1000 resultados para Quadratic Configuration-interaction
Resumo:
Multi-environment trials (METs) used to evaluate breeding lines vary in the number of years that they sample. We used a cropping systems model to simulate the target population of environments (TPE) for 6 locations over 108 years for 54 'near-isolines' of sorghum in north-eastern Australia. For a single reference genotype, each of 547 trials was clustered into 1 of 3 'drought environment types' (DETs) based on a seasonal water stress index. Within sequential METs of 2 years duration, the frequencies of these drought patterns often differed substantially from those derived for the entire TPE. This was reflected in variation in the mean yield of the reference genotype. For the TPE and for 2-year METs, restricted maximum likelihood methods were used to estimate components of genotypic and genotype by environment variance. These also varied substantially, although not in direct correlation with frequency of occurrence of different DETs over a 2-year period. Combined analysis over different numbers of seasons demonstrated the expected improvement in the correlation between MET estimates of genotype performance and the overall genotype averages as the number of seasons in the MET was increased.
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In this paper, we present a model accounting for the adsorbate-adsorbate interaction in the adsorbed phase in the description of adsorption of pure vapors on carbonaceous materials. The details of the adsorbate-adsorbate interaction of a particular species are obtained from the analysis of its adsorption data on non-porous carbon black. The predictability of the model is tested against the adsorption isotherm data for benzene, toluene, n-pentane, n-hexane, carbon tetrachloride, methanol and ethanol on microporous activated carbon. It was found that the model prediction for non-polar adsorbates are satisfactory while it under-predicts for polar adsorbates, which is attributed to their additional interaction with functional groups. (C) 2002 Elsevier Science B.V. All rights reserved.
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In order to understand the earthquake nucleation process, we need to understand the effective frictional behavior of faults with complex geometry and fault gouge zones. One important aspect of this is the interaction between the friction law governing the behavior of the fault on the microscopic level and the resulting macroscopic behavior of the fault zone. Numerical simulations offer a possibility to investigate the behavior of faults on many different scales and thus provide a means to gain insight into fault zone dynamics on scales which are not accessible to laboratory experiments. Numerical experiments have been performed to investigate the influence of the geometric configuration of faults with a rate- and state-dependent friction at the particle contacts on the effective frictional behavior of these faults. The numerical experiments are designed to be similar to laboratory experiments by DIETERICH and KILGORE (1994) in which a slide-hold-slide cycle was performed between two blocks of material and the resulting peak friction was plotted vs. holding time. Simulations with a flat fault without a fault gouge have been performed to verify the implementation. These have shown close agreement with comparable laboratory experiments. The simulations performed with a fault containing fault gouge have demonstrated a strong dependence of the critical slip distance D-c on the roughness of the fault surfaces and are in qualitative agreement with laboratory experiments.
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The extracellular loop 3 (ECL3) of the mammalian gonadotropin-releasing hormone receptor (GnRH-R) contains an acidic amino acid (Glu(301) in the mouse GnRH-R,) that confers agonist selectivity for Are in mammalian GnRH. It is proposed that a specific conformation of ECL3 is necessary to orientate the carboxyl side chain of the acidic residue for interaction with Arg(8) of GnRH, which is supported by decreased affinity for Arg(8) GnRH but not Gln(8) GnRH when an adjacent Pro is mutated to Ala. To probe the structural contribution of the loop domain to the proposed presentation of the carboxyl side chain, we synthesized a model peptide (CGPEMLNRVSEPGC) representing residues 293-302 of mouse ECL3, where Cys and Gly residues are added symmetrically at the N and C termini, respectively, allowing the introduction of a disulfide bridge to simulate the distances at which the ECL3 is tethered to the transmembrane domains 6 and 7 of the receptor. The ability of the ECL3 peptide to bind GnRH with low affinity was demonstrated by its inhibition of GnRH stimulation of inositol phosphate production in cells expressing the GnRH-R. The CD bands of the ECL3 peptides exhibited a superposition of predominantly unordered structure and partial contributions from beta-sheet structure. Likewise, the analysis of the amide I and amide III bands from micro-Raman and FT Raman experiments revealed mainly unordered conformations of the cyclic and of the linear peptide. NMR data demonstrated the presence of a beta-hairpin among an ensemble of largely disordered structures in the cyclic peptide. The location of the turn linking the two strands of the hairpin was assigned to the three central residues L-296, N-297, and R-298. A small population of structured species among an ensemble of predominantly random coil conformation suggests that the unliganded receptor represents a variety of structural conformers, some of which have the potential to make contacts with the ligand. We propose a mechanism of receptor activation whereby binding of the agonist to the inactive receptor state induces and stabilizes a particular structural state of the loop domain, leading to further conformational rearrangements across the transmembrane domain and signal propagating interaction with G proteins. Interaction of the Glu(301) of the receptor with Arg(8) of GnRH induces a folded configuration of the ligand. Our proposal thus suggests that conformational changes of both ligand and receptor result from this interaction.
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A long-term experiment was conducted to compare the effects of flowing and still water on growth, and the relationship between water flow and nutrients, in Aponogeton elongatus, a submerged aquatic macrophyte. A. elongatus plants were grown for 23 weeks with three levels of nutrition (0, 0.5 and 1g Osmocote Plus(R) fertiliser pot(-1)) in aquaria containing stirred or unstirred water. Fertilized plants grew much better than non-fertilized. The highest fertilizer level produced 29% wider leaves and 58% higher total dry weight in stirred water. Stirred water increased leaf area by 40% and tuber size by 81%, but only with the highest level of nutrition. These results suggest that this plant depends on its roots for mineral uptake, rather than from the open water, and the major limitation to growth in still water is the supply of dissolved inorganic carbon. It was the combined effects of nutrient availability and stirring that produced the strongest response in plant growth, morphology and composition. This study provides some explanation for the observations of others that these plants grow best in creeks or river systems with permanently flowing water.
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We investigated how the relative direction of limb movements in external space (iso- and non-isodirectionality), muscular constraints (the relative timing of homologous muscle activation) and the egocentric frame of reference (moving simultaneously toward/away the longitudinal axis of the body) contribute to the stability of coordinated movements. In the first experiment, we attempted to determine the respective stability of isodirectional and non-isodirectional movements in between-persons coordination. In a second experiment, we determined the effect of the relative direction in external space, and of muscular constraints, on pattern stability during a within-person bimanual coordination task. In the third experiment we dissociated the effects on pattern stability of the muscular constraints, relative direction and egocentric frame of reference. The results showed that (1) simultaneous activation of homologous muscles resulted in more stable performance than simultaneous activation of non-homologous muscles during within-subject coordination, and that (2) isodirectional movements were more stable than non-isodirectional movements during between-persons coordination, confirming the role of the relative direction of the moving limbs in the stability of bimanual coordination. Moreover, the egocentric constraint was to some extent found distinguishable from the effect of the relative direction of the moving limbs in external space, and from the effect of the relative timing of muscle activation. In summary, the present study showed that relative direction of the moving limbs in external space and muscular constraints may interact either to stabilize or destabilize coordination patterns. (C) 2003 Published by Elsevier B.V.
Resumo:
Chiral resolution of the cobalt cage complexes [Co(diNOsar)](3+) and [Co(diAMsarH(2))](5+) have been achieved by selective crystallization with the anion bis-mu-(R),(R)-tartratodiantimonate(III) ([Sb-2(R,R-tart)(2)](2-)) and also by column chromatography with Na-2[Sb-2(R, R-tart)(2)] as eluent. The X-ray crystal structures of Lambda-[ Co(diNOsar)][Sb-2(R, R-tart)(2)] Cl . 7H(2)O and Delta-[Co(diAMsarH(2))][Sb-2(R, R-tart)(2)](2)Cl . 14H(2)O are reported, which reveal an unexpected reversal of chiral discrimination when the cage substituent is changed from nitro (Lambda-enantiomer) to ammonio (Delta-enantiomer) and shows that the ammonio- substituted cage is capable of forming a three-point hydrogen-bonding interaction with each complex anion, whereas the nitro analogue can only form two hydrogen bonds with each [Sb-2(R, R-tart)(2)](2-) anion. During cation exchange chromatography of the racemic cobalt cage complexes with Na-2[Sb-2(R, R-tart)(2)] as eluent, Lambda-[Co(diNOsar)](3+) elutes first, which implies a tighter ion pairing interaction than for the Delta-enantiomer. On the other hand, Delta-[Co(diAMsarH(2))](5+) elutes first during chromatography under identical conditions, which is also consistent with a preferred outer-sphere complex formed between Delta-[Co(diAMsarH(2))](5+) and [Sb-2(R, R-tart)(2)](2-) relative to Lambda-[Co(diAMsarH(2))](5+) and [Sb-2(R,R-tart)(2)](2-).
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Two protein families that are critical for vesicle transport are the Syntaxin and Munc18/Sec1. families of proteins. These two molecules form a high affinity complex and play an essential role in vesicle docking and fusion. Munc18c was expressed as an N-terminally His-tagged fusion protein from recombinant baculovirus in Sf9 insect cells. His-tagged Munc18c was purified to homogeneity using both cobalt-chelating affinity chromatography and gel filtration chromatography. With this simple two-step protocol, 3.5 mg of purified Munc18c was obtained from a 1 L culture. Further, the N-terminal His-tag could be removed by thrombin cleavage while the tagged protein was bound to metal affinity resin. Recombinant Munc18c produced in this way is functional, in that it forms a stable complex with the SNARE interacting partner, syntaxin4. Thus we have developed a method for producing and purifying large amounts of functional Munc18c-both tagged and detagged-from a baculovirus expression system. We have also developed a method to purify the Munc18c:syntaxin4 complex. These methods will be employed for future functional and structural studies. Crown copyright (C) 2003 Published by Elsevier Inc. All rights reserved.
Resumo:
A hipótese defendida nesta pesquisa se baseia na possibilidade de a arquitetura jesuítica implantada em terras brasileiras (século XVI) dialogar e agenciar, num mesmo corpo edificado, e de modo inter-relacionado, aspectos relativos à morfologia urbana, tipologia e paisagem. Lama explica que, como disciplina, a morfologia urbana agrega para si não somente o ambiente construído, mas os meios pelos quais este foi construído em sua interação com a forma urbana, ou seja, os “fenômenos sociais, econômicos e outros motores da urbanização” (LAMAS, 1992). Entender a forma urbana é entender seus elementos constituintes, “quer em ordem à leitura ou análise do espaço, quer em ordem à sua concepção ou produção” (LAMAS, 1992). Estudar a forma urbana significa compreender o lugar onde se insere a cidade e seus elementos constituintes, seus espaços e a inter-relação entre eles e seu contexto, em um espectro abrangente do que se denomina cidade, e urbano. A tipologia arquitetônica e a morfologia urbana estão interligadas no cerne de suas análises, considerando que ambas, segundo Pereira, estudam “duas ordens de fatos homogêneos” (PEREIRA, 2012); estudam elementos constituintes da cidade – arquitetônicos e espaciais – que se sobrepõem ou se complementam de acordo com a escala de análise utilizada. A arquitetura jesuítica do Brasil colonial modela de modo determinante a construção de distintos núcleos urbanos originários na costa brasileira no século XVI. Isso, por meio da implantação de tipologia edilícia que acompanha a doutrina jesuítica de localização e escolha do sítio para suas construções, preconizando segurança, visibilidade do entorno e facilidade de acesso por rios ou pelo mar. Essas construções, realizadas em áreas elevadas, marcaram, por conseguinte, no tempo e no espaço, a paisagem dos primeiros núcleos urbanos brasileiros. A pesquisa analisou um dos exemplares históricos da arquitetura jesuítica no Estado do Espírito Santo, especificamente na cidade de Vitória, capital e núcleo urbano original da colonização portuguesa neste Estado. A instalação dos jesuítas na antiga Vila da Vitória, no séc. XVI, através de sua igreja dedicada a São Tiago e de seu colégio anexo, marca a presença tipológica de uma arquitetura religiosa que influencia a própria morfologia da cidade – caracterizando esta arquitetura como um tipomorfológico - e, por reflexo, participa da construção de sua paisagem urbana secular. Entende-se que o antigo complexo jesuítico de São Tiago e atual Palácio Anchieta, sede governamental e prédio cultural capixaba, é uma arquitetura que permeia estas três grandes narrativas arquitetônicas e urbanas: a tipologia, a morfologia e a paisagem.
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Esta pesquisa teve como objetivo investigar o papel da ação mediada na configuração dos sentidos que perpassam um processo de interação discursiva em uma sala de aula de Biologia, da 1ª série do ensino médio, de uma escola pública estadual do município de Vitória-ES, durante aulas que visavam abordar os conceitos de fotossíntese e respiração celular. Para isso, apoiamo-nos na tese de que a ação mediada qualificada como organizada, dialógica, compreensiva e interativa favorece a formação desses conceitos científicos por alunos de ensino médio. Assim, partimos de uma concepção teórico-metodológica ancorada na matriz histórico-cultural. A pesquisa-ação crítico-colaborativa foi utilizada como aporte metodológico e os instrumentos de coleta de dados se basearam em observações do cotidiano escolar e da sala de aula com registros em diários de campo, filmagem das aulas em vídeo, questionários, provas escritas dos alunos e entrevistas reflexivas. As análises dos dados se basearam na análise microgenética proposta por Vigotski, complementada com uma análise compreensiva ancorada nas ideias de Bakhtin. Dois grandes eixos de análise foram delimitados: 1 - a ação mediada no trabalho com os alunos; 2 - os enunciados e sentidos produzidos durante o processo da pesquisa na perspectiva da professora. Os resultados revelam evidências de que a ação mediada qualificada como intencional, organizada, dialógica, compreensiva e interativa favorece a formação dos conceitos científicos de fotossíntese e respiração celular por alunos do ensino médio, promovendo um ensino fecundo, na concepção defendida por Vigotski. Os resultados indicam também que o processo de pesquisa-ação crítico- colaborativa apresentou resultados positivos no que concerne à formação continuada da professora de Biologia. Concluímos que se fazem necessários investimentos em programas de formação de professores que procuram articular escola e universidade, integrando formação inicial e continuada de professores. Para isso, defendemos que esse processo de formação seja feito dentro de uma perspectiva crítica e colaborativa, baseada em uma ação mediada intencional e dialógica que favoreça o desenvolvimento de um ensino fecundo
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The HCI community is actively seeking novel methodologies to gain insight into the user’s experience during interaction with both the application and the content. We propose an emotional recognition engine capable of automatically recognizing a set of human emotional states using psychophysiological measures of the autonomous nervous system, including galvanic skin response, respiration, and heart rate. A novel pattern recognition system, based on discriminant analysis and support vector machine classifiers is trained using movies’ scenes selected to induce emotions ranging from the positive to the negative valence dimension, including happiness, anger, disgust, sadness, and fear. In this paper we introduce an emotion recognition system and evaluate its accuracy by presenting the results of an experiment conducted with three physiologic sensors.
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Guimarães, in the northwest of Portugal, is a city of strong symbolic and cultural significance and its nomination by UNESCO as world heritage, in 2001, enlarged its tourism potential. In this paper we present a few results of a survey that envisaged capturing the Guimarães residents’ perceptions of tourism impacts and their attitudes towards tourists. Specifically, one analyzes the type of relationship that exists between some socio-demographic groups and the perceived tourism impacts, as well as their socio-characteristics and the existing level of interaction between residents and tourists. The survey was implemented between January and March 2010 to a convenience sample of 540 inhabitants of the municipality of Guimarães resulting in 400 questionnaires with complete data. For this, we made use of various statistical techniques. Using a factorial analysis, we can conclude that the three factors used explain 52.3% of the variance contained in the original variables obtained from the survey. By another side, using a logit model in the analysis and taking as the dependent variable the frequent or very frequent contact with tourists, we found that only the variables referred to perceived positive impacts of tourism, education and the place of residence in urban areas have shown to be statistically significant. We are aware of the multiple ways the issue of residents’ perceptions and attitudes towards tourism can be approached and of the difficulties to get useful policy-oriented insights. This paper is a step in that trail.
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With the purpose of at lowering costs and reendering the demanded information available to users with no access to the internet, service companies have adopted automated interaction technologies in their call centers, which may or may not meet the expectations of users. Based on different areas of knowledge (man-machine interaction, consumer behavior and use of IT) 13 propositions are raised and a research is carried out in three parts: focus group, field study with users and interviews with experts. Eleven automated service characteristics which support the explanation for user satisfaction are listed, a preferences model is proposed and evidence in favor or against each of the 13 propositions is brought in. With balance scorecard concepts, a managerial assessment model is proposed for the use of automated call center technology. In future works, the propositions may become verifiable hypotheses through conclusive empirical research.
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This article presents the results of a research to understand the conditions of interaction between work and three specific information systems (ISs) used in the Brazilian banking sector. We sought to understand how systems are redesigned in work practices, and how work is modified by the insertion of new systems. Data gathering included 46 semi-structured interviews, together with an analysis of system-related documents. We tried to identify what is behind the practices that modify the ISs and work. The data analysis revealed an operating structure: a combination of different practices ensuring that the interaction between agents and systems will take place. We discovered a structure of reciprocal conversion caused by the increased technical skills of the agent and the humanization of the systems. It is through ongoing adjustment between work and ISs that technology is tailored to the context and people become more prepared to handle with technology.