844 resultados para interação enzima-ligante


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A pesquisa resulta do esforço de investigação sobre o exercício do direito à informação na comunicação interpessoal entre médicos e pacientes na enfermaria do Hospital Universitário da Universidade Federal do Maranhão. Com o objetivo de associar o princípio da percepção interpessoal ao processo da comunicação e do uso da informação sobre saúde, demonstrou-se que o exercício da cidadania dos pacientes internados é profundamente influenciado pelas características da interação entre os sujeitos. Empregouse, para tanto, o método compatível com a pesquisa do tipo exploratória, com abordagem de natureza qualitativa, que determinou a adoção da entrevista semi-estruturada e da observação direta, como instrumentos de coleta. Entrevistou-se 70 pacientes internados e 30 médicos atuantes em 13 especialidades no referido hospital, dos quais foram registradas as percepções expressadas por meio de depoimentos, que fornecem relevantes subsídios para a compreensão da configuração da relação entre o médico e o paciente, e de como ela influencia a realização de um dos mais elementares direitos socialmente instituídos: o direito à informação.(AU)

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A partir de conflito interpessoal entre gestores de empresa de médio porte, esta pesquisa realiza estudo de caso com objetivo de investigar os reflexos da mediação na fluência de interação e na afetividade dentro da empresa, enfocando 19 participantes, em três níveis: diretoria, equipe da diretoria e coordenadores. Tem como sustentação teórica as abordagens de mediação: Tradicional de Harvard; Transformativa; Narrativo-Circular e Facilitação, delineadas a partir do modelo dos sistemas dinâmicos da Teoria da Complexidade. Após caracterização inicial da empresa, utiliza-se de técnicas de pré-mediação, mediação e facilitação em grupo, analisando-as qualitativamente. Com preocupação sobre a racionalidade dos resultados sobre os reflexos do trabalho de mediação, compõe questionário sobre fluência de interação e afetividade na empresa, QFI. Os resultados do questionário comprovam os da análise da mediação, sendo que 51% dos funcionários assinalam alterações positivas na interação e na afetividade na empresa como um todo. Os pontos nevrálgicos, apontados pelos participantes como reformulados na mediação referem-se a: Autoritarismo; Muita Pressão; Falta Transparência; Co-Responsável; Cisão entre as áreas Administrativa e Técnica (Cisão AA-AT); Centralização e Escuta Insuficiente. Os dados indicam uma abertura sistêmica na tomada de consciência dos conflitos, associada a uma maior responsabilidade conjunta em tentar resolvê-los, através do gerenciamento integrado e dinâmico de competências individuais, intra e inter-grupais na empresa. O estudo considera, portanto, que a mediação pode ser vista como uma abordagem alternativa de resolução de conflitos, com resultados positivos ao meio organizacional. Devido ao fato de as técnicas de mediação não estarem ainda muito difundidas em nossa realidade, recomenda a necessidade de novas pesquisas , diversificando seu foco em empresas de vários tamanhos e segmentos.

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A aprendizagem formal e tradicional tem dado lugar a um cenário desafiador no qual educador e educando não comungam do mesmo espaço físico. A Educação a Distância (EAD), ainda é vista como uma solução que agrega cada vez mais alunos de diferentes idades que desejam uma graduação de ensino superior ou a continuidade dela. A pesquisa com o título: “O estudante da EAD (educação a distância): um estudo de perfil e interação geracional” propõe conhecer as características do perfil atual do estudante da EAD, abordando o diálogo entre as gerações no ambiente social escolar. O enfoque da pesquisa é qualitativa, exploratória e descritiva com dados que foram coletados através de entrevista com 08 alunos das gerações X e Y para assim entender se este perfil tem sido renovado com alunos mais jovens, do que a faixa etária de 25 a 45 anos. O resultado demonstra que alunos na faixa de 17 a 24 anos a cada ano aumentam 1% das matrículas. Já a faixa de 25 a 45 anos prevalece com 70% das matrículas. Portanto, este resultado revela que o perfil do aluno EAD ainda é o do jovem adulto, para adulto mais experiente, que busca a graduação com o propósito de progressão no ambiente profissional. As duas gerações citadas geração X e geração Y, mesmo em contextos históricos diferenciados de valores, crenças e comportamentos participam atualmente de uma transformação social que contempla os meios de produção do trabalho, a formação educacional e as relações sociais. O diálogo intergeracional direciona a um aprendizado compartilhado, participativo na troca de experiências mutuas. Para a geração X o jovem atual não é mais nomeado como o que precisa escutar e aprender, mas tem muito a partilhar, principalmente diante da facilidade com os meios tecnológicos. E para a geração Y, na partilha não há barreiras de idade, mas a segurança de interagir e se comunicar diante da troca de experiências

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Dengue virus is an important patogen that causes Dengue desease in all world, and belongs to Flavivirus gender. The virus consists of enveloped RNA with a single strand positive sense, 11Kb genome. The RNA is translated into a polyprotein precursor, wich is cleaved into 3 structural proteins (C, prM e E) and 7 non-structural proteins (NS1, NS2A, NS2B, NS3, NS4A, NS4B e NS5). The NS3 is a multifunctional protein, that besides to promote the polyprotein precursor cleavage, also have NTPase, helicase and RTPase activity. The NS3 needs a hydrophilic segment of 40 residues from the transmembrane NS2B protein (who acts like cofator) to realize this functions. Actually, there's no vacines available on the market, and the treatment are just symptomatic. The tetrapeptide inhibitor Bz-Nle-Lys-Arg-Arg-H (Ki de 5,8-7,0 M) was showed as a potent inhibitor μ for NS3prot in Dengue virus. That is a inteligent alternative to treat the dengue desease. The present work aimed analyse the interactions of the ligand bounded to the activity site to provid a clear and depth vision of that interaction. For this purpouse, it was conducted an in silico study, by using quantum mechanical calculations based on Density Functional Theory (DFT), with Generalized Gradient approximation (GGA) to describe the effects of exchange and correlation. The interaction energy of each amino acid belonging to the binding site to the ligand was calculated the using the method of molecular fragmentation with conjugated caps (MFCC). Besides energy, we calculated the distances, types of molecular interactions and atomic groups involved. The theoretical models used were satisfactory and show a more accurate description when the dielectric constant = 20 ε and 80 was used. The results demonstrate that the interaction energy of the system reached convergence at 13.5 A. Within a radius of 13,5A the most important residues were identified. Met49, Met84 and Asp81 perform interactions of hydrogen with the ligant. The Asp79 and Asp75 residues present high energy of attraction. Arg54, Arg85 and Lys 131 perform hydrogen interactions with the ligand, however, appear in BIRD graph having high repulsion energy with the inhibitor. The data also emphasizes the importance of residue Tyr161 and the involvement of the catalytic triad composed by Asp75, His51 and Ser135

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The main objective of the present work is to contribute to the development of the coordination chemistry of macromolecules such as resorcinarene with the synthesis and characterization of new copper complexes with chloride, vanillin and resorcinarene binders, all coordinated to phenanthroline, a biologically active molecule with important properties in biological systems. The complex [(Cu(phen))4(resvan)], was synthesized from the direct reaction of the metals with resorcinarene and generates several possibilities for coordination, which hinders its characterization. Therefore, in order to limit the coordination sites of the ligand, the complex [(Cu(phen))4(resvan)]Cl4 was formed from a new synthetic methodology. The complex cis-[Cu(phen)Cl2], cis-[Cu(phen)(van)]Cl, [(Cu(phen))4(resvan)] and [(Cu(phen))4(resvan)]Cl4 were characterized by spectroscopic techniques such as IR, UV-vis and EPR. By using infrared it has been possible to demonstrate the presence of the phenanthroline ligand in the synthesized complexes, and vanillin in the complex cis- [Cu(phen)(van)]Cl and resvan ligand in the complex [(Cu(phen))4(resvan)], besides this indicating the formation of resorcinarene in the complex [(Cu(phen))4(resvan)]Cl4. The electronic spectra of these coordination compounds indicated the presence of the phenanthroline ligand, by its intense bands in the ultraviolet region. For the complex cis- [Cu(phen)(van)]Cl it still indicated the presence of the ligand vanillin based on intraligand bands of vanillin and charge transfer, LMCT. Furthermore, the spectra showed d-d bands, confirming the formation of metal compounds. The amount of copper atoms present in the complex [(Cu(phen))4(resvan)]Cl4 was estimated from a comparative analysis of the absorbances of solutions of the same concentration of [(Cu(phen))4(resvan)]Cl4 and cis- [Cu(phen)(van)]Cl, which indicates that these compounds have copper atoms in the ratio 4:1. The EPR spectra of the complex cis-[Cu(phen)Cl2], cis-[Cu(phen)(van)]Cl and [(Cu(phen))4(resvan)]Cl4 showed axial profiles, while the complex [(Cu(phen))4(resvan)] showed of axial and rhombic profiles, indicating a change in the symmetry of the Cu (II) to this complex environment. The binders vanillin and resvan underwent biological assays with satisfactory results, both exhibited antioxidant activity and low toxicity, as well vanillin present antitoxoplásmico character.

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In view of the evident increase in the population group of people over 60 years old, the aging process has raised important discussions on social, political and economical planning that recommend that the increase in longevity must be followed by autonomy and well-being. Faced to these demands, the literature reports that physical activity is a key strategy to promote better living conditions for the elderly. Studies about personenvironment are making efforts to understand the socio physical environment role to encourage old people to make activities in many different environments. Among these, the urban public open space has been reported by many researches as a promising alternative in order to adopt a less sedentary life style. Based on these considerations, this study proposed to investigate the relationship between the social environment support elements and social interaction of seniors in public squares in the city of Natal, RN, using a multimethodological approach that included a experts panel, environmental characteristics analysis of 252 squares, case studies containing collective and individual interviews with elderly users and the spatial representation of their social interactions. The association between physical activities with the socialization practiced by them was identified as the main motivation for their presence in these places. The results indicate that the relationship between the socio-environmental characteristics (concept developed in this study) and the socio-spatial behaviors that include the spatial appropriation, spatial arrangements and interpersonal distances, helps to promote social interactions in carrying out activities, which, according to the assumptions Active Ageing Program, enable the maintenance of an active way of life, with important implications for health, wellness and quality of life in old age

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The great demand for Federal Institutions of High Education (IFES) design, triggered by the favourable political moment, boosts the public works market and brings with it the stigma of seeking the lowest cost and meet the federal Law 8.666/93 (Bids). In this context, this research makes an analysis of compliance with Fire Safety’s normative requirements in IFES’s architectural designs, taking this point as an evaluation of quality of designs. For the study, were used, IFES’s designs, specifically from UFERSA – Universidade Federal Rural do Semiárido and UFRN – Universidade Federal do Rio Grande do Norte, selected by the relationship use x public served and yet, in the replication of these buildings’ construction. The research was developed through the identification of the Fire Safety applicable legislation to the designs in question, with the determination of the demanded conditions that are architect’s autonomy or that affect the architectural design. Tabulated the requirements, through data collection and measures gathered in the blueprints, was made a comparison and verification of the compliance with these. The results of this evaluation reveal that the minimum requirements was not fulfilled and that IFES’s architectural designs, taken as object in this study, certainly will suffer restrictions in their regularization process with the Fire Department. It is concluded that is necessary an improvement in the IFES’s designs to meet the minimum fire safety regulations and improvement in quality. Moreover, the results direct to the understanding that level of knowledge about Fire Safety received in undergraduate by architects is insufficient for appropriate elaboration of architectural designs in this area.

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In the central nervous system (CNS) of mammalian, fast synaptic transmission between nerve cells is performed primarily by α-amino-3-hydroxy-5-methyl-4- isoxazolepropionic acid (AMPA) receptors, an ionotropic glutamate receptor that is related with learning, memory and homeostasis of the nervous system. Impairments in their functions are correlated with development of many brain desorders, such as epilepsy, schizophrenia, autism, Parkinson and Alzheimer. The use of willardiine analogs has been shown a powerful tool to understanding of activation and desensitization mechanisms of this receptors, because the modification of a single ligand atom allows the observation of varying levels of efficacy. In this work, taking advantage of Fluorine Willardiine (1.35Å), Hydrogen Willardiine (1.65Å), Bromine Willardiine (1.8Å) and Iodine Willardiine (2.15Å) structures co-crystalized with GluA2 with codes 1MQI, 1MQJ, 1MQH and 1MQG, we attempted to energetically differentiate the four ligands efficacy. The complexes were submitted to energetic calculations based on density functional theory (DFT), under the optics of molecular fractionation with conjugate caps (MFCC) method. Obtained results show a relationship between the energetic values and willardiines efficacy order (FW> HW > BrW > IW), also show the importance of E705, R485, Y450, S654, T655, T480 e P478 as the amino acids that contribute most strongly with the interaction of four partial agonists. Furthermore, we outlined the M708 behaviour, attracted by FW and HW ligands, and repels by BrW and IW. With the datas reported on this work, it is possible for a better understanding of the AMPA receptor, which can serve as an aid in the development of new drugs for this system.

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Studies have shown that a person's socioeconomic status (SES) and the environment in which they are inserted modulate their pro-sociality. While children studying in schools with a more affluent student body tend to be more generous, adults with high SES in both real and experimental situations tend to be more selfish, greedy and individualistic. Another factor that influences pro-sociality is monitoring. When we do something under the supervision of another person, we tend to be more generous and cooperative, compared to situations in which no one is watching, even if the "observer" is a drawing of eyes. This monitoring effect occurs in both adults and children. To date, no studies have investigated whether the SES and the environment influence the pro-sociality of the children. There have also been no studies on how the monitoring effect might be influenced by SES and the environment (in this case, whether the environment is a public or private school). Given this context, our main objective was to investigate whether the generosity and cooperation of monitored and unmonitored kids is modulated by these factors. To this end, we did eight matches of the public goods, under monitoring and control conditions, with 249 children from the ages of 7 to 10 years enrolled in public and private schools in Natal, state of Rio Grande do Norte (Brazil). The SES of each child's family was assessed according to the Economic Classification Criterion of Brazil (2013). Contrary to our predictions, SES, school environment and experimental conditions did not significantly influence cooperation and generosity behavior when analyzed separately. We discuss whether the influences of resource and experimental design adopted for the current study and the historical and economic conditions of Brazil might explain these observations. Interestingly, when SES and school environment were analyzed together, an effect of monitoring on generosity and cooperation was detected. More specifically, monitoring had the effect of decreasing generosity among children with greater SES in private schools; and increased cooperation among children with greater SES in public schools. These results suggest that there is an influence of monitoring on the pro-sociality of children in relation to their SES and acquaintanceship environments. We argue that these observations may be explained by different preoccupations with reputation, according to the environment in which a child is inserted.

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The developed study proposes a new computer modeling efficient and easy to apply in usual project situations to evaluate the interaction between masonry panels and support structure. The proposed model simulates the behavior of the wall exclusively using frame finite elements, thus compounding an equivalent frame. The validation was performed in two ways: firstly, through the analysis of various panels of generic plans, comparing the results obtained from equivalent frame model with the ones from a reference model, which uses shell finite elements in discretization of the walls; and in a second step, comparing with the results of the experimental model of Rosenhaupt. The analyzes considered the linear elastic behavior for materials and consisted basically in the evaluation of vertical displacements and efforts in support beams, and tensions at the base of walls. Was also evaluated, from flat and threedimensional modeling of some walls from a real project, important aspects of the wall-beam interaction, e.g.: the presence of openings of doors and windows, arranged in any position; conditions of support and linking of beams; interference of moorings between walls; and consideration of wind action. The analysis of the achieved results demonstrated the efficiency of the proposed modeling, since they have very similar aspects in the distribution of stresses and efforts, always with intensities slightly larger than those of the reference and experimental models.

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This thesis was performed in four chapters, at the theoretical level, focused mainly on electronic density. In the first chapter, we have applied an undergraduate minicourse of Diels-Alder reaction in Federal University of Rio Grande do Norte. By using computational chemistry tools students could build the knowledge by themselves and they could associate important aspects of physical-chemistry with Organic Chemistry. In the second chapter, we studied a new type of chemical bond between a pair of identical or similar hydrogen atoms that are close to electrical neutrality, known as hydrogen-hydrogen (H-H) bond. In this study performed with complexed alkanes, provides new and important information about their stability involving this type of interaction. We show that the H-H bond playing a secondary role in the stability of branched alkanes in comparison with linear or less branched isomers. In the third chapter, we study the electronic structure and the stability of tetrahedrane, substituted tetrahedranes and silicon and germanium parents, it was evaluated the substituent effect on the carbon cage in the tetrahedrane derivatives and the results indicate that stronger electron withdrawing groups (EWG) makes the tetrahedrane cage slightly unstable while slight EWG causes a greater instability in the tetrahedrane cage. We showed that the sigma aromaticity EWG and electron donating groups (EDG) results in decrease and increase, respectively, of NICS and D3BIA aromaticity indices. In addition, another factor can be utilized to explain the stability of tetra-tert-butyltetrahedrane as well as HH bond. GVB and ADMP were also used to explain the stability effect of the substituents bonded to the carbon of the tetrahedrane cage. In the fourth chapter, we performed a theoretical investigation of the inhibitory effect of the drug abiraterone (ABE), used in the prostate cancer treatment as CYP17 inhibitor, comparing the interaction energies and electron density of the ABE with the natural substrate, pregnenolone (PREG). Molecular dynamics and docking were used to obtain the CYP1ABE and CYP17-PREG complexes. From molecular dynamics was obtained that the ABE has higher diffusion trend water CYP17 binding site compared to the PREG. With the ONIOM (B3LYP:AMBER) method, we find that the interaction electronic energy of ABE is 21.38 kcal mol-1 more stable than PREG. The results obtained by QTAIM indicate that such stability is due a higher electronic density of interactions between ABE and CYP17

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The health paradigm, consolidated in the last century, directed the training of health professionals, educated under the aegis of the Flexnerian training, fragmentary and hospital-centered model. However, it proved to be insufficient to meet the demands of the Unified Health System and the population. In this sense, the National Curriculum Guidelines for Undergraduate health courses emerge as a normative framework in proposing a new professional profile, as well as the recommendation of strategies for the restructuring of curricula and teaching practices, and one of them is the teaching-service integration. Therefore, the aim of this study was to investigate the process of training of Physiotherapy course students of the Federal University of Paraíba with the guiding principle of teaching-service integration, considering DCN. In this sense, the chosen method was a case study with qualitative approach. The sample was intentional, including all faculty members of the permanent staff of the Department of Physiotherapy at UFPB, linked to curriculum components whose practice scenarios occur in the SUS network and time longer than one year in that component. The data collection technique was the semi-structured interview. Data analysis was performed using the content analysis technique. The following categories were considered: professional training for SUS, integration of students to the SUS network services, the relationship between theory and practice in the training of physiotherapists, teaching and health professional partnership in the teaching-learning process and programs of training reorientation and their integration with the course. The results allowed identifying positive points in the teaching-service integration: recognition of the importance of integration activities between university and health services based on the insertion of students in the network, the combined actuation with health service professionals and the opportunity to work in a multidisciplinary team; the existence of structured and organized School Network; participation of students and teachers in government programs that offer the experience of insertion in the labor market. The following weaknesses stood out: difficulties in agreement, planning and evaluation of activities by the service; gap between theoretical and practical activities; lack of definition of roles of teacher and health service professionals in the training process and the fragile relationship of reorientation of vocational training programs with the curricular activities of the course. The teaching-service integration as a guiding principle in the analysis of the formation of physiotherapists reveals limits and possibilities for training that meets the health needs of the population. Thus, the choices of educational institutions regarding the care model have an influence on health practices, as well as the commitment by management and services and the permeability to social control instances decisively contribute to the improvement in the training of future professionals. Thus, the commitment of all involved for the effective change in the training process of health paradigm is indispensable.

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The health paradigm, consolidated in the last century, directed the training of health professionals, educated under the aegis of the Flexnerian training, fragmentary and hospital-centered model. However, it proved to be insufficient to meet the demands of the Unified Health System and the population. In this sense, the National Curriculum Guidelines for Undergraduate health courses emerge as a normative framework in proposing a new professional profile, as well as the recommendation of strategies for the restructuring of curricula and teaching practices, and one of them is the teaching-service integration. Therefore, the aim of this study was to investigate the process of training of Physiotherapy course students of the Federal University of Paraíba with the guiding principle of teaching-service integration, considering DCN. In this sense, the chosen method was a case study with qualitative approach. The sample was intentional, including all faculty members of the permanent staff of the Department of Physiotherapy at UFPB, linked to curriculum components whose practice scenarios occur in the SUS network and time longer than one year in that component. The data collection technique was the semi-structured interview. Data analysis was performed using the content analysis technique. The following categories were considered: professional training for SUS, integration of students to the SUS network services, the relationship between theory and practice in the training of physiotherapists, teaching and health professional partnership in the teaching-learning process and programs of training reorientation and their integration with the course. The results allowed identifying positive points in the teaching-service integration: recognition of the importance of integration activities between university and health services based on the insertion of students in the network, the combined actuation with health service professionals and the opportunity to work in a multidisciplinary team; the existence of structured and organized School Network; participation of students and teachers in government programs that offer the experience of insertion in the labor market. The following weaknesses stood out: difficulties in agreement, planning and evaluation of activities by the service; gap between theoretical and practical activities; lack of definition of roles of teacher and health service professionals in the training process and the fragile relationship of reorientation of vocational training programs with the curricular activities of the course. The teaching-service integration as a guiding principle in the analysis of the formation of physiotherapists reveals limits and possibilities for training that meets the health needs of the population. Thus, the choices of educational institutions regarding the care model have an influence on health practices, as well as the commitment by management and services and the permeability to social control instances decisively contribute to the improvement in the training of future professionals. Thus, the commitment of all involved for the effective change in the training process of health paradigm is indispensable.

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Bi-magnetic core@shell nanoparticle has attracted attention several researchers because great applicability that they offer. The possibility of combining different functionalities of magnetic materials make them a key piece in many areas as in data processing permanent magnets and biomagnetics sistems. These nanoparticles are controlled by intrinsic properties of the core and shell materials as well as the interactions between them, besides size and geometry effects. Thus, it was developed in this thesis a theoretical study about dipolar interaction contribution between materials different magnetic properties in bi-magnetic core@shell nanoparticles conventional spherical geometry. The materials were analyzed CoFe2O4, MnFe2O4 e CoFe2 in various combinations and sizes. The results show that the impact of the core dipole field in the shell cause reverse magnetization early its, before of the core, in nanoparticle of CoFe2O4(22nm)@CoFe2(2nm), thereby causing a decrease coercivity field of 65% in comparection with simple nanoparticle of CoFe2O4 (HC=13.6 KOe) of same diameter. The large core anisotropy in conventional nanoparticle makes it the a stable dipolar field source in the shell, that varies length scale of the order of the core radius. Furthermore, the impact of dipolar field is greatly enhanced by the geometrical constraints and by magnetics properties of both core@shell materials. In systems with core coated with a thin shell of thickness less than the exchange length, the interaction interface can hold reversal the shell occurring an uniform magnetization reversal, however this effect only is relevant on systems where the dipole field effects is weak compared with the exchange interaction.

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Bi-magnetic core@shell nanoparticle has attracted attention several researchers because great applicability that they offer. The possibility of combining different functionalities of magnetic materials make them a key piece in many areas as in data processing permanent magnets and biomagnetics sistems. These nanoparticles are controlled by intrinsic properties of the core and shell materials as well as the interactions between them, besides size and geometry effects. Thus, it was developed in this thesis a theoretical study about dipolar interaction contribution between materials different magnetic properties in bi-magnetic core@shell nanoparticles conventional spherical geometry. The materials were analyzed CoFe2O4, MnFe2O4 e CoFe2 in various combinations and sizes. The results show that the impact of the core dipole field in the shell cause reverse magnetization early its, before of the core, in nanoparticle of CoFe2O4(22nm)@CoFe2(2nm), thereby causing a decrease coercivity field of 65% in comparection with simple nanoparticle of CoFe2O4 (HC=13.6 KOe) of same diameter. The large core anisotropy in conventional nanoparticle makes it the a stable dipolar field source in the shell, that varies length scale of the order of the core radius. Furthermore, the impact of dipolar field is greatly enhanced by the geometrical constraints and by magnetics properties of both core@shell materials. In systems with core coated with a thin shell of thickness less than the exchange length, the interaction interface can hold reversal the shell occurring an uniform magnetization reversal, however this effect only is relevant on systems where the dipole field effects is weak compared with the exchange interaction.