679 resultados para Perfil Elétrico de Densidade (RHOB)
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OBJETIVO: Identificar o perfil dos alunos e as motivações que os levaram a cursar o Programa de Pós-Graduação em Medicina (Radiologia) da Faculdade de Medicina da Universidade Federal do Rio de Janeiro, bem como avaliar a produção científica, quantitativa e qualitativamente. MATERIAIS E MÉTODOS: Foi enviado questionário contendo perguntas abertas e fechadas a 183 ex-alunos. Responderam 148 egressos. Avaliaram-se expectativas, destino profissional e produção científica. RESULTADOS: O aprimoramento técnico-científico (39,08%) e a evolução na carreira docente (26,82%) foram os aspectos que mais motivaram os egressos a cursar a pós-graduação. As mudanças decorrentes da finalização do curso foram: melhor conhecimento técnico (33,33%) e maior confiança no desempenho de suas funções (17,83%). Verificou-se que 60,42% estão atuando em instituições de ensino superior e 39,58% não, e que 84,93% dos artigos científicos sobre os temas das teses/dissertações foram publicados. CONCLUSÃO: O curso tem cumprido os requisitos essenciais para a formação de pesquisadores e docentes. Identificou-se a necessidade de atuação mais efetiva dos docentes do programa e de modificações curriculares, inserindo-se uma disciplina dedicada à elaboração de trabalhos científicos.
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OBJETIVO: Analisar a inovação tecnológica brasileira na área de radiologia e diagnóstico por imagem, em termos de indicadores de patentes. MATERIAIS E MÉTODOS: Este é um estudo analítico-exploratório de informações recuperadas por meio de consultas cruzadas nas bases de dados dos escritórios de propriedade intelectual do Brasil (Instituto Nacional da Propriedade Industrial - INPI), dos Estados Unidos (United States Patent and Trademark Office - USPTO) e da Europa (European Patent Office - EPO). RESULTADOS: Foram encontradas 277.057 patentes. Desse total, 7.800 foram registradas no INPI (3%), 65.428 (24%) registradas no EPO e 203.829 (73%) emitidas no USPTO. O Brasil é o país signatário em 1.732 patentes publicadas no INPI, 80 no EPO e 26 no escritório USPTO. Globalmente, 219.993 (79%) patentes referiam-se a dispositivos eletrônicos ligados a informática em saúde, ultrassonografia, ressonância magnética, tomografia computadorizada e procedimentos de geração, comunicação e arquivamento de imagens, e 57.064 (21%) das patentes tratavam das tecnologias relacionadas a radioproteção e dosimetria, física nuclear, eletroterapia, terapia magnética e radioterapia. CONCLUSÃO: Os resultados obtidos apontam para a fragilidade da produção nacional de inovação tecnológica registrada em patentes, no campo de radiologia e diagnóstico por Imagem.
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This paper describes a study about the causes for the dropout of chemistry undergraduate students at UFMG in the nineties. The students' social and economic profile was outlined. It was observed a correlation between family income and academic performance and between failure at the beginning of the course and the dropout, but it seems that family income doesn't affect markedly the dropout. The endogenous and exogenous causes contribute equally for the dropout. The authors suggest that the dropout could be significantly reduced if the endogenous causes such as large classes, inadequate curricula and programmes, poor teaching and the unapproachability on the part of the teachers were faced.
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The influence of a strong external electric field in chemical bonding is not extensively studied. In this work, the behavior of the potential energy curves of the BeH+ ion in an external electric field is investigated by means of variational calculations using molecular orbitals. For simplicity we consider the case where the external field is parallel to the molecular axis, in the direction of the dipole moment, which raises the polarization of the ion. The effects on dissociation are investigated.
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The objective of this paper is to reflect about the professional profile required of chemists by the chemical industry employing new management practices. This paper includes: a) historical synthesis of the appropriation of chemical knowledge by the industrial sector, b) a discussion of today's industrial organization and a comparison between the professional profile of chemists as expected by the taylorist and fordist standards of production and that expected in the context of flexibilization and globalization of production.
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The adsorption of H and S2- species on Pd (100) has been studied with ab initio, density-functional calculations and electrochemical methods. A cluster of five Pd atoms with a frozen geometry described the surface. The computational calculations were performed through the GAUSSIAN94 program, and the basis functions adapted to a pseudo-potential obtained by using the Generator Coordinate Method adapted to the this program. Using the cyclic voltammetry technique through a Model 283 Potentiostat/Galvanostat E.G.&G-PAR obtained the electrochemical results. The calculated chemisorption geometry has a Pd-H distance of 1.55Å, and the potential energy surface was calculated using the Becke3P86//(GCM/DFT/SBK) methodology. The adsorption of S2- ions on Pd surface obtained both through comparison between the experimental and theoretical results, at MP2 level, suggest a S2- absorption into the metallic cluster. The produced Pd-(S2-) system was show to be very stable under the employed experimental conditions. The paper has shows the powerful aid of computational methods to interpret adsorption experimental data.
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The fundaments of the modern Density Functional Theory (DFT), its basic theorems, principles and methodology are presented. This review also discuss important and widely used concepts in chemistry but that had not been precisely defined until the development of the DFT. These concepts were proposed and used from an empirical base, but now their precise definition are well established in the DFT formalism. Concepts such as chemical potential (electronegativity), hardness, softness and Fukui function are presented and their consequences to the understanding of chemical reactivity are discussed.
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In this paper we review the basic techniques of performance analysis within the UNIX environment that are relevant in computational chemistry, with particular emphasis on the execution profile using the gprof tool. Two case studies (in ab initio and molecular dynamics calculations) are presented in order to illustrate how execution profiling can be used to effectively identify bottlenecks and to guide source code optimization. Using these profiling and optimization techniques it was possible to obtain significant speedups (of up to 30%) in both cases.
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The genus Plumbago belongs to the family Plumbaginaceae, order Plumbaginales. Comparative chemical profile of P. scandens (native) and P. auriculata (cultivated) was obtained by normal and reversed-phase high performance liquid chromatography with photodiode array detector. Comparison of the ultraviolet espectra and the retention times for the compounds allowed to find similar metabolic patterns in roots, stems and leaves. Four flavonoids, one phenolic acid or derivative and the naphtoquinone plumbagin were comparatively identified to standards.
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This paper describes the studies of the performance and the efficiency of the Degree in Chemistry (nocturne) course at the UFC. The study embraces the period of its foundation (1995) until the current days. In general, the course has enhanced its efficiency, with an evident improvement presented by the students, which are more confident with strong indicative of better social prestige.
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This article shows that thiosemicarbazones, semicarbazones and their metal complexes can exhibit target selectivity along with a wide pharmacological profile. Complexes of thiosemicarbazones with cytotoxic or antitumoral activity are presented, some of which show activity against cisplatinum-resistant cells. The inhibition mechanism of the enzyme ribonucleoside diphosphate reductase (RDR), involved in DNA syntheses, by alpha(N)-heterocyclic thiosemicarbazones is discussed. The encouraging results of clinical trials with the RDR inhibitor 3-aminopyridine-2-carboxaldehyde thiosemicarbazone ("Triapine") against rapidly growing tumors are outlined. Examples are also given of thiosemicarbazones with antiviral and antimicrobial activity. The possible applications of semicarbazones as anticonvulsants with low toxicity and good therapeutic index are presented.
Estudo químico e perfil cromatográfico das cascas de Aspidosperma parvifolium A. DC. ("pau-pereira")
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Four known alkaloids, uleine, epiuleine, apparicine and desmethyluleine, besides the isoprenoids lupeol and stigmasterol were isolated from the stem bark of Aspidosperma parvifolium. Their identification was based on spectroscopic analysis (UV, IR, ¹H-NMR, 13C-NMR, MS). The chromatographic profile of the ethanolic extract was obtained by HPLC and uleine, epiuleine and apparicine were identified in the extract.
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Calculations based on density functional theory at the B3LYP hybrid functional level applied to periodic models have been performed to characterize the structural and electronic properties of PbTiO3. Two different slab terminations (PbO and TiO2) have been considered to obtain and discuss the results of band structure, density of states, charge distribution on bulk and surface relaxation. It is observed that the relaxation processes are most prominent for the Ti and Pb surface atoms. The electron density maps confirm the partial covalent character of the Ti-O bonds. The calculated optical band gap and other results are in agreement with experimental data.
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In this paper, we present and discuss the chemist's education profile in Brazil from the points of view of the academy and the industry. We emphasize that the chemistry courses need urgently to face the following challenge: to improve the undergraduate's interdisciplinary approach, management abilities and interpersonal relationships.