabilidade significativa e se caracteriza pela presença de desatenção, hiperatividade e impulsividade. Cerca da metade das crianças com TDAH permanecem com o transtorno durante a vida adulta. Embora os estudos em amostras de crianças tenham explorado diversos genes de suscetibilidade ao TDAH, os resultados são inconclusivos e há poucos estudos em adultos. A amostra aqui estudada é composta por 308 adultos portadores de TDAH e 233 doadores de sangue do Hemocentro do Rio Grande do Sul.Ambos os grupos são compostos por brasileiros descendentes de europeus. Os diagnósticos psiquiátricos foram realizados por uma equipe treinada, seguindo os critérios do DSM-IV. Este trabalho objetivou testar possíveis associações entre polimorfismos nos genes do receptor D4 de dopamina (DRD4) e da proteína transportadora de dopamina (DAT1) com o TDAH, tendo em conta os subtipos, gravidade, comorbidades e idade de início dos sintomas de TDAH. Não foi encontrada associação entre os dois polimorfismos estudados no gene DRD4 (duplicação de 120 pares de base da região 5’ e VNTR de 48 pares de base do éxon III) e o TDAH. Porém, o alelo de 7-repetições do éxon III mostrou-se associado a uma menor idade de início dos sintomas e com o transtorno bipolar do humor associado ao TDAH. Genótipos contendo o alelo de 9-repetições do VNTR de 40pb na região 3’ não traduzida do gene DAT1 predisporiam ao subtipo desatento de TDAH entre os pacientes do sexo masculino e ao TDAH em geral entre as mulheres. Pacientes com o genótipo homozigoto para o alelo de 10-repetições apresentaram um maior número de sintomas de hiperatividade. Os resultados aqui obtidos apontam para a existência de diferenças substanciais no perfil genético entre as amostras de TDAH em crianças e adultos. As características amostrais relacionadas com o sexo, idade, subtipo e comorbidades mais prevalentes podem modificar a associação entre os polimorfismos estudados e o transtorno.