Modelagem molecular na caracterização eletrônica de oligopeptídeos e na descrição quântica da interação fármaco-receptor

In this dissertation, the theoretical principles governing the molecular modeling were applied for electronic characterization of oligopeptide α3 and its variants (5Q, 7Q)-α3, as well as in the quantum description of the interaction of the aminoglycoside hygromycin B and the 30S subunit of bacterial ribosome. In the first study, the linear and neutral dipeptides which make up the mentioned oligopeptides were modeled and then optimized for a structure of lower potential energy and appropriate dihedral angles. In this case, three subsequent geometric optimization processes, based on classical Newtonian theory, the semi-empirical and density functional theory (DFT), explore the energy landscape of each dipeptide during the search of ideal minimum energy structures. Finally, great conformers were described about its electrostatic potential, ionization energy (amino acids), and frontier molecular orbitals and hopping term. From the hopping terms described in this study, it was possible in subsequent studies to characterize the charge transport propertie of these peptides models. It envisioned a new biosensor technology capable of diagnosing amyloid diseases, related to an accumulation of misshapen proteins, based on the conductivity displayed by proteins of the patient. In a second step of this dissertation, a study carried out by quantum molecular modeling of the interaction energy of an antibiotic ribosomal aminoglicosídico on your receiver. It is known that the hygromycin B (hygB) is an aminoglycoside antibiotic that affects ribosomal translocation by direct interaction with the small subunit of the bacterial ribosome (30S), specifically with nucleotides in helix 44 of the 16S ribosomal RNA (16S rRNA). Due to strong electrostatic character of this connection, it was proposed an energetic investigation of the binding mechanism of this complex using different values of dielectric constants (ε = 0, 4, 10, 20 and 40), which have been widely used to study the electrostatic properties of biomolecules. For this, increasing radii centered on the hygB centroid were measured from the 30S-hygB crystal structure (1HNZ.pdb), and only the individual interaction energy of each enclosed nucleotide was determined for quantum calculations using molecular fractionation with conjugate caps (MFCC) strategy. It was noticed that the dielectric constants underestimated the energies of individual interactions, allowing the convergence state is achieved quickly. But only for ε = 40, the total binding energy of drug-receptor interaction is stabilized at r = 18A, which provided an appropriate binding pocket because it encompassed the main residues that interact more strongly with the hygB - C1403, C1404, G1405, A1493, G1494, U1495, U1498 and C1496. Thus, the dielectric constant ≈ 40 is ideal for the treatment of systems with many electrical charges. By comparing the individual binding energies of 16S rRNA nucleotides with the experimental tests that determine the minimum inhibitory concentration (MIC) of hygB, it is believed that those residues with high binding values generated bacterial resistance to the drug when mutated. With the same reasoning, since those with low interaction energy do not influence effectively the affinity of the hygB in its binding site, there is no loss of effectiveness if they were replaced.

Resistência da artéria carótida e autônima funcional em mulheres idosas

High carotid artery resistance indices in the elderly arise mainly as a result of harmful daily lifestyle behavior and poor eating habits. The aim of this multidisciplinary study was to assess and correlate carotid artery resistance and functional autonomy in elderly women. A descriptive, exploratory cross-sectional study was conducted with a sample comprising 27 women, enrolled in pastoral programs in the city of Teresina, Brazil. Carotid artery resistance was assessed by a high-resolution Doppler ultrasound device and functional autonomy was evaluated through five protocol tests of the Latin American Development Group for the Elderly (GDLAM), simulating activities of daily life. The data were analyzed by the Shapiro-Wilk test and the correlation by Spearman s test, considering a p-value of <0.05. The sample consisted of women with mean age and standard deviation of (68.67 ± 4.52) years, respectively and carotid resistance index of (0.71 ± 0.07). The general index value of functional autonomy classified the elderly of the study group as weak in the performance of activities of daily living (30.46 ± 6.31). The general index of functional autonomy showed a high level of sedentary behavior in the group studied (p < 0.01). The sample was classified as weak in the performance of activities of daily life. The correlation coefficient between the carotid resistance index and the general GDLAM index was r = 0.998 and p = 0.000, showing a significant correlation. The elderly women assessed had a high carotid artery resistance index and low functional autonomy; a positive correlation was found between the dependent variables studied. To perform this study we formed a team composed of a nurse, who helped in organizing the sample and performing the examinations; a radiologist, who conducted the Doppler examinations; an angiologist, who collaborated in interpreting examination data; in addition to two physical education professors and two physical therapists, who applied the functional autonomy tests and conducted the 34 research along elderly health lines, contributing thus to the multidisciplinary character, fundamental for carrying out the study

Resistotipagem e transferência genética de plasmídios de resistência entre coliformes e vibrios potencialmente patogênicos para o homem isolados de camarão (litopenaeus vannamei) comercializado em Natal-Rio Grande do Norte

Cinquenta amostras de camarão fresco e refrigerado (Litopenaeus vannamei) foram coletadas em diferentes pontos de comercialização na cidade de Natal RN. As amostras foram maceradas em um gral estéril e 25 gramas semeadas em 225mL de APA contendo 1% de NaCl e 25g em 225mL de CL incubadas a 35ºC - 24 horas. O crescimento em APA foi semeado em placas de Ágar TCBS, incubadas a 35ºC-24h para isolamento de Vibrio e Aeromonas. O crescimento do CL foi semeado em Agar EAM, para isolamento de coliformes. Dos 102 isolados, 91 (89,2%) pertenciam ao gênero Vibrio e 11 (10,8%) ao gênero Aeromonas, com predominância de V. cholerae não O1/não O139, V. alginolyticus, V. carchariae e V. parahaemolyticus K- e A. veronii biogrupo sobria , A. jandaei, A. schubertii, A. veronii biogrupo veronii e A. hydrophila. A menor eficiência entre os antimicrobianos foi da AMP (57,8% de resistência) seguida da AMK (29,4%) e TCY (21,6%). As 39 cepas de Vibrio e Aeromonas multirresistentes se distribuíram em 10 perfis distintos, sendo que um revelou cinco marcos (AMP, CHL, NIT, SXT e TCY) em um isolado de V. carchariae de camarão, adquirido em supermercados. O índice MAR, nas 39 cepas variou de 0,28 a 0,42, sugerindo que são de risco na transferência e difusão da resistência na cadeia alimentar. Após a cura plasmidial pelo tratamento com AO de 24 cepas multirresistentes e com resistência intermediária de víbrio e aeromonas escolhidas aleatoriamente, 13 perderam totalmente a resistência e 7 perderam parcialmente, sendo que o maior percentual de perda da resistência ocorreu nas cepas de V. cholerae não O1 e não O139 (6 cepas), se concentrando nos marcos de resistência a AMP (13), AMK (11), TCY(8) e CIP(3). Os resultados da conjugação realizada entre amostras de Vibrio xvi curadas e a E. coli K12C600 demonstraram que 78,5% das culturas de Vibrio testadas revelaram capacidade de transferência para o gene que confere resistência a AMP e 28,5% para a TCY. Dos coliformes, E. coli foi a mais frequente, seguida de Citrobacter spp, isoladas em 40,3% e 27,5% das amostras respectivamente. AMP foi o antimicrobiano menos eficaz, seguido de TCY. As 11 cepas multirresistentes se distribuíram em 9 perfis distintos, um deles constituído de cinco marcos (AMP, NIT, TCY, CHL, SXT), albergados em uma cepa de Klebsiella spp, oriunda de camarão adquirido em supermercado, similar ao resultado obtido em V. carchariae. Conclui-se que, os camarões marinhos frescos e refrigerados, comercializados em Natal-RN evidenciaram contaminação com coliformes, víbrios e aeromonas multirresistentes a antimicrobianos comumente utilizados na terapia médica e veterinária, e que, possivelmente, a transferência de genes de resistência entre bactérias se constitui um sério problema de saúde pública

Avaliação eletromiográfica dos músculos do assoalho pélvico na síndrome dos ovários policísticos

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Análise do óxido nítrico, perfil lipídico, resistência arterial e capacidade funcional de idosas submetidas a um treinamento aquático

A prática regular de exercício físico possibilita redução dos efeitos das disfunções hormonais e envelhecimento biológico natural que promovem desajustes hemodinâmicos, vasculares e músculo-esqueléticos, principalmente na população feminina no período pós-menopausa. Nesta fase da vida, o exercício aquático representa mais do que uma forma de ajuste funcional, é uma forma de manutenção de independência para as atividades da vida diária (AVD s) e melhoria na qualidade de vida. Este estudo teve como objetivo avaliar as modificações adquiridas pela prática regular de um programa de exercício aquático concorrente de intensidade moderada no nível de óxido nítrico (ON), no índice de resistividade arterial (IR), no perfil lipídico, na capacidade funcional e na qualidade de vida de idosas. A amostra foi formada por idosas (60 a 80 anos) selecionadas por randomização, por sorteio simples divididas em grupo controle e grupo de intervenção as quais foram submetidas a um programa de exercícios aquáticos proposto inicialmente em projeto piloto, por 12 semanas (n=34) e o ensaio clínico teve duração de 16 semanas (n=40). Foi coletada amostra sanguínea das idosas e avaliado o perfil lipídico pelo método enzimático com kit Labtest e o ON por medida indireta a partir da concentração de nitrito no sobrenadante das células em cultura em leitor de ELISA. A avaliação das artérias carótidas e vertebrais foi feita utilizando o método de ultra-som Doopler. A capacidade funcional foi avaliada por quatro testes que simulam atividades da vida diária que são: caminhar 10 metros (C10m), levantar da posição sentada (LPS), levantar da cadeira e locomover-se pela casa (LCLC) e o de levantar-se da posição decúbito ventral (LPDV). No estudo piloto foi avaliado o índice geral de autonomia funcional (IG) e a qualidade de vida através do questionário WHOQOL-100. Empregou-se a análise de variância (ANOVA) com medidas repetidas nos fatores grupo (GH e GC) e tempo (pré e pós-teste) para as comparações intra e intergrupos nas variáveis seguida do post hoc de Scheffé. Utilizou-se o teste de correlação de Pearson e adotado o valor de p<0,05 para a significância estatística. Houve aumento do ON circulante, redução nos índices de resistividade arterial, melhoria significativa nos níveis de colesterol e triglicérides e ganho na capacidade funcional das idosas após a intervenção. Existiu correlação inversa entre a resistividade da artéria vertebral direita (VERTD) e níveis de ON e entre a VERTD e os níveis plasmáticos de HDL, assim como entre estes e o teste C10m nas idosas em estudo. Não houve modificações significativas na qualidade de vida das idosas. Em conclusão, o programa de exercício proposto foi capaz de oferecer melhorias funcionais, aumentar o nível de óxido nítrico circulante, diminuindo a resistência arterial promovendo modificações no perfil lipídico de idosas

Exercício aeróbico, resistência de artéria carótidae autonomia funcional em mulheres idosas

The aim of this study was to analyze the effects of an aerobic exercise program on the internal right carotid resistive index (IRCRI) and the functional autonomy levels of elderly women. The sample was composed of 25 elderly sedentary women, aged between 60 and 75 years, allocated into two groups: an experimental group consisting of 14 women submitted to aerobic treatment and a control group (n=11). Carotid artery resistance assessment was conducted using Doppler ultrasound and functional autonomy by the following tests: 10m walk (10mW), rising from a sitting position (RSP), rising from a chair and moving about the house (RCMH), rising from the ventral decubitus position (RVDP) and putting on and removing a t-shirt (PRTS). Aerobic training consisted of walking 30 minutes a day, 3 times a week, for 3 months. To control the intensity of the walk, the index of perceived exertion was used, with standardized Borg scale values corresponding to 13-15 points, characterized as slightly tiring exercise with training heart rate (TRH) between 50% and 80% of heart rate reserve (HRR). Repeated measures ANOVA was used for statistical analysis. Compared to the control, the experimental group obtained a statistically significant decrease in right internal carotid resistance (p = 0.021) and a significant increase in the following tests: 10mW (p=0.000), RSP (p=0.035) and RCMH (p=0.016). These results suggest that engaging in aerobic exercises was effective in decreasing IRCRI and improving functional autonomy inelderly women

Exercício aeróbico, resistência de artéria carótida e autonomia funcional em mulheres idosas

Este estudo teve como objetivo analisar os efeitos de um programa de exercício físico aeróbico sobre o índice de resistência da artéria carótida interna direita (IRCID) e os níveis de autonomia funcional de mulheres idosas. A amostra foi constituída por 25 idosas sedentárias, com idade entre 60 e 75 anos, divididas em dois grupos: grupo experimental com 14 idosas submetidas ao treinamento aeróbico e grupo controle (n=11). A avaliação da resistência da artéria carótida foi realizada pelo método de ultrasom Doppler e a autonomia funcional pelos testes: caminhar 10m (C10m), levantar da posição sentada (LPS), levantar-se da cadeira e locomover-se pela casa (LCLC), levantar-se da posição decúbito ventral (LPDV) e vestir e tirar a camisa (VTC). O treinamento aeróbico foi realizado na forma de caminhada, 30 minutos por dia, 3 vezes por semana, durante 3 meses. Para o controle da intensidade da caminhada foi utilizado o índice de esforço percebido, com valores padronizados pela escala de Borg onde a intensidade deveria corresponder a uma faixa entre os valores 13 a 15 pontos, correspondente a uma situação orgânica derivada de um exercício compreendido como ligeiramente cansativo e a frequência cardíaca de treino (FCT) entre 50% a 80% da frequência cardíaca de reserva. Para analise estatística foi utilizado a ANOVA de medidas repetidas. O grupo experimental quando comparados com o grupo controle obteve uma diminuição estatisticamente significativa na resistência da artéria carótida interna direita (p=0,021), e um aumento significativo nos testes: C10m (p=0,000), LPS (p=0,035) e no LCLC (p=0,016). Estes resultados sugerem que a prática de exercícios físicos aeróbicos foi eficaz em diminuir o IRCID e melhorar os níveis de autonomia funcional em mulheres idosa

O direito social fundamental de acesso à energia elétrica e a atuação estatal

Electrical energy today is an essential element in the life of any human being. Through the access to electrical energy it is possible to enjoy dignified conditions of life, having in mind the possibility of making use of minimal material conditions of life. The lack of access to electricity is directly linked to poverty and degrading conditions of life, in which are some communities in Brazil, especially the more isolated from urban centers. Access to the electric service is a determining factor for the preservation of human dignity, constitutional principle inscribe in the art.1 of the Federal Constitution, and the promotion of development, being a right of everyone and a duty of the State to promote universal access. For that reason, focuses mainly on the analysis of their setting as a fundamental social right and its importance for national development. For this, the theoretical and descriptive method was used, with normative and literary analysis, in particular the Constitution of 1988. This study also discusses the form of action of the State in the energy sector, to give effect to the fundamental social right of access to electricity, the characteristics of public service and the principles that guide it, in addition to the role of public policies in universalization of access, in particular the analysis of the Program Luz para Todos, and the function of regulation in the implementation of these policies and the provision of adequate public services.

Rituais de resistência: experiências pedagógicas tapeba

The work aims to investigate some of the educational actions developed in the differentiated Tapeba schools (CE), in their pedagogical practices. The reading of these practices as ritual of ethnic cultural resistance is accomplished by the approach of studies of experience and performance in the anthropology, as well as, the analytical perspective suggested by the dramaturgy ideas and social drama. So, taking a critical approach of the school, that conceives it, while time space privileged of possibilities of political social change, this work searches to notice the means of achievement of a differentiated education. I aim at, with that, to observe the ritual moments and performáticos of the pedagogic practices of Tapeba while important political-symbolic expressions of your collective experiences, looking at the process of construction of legitimacy of the school differentiated as scenery of creation of pedagogic rituals of resistance. Then, the Cultural Fair, Tapeba Indian Games, the Walking of Tapeba Indian`s Day and Carnauba Party by one side and the Cultural Classes, by another, promote a re-thinking on the experiences of Tapeba ethnicity, distinguishing also, in this process of identity affirmation, the political pedagogical role fulfilled by land re-taking. Finally, this work makes clear that Tapeba prove to be individuals with rights and at the same time they want to legitimate their differentiated school practices, Tapeba construct the meaning of their social actions in the educative and in other aspects of their communitarian living as well

Da resistência à ação política, a educação pelo consenso: a ação educativa de Pe. Sabino em Mãe Luiza Natal/RN

This study focuses on a methodology of unchained action by Father Sabino Gentili in Mãe Luiza, suburb of Natal-RN, which has enhanced social participation in what Castells calls project identity. The perception of collective actions, focused on the development of subjects from the perspective of Alain Touraine occurs continuously in a popular neighborhood, whose history marked by conflict mainly related to the resistance in the remaining living space. It is argued that there was an appropriation of resistance identity, which was already present in the community of Mãe Luiza, in order to channel it to create a project identity, through an implicit methodology that has been identified as Pedagogy of Consensus, based on Paulo Freire s concepts of dialogue and participation. Therefore, by means of qualitative research, using tools such as semi-structured interviews and documented sources, we tried to describe the intent of the action of a social actor and the political and educational strategies that motivate the collective action aiming a social change, observing the elements present in this action that allowed the continuity of organizational and participating processes through the dynamics of Mãe Luiza s neighborhood

Mestres e aprendiz: perambulando por ilhas de resistência

Monoculture of mind This idea, presented by Vandana Shiva, reflects the phase that we have experienced in the world: a notion of civilization that, since many decades, characterized by a technocratic big trend, has been shown as dominant and hegemonic. Based on a thinking and acting, felling and whishing standardization, this wave ends implying in what can be called of humanity‟s crisis at civilizational process. Destruction of simpler and more harmonious lifestyles with nature, human relations increasingly distant, values embrittlement, as respect, goodness and love, are some consequences of that behavioral homogenization. In the other hand, appears an archipelago of cultural and cognitive resistance against this devastating wave. Edgar Morin and Ceiça Almeida refer to this archipelago as a South Thought , what is not just a geographic question. Report, therefore, to some places, peoples, island that keep ancient costumes and knowledge, orally transmitted, for instance, from elders to younger, or vice versa, in an almost constant flow. Particular ways of experiencing the world around themselves, the men, animals, plants, rocks, or even not alive beings, masters or enchanted, spiritual guides. Next to a logic of sensitive, as Claude Levi-Strauss proposes, this reading, which is a more attentive, observer and wiser posture of surroundings, is based on touching, smelling, eating, seeing, and, I would add, felling. In light of this, I try to expatiate about certain experiences that I had the pleasure of living in some of these islands of resistance. Talks, perceptions, observations, sensations Stories, prose, poetries, music, photos, graphics Whatever could serve to portray even a bit of the reflections and forms to understand (ourselves) and produce knowledge, such as from a formation/Education to life, was well used at this ethnographic work. Space to the subjectivity and emotions I had, have, and will have a lot Everything for the dear reader may fell traveling around the world of tradition, resistance

Fatores de decisão da adoção do gás natural na geração de energia elétrica em pequena escala em postos de combustíveis: um estudo de anális de decusão usando o processo de hierarquia analítica AHP

A modeling of criterias and alternatives is through and applied a questionnaire based on method AHP to proprietors of gas stations. The considered alternatives had been the maintenance of the current state with electric energy of the deliverer and the generation in small scale based on the natural gas. The used criteria had been Cost of the Investment, Final Cost of the Energy, Operational cost, Ambient Benefits, Risk and Variation of Costs. The study it was carried through in the city of Natal, RN in ranks that make use of the natural as for resale, where the generation alternative on the basis of the available gas is present. The main results evidence in a dimension the viability of use of method AHP with questionnaire by means of validation of the judgments with analysis of variance beyond proper the normal mechanisms of analysis of consistency to the method. The main results of the analysis help to show that in this in case that the profile of models of criteria and judgments of the actors is similar, with the final evidence of that it has a dominance of the maintenance of the energy of the deliverer. The main criterion to influence this decision was the risk

Um estudo da aplicação do conceito de risco na conscientização e conhecimento de estudantes de ensino técnico sobre riscos de segurança e saúde ocupacional em laboratório de soldagem

This dissertation presents a discussion on the level of risk awareness of students who have welding practice in the laboratories at CEFET/PI, both in Teresina and Floriano. Its main goal is to investigate risk factors involving students, teachers and employees that work in these laboratories. It s an empirical survey, held among a certain amount of students from the course in Mechanic Technology. For data analysis, the concept of risk was compared to the students direct measure of perception. The main results suggest the students must be better informed, more risk aware and more competent, in order to avoid accidents. They also point to a strong need for a more formal and effective performance to assure full consciousness about the risks involving the welding practice.

Avaliação de programa de ginástica laboral e desempenho funcional: um estudo em empresa distribuidora de energia elétrica

This thesis treats of a avaliation of a laboral gimnastics program of a electrical energy enterprise from Rio Grande do Norte. The leading aim of this work is to analyse the laboral gimnastics program with emphasis on functional performing and personal changes of staff of different categories. The work shows two divisions: at first, it was carried out the bibliographic study approaching the concepts and historic about the ergonomy and the main focus of study, the laboral gimnastics , performing factors and lifestyle.The second time , it was carried out the field study where was used a questionnaire to a 160 staff population which participate of laboral gymnastics program; then the data were analysed through three statistics analyses: multivaried__ clusters, qui-quadrado and multiple linear regression. The results aim to the confirmation that the laboral gymnastics program developed two years ago on enterprise proposes to the white-collar and operational workers an improving on their functional performing and also, to the changes in some aspects of lifestyle, like the food, leisure and stress level. In conclusion, it was checked that the investiment in life quality programs offer benefits both to the staff and the enterprise which will account with good services and satisfaction of customer. Therefore, it was concluded that the laboral gymnastics while a ergonomic tool and a physical activity, it is an investiment which needs more and more to be strengthened and inserted by many segments of society

Classificação de distúrbios na rede elétrica usando redes neurais e wavelets

Post dispatch analysis of signals obtained from digital disturbances registers provide important information to identify and classify disturbances in systems, looking for a more efficient management of the supply. In order to enhance the task of identifying and classifying the disturbances - providing an automatic assessment - techniques of digital signal processing can be helpful. The Wavelet Transform has become a very efficient tool for the analysis of voltage or current signals, obtained immediately after disturbance s occurrences in the network. This work presents a methodology based on the Discrete Wavelet Transform to implement this process. It uses a comparison between distribution curves of signals energy, with and without disturbance. This is done for different resolution levels of its decomposition in order to obtain descriptors that permit its classification, using artificial neural networks