Solitons em macromoléculas poliméricas helicoidais

Detalhes bibliográficos
Ano de defesa: 2012
Autor(a) principal: Veras, Diego Frankin de Souza
Orientador(a): Almeida, Carlos Alberto Santos de
Banca de defesa: Não Informado pela instituição
Tipo de documento: Dissertação
Tipo de acesso: Acesso aberto
Idioma: por
Instituição de defesa: Não Informado pela instituição
Programa de Pós-Graduação: Não Informado pela instituição
Departamento: Não Informado pela instituição
País: Não Informado pela instituição
Palavras-chave em Português:
Link de acesso: http://www.repositorio.ufc.br/handle/riufc/13678
Resumo: One of the challenges of Theoretical Physics is the attempt of exploring how its concepts and techniques can be applied to Biology to describe the dynamics of living matter. The complexity of the structure and organization of biological systems leads to nonlinear effects where manifestations of solitonic mechanisms are possible. An attractive way to study the propagation of vibrational energy in biopolymers such as proteins, is based on nonlinear lattices models. In the decade 1970, Davidov suggested that intramolecular vibrations modes in protein are related with interactions in the deformation of its structure and propagate along the polypeptide chain with constant velocity. This is a behavior of solitary waves (solutions of certain classes of non-linear wave equations). The basic models used to study the nonlinear dynamics of macromolecular polymer works with onedimensional anharmonic lattices. However, these molecules are three dimensional and is necessary to take into account not only longitudinal displacements but also transverse displacements of the chain. Based on the fact that, on the ground state, a macromolecular polymer takes a helical shape, we study a physical model that describes the nonlinear dynamics of polymers, in particular for a alpha-helical protein, treating with interactions between monomers of different helix, which is responsible for stabilizing the molecule’s spiral geometry. The numerical solutions of the dynamical equations obtained for this chain show that the model supports soliton solutions. We yet analyze the acceptable values of the free parameters for these solutions to exist. We show how the solutions represent a twist in the molecule and how their dynamics describes the propagation of twist along the protein chain.
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spelling Veras, Diego Frankin de SouzaAlmeida, Carlos Alberto Santos de2015-10-21T20:39:53Z2015-10-21T20:39:53Z2012VERAS, D. F. S. Solitons em macromoléculas poliméricas helicoidais. 2012. 79 f. Dissertação (Mestrado em Física) - Centro de Ciências, Universidade Federal do Ceará, Fortaleza, 2012.http://www.repositorio.ufc.br/handle/riufc/13678One of the challenges of Theoretical Physics is the attempt of exploring how its concepts and techniques can be applied to Biology to describe the dynamics of living matter. The complexity of the structure and organization of biological systems leads to nonlinear effects where manifestations of solitonic mechanisms are possible. An attractive way to study the propagation of vibrational energy in biopolymers such as proteins, is based on nonlinear lattices models. In the decade 1970, Davidov suggested that intramolecular vibrations modes in protein are related with interactions in the deformation of its structure and propagate along the polypeptide chain with constant velocity. This is a behavior of solitary waves (solutions of certain classes of non-linear wave equations). The basic models used to study the nonlinear dynamics of macromolecular polymer works with onedimensional anharmonic lattices. However, these molecules are three dimensional and is necessary to take into account not only longitudinal displacements but also transverse displacements of the chain. Based on the fact that, on the ground state, a macromolecular polymer takes a helical shape, we study a physical model that describes the nonlinear dynamics of polymers, in particular for a alpha-helical protein, treating with interactions between monomers of different helix, which is responsible for stabilizing the molecule’s spiral geometry. The numerical solutions of the dynamical equations obtained for this chain show that the model supports soliton solutions. We yet analyze the acceptable values of the free parameters for these solutions to exist. We show how the solutions represent a twist in the molecule and how their dynamics describes the propagation of twist along the protein chain.Um dos desafios da Física Teórica é a tentativa de explorar como seus conceitos e técnicas podem ser aplicados à Biologia para descrever a dinâmica da matéria viva. A complexidade da estrutura e organização dos sistemas biológicos conduz a efeitos não-lineares onde é possível a manifestação de mecanismos solitônicos. Uma forma atrativa de se estudar a propagação de energia vibracional em biopolímeros, tais como proteínas, é baseada em modelos de redes não-lineares. Na década de 1970, Davidov sugeriu que os modos de vibrações intramoleculares de uma proteína estão relacionados às interações presentes nas deformações de sua estrutura e propagam ao longo da cadeia polipeptídica com velocidade constante. Este é um comportamento de ondas solitárias (soluções de certas classes de equações de onda não-lineares). Os modelos básicos utilizados para se estudar a dinâmica não linear de macromoléculas poliméricas trabalham com redes anarmônicas unidimensionais. No entanto, tais moléculas são tridimensionais e é necessário levar em conta não apenas deslocamentos longitudinais mas também deslocamentos transversais à cadeia. Com base no fato de que, no estado fundamental, uma macromolécula polimérica assume a forma de uma hélice, estudamos um modelo físico que descreve a dinâmica não linear de polímeros, em particular, para uma proteína alfa-hélice, tratando com interações entre monômeros de diferentes ciclos da hélice, responsáveis por estabilizar a geometria espiral da molécula. As soluções numéricas das equações dinâmicas obtidas para esta cadeia mostram que o modelo suporta soluções do tipo sóliton. Analizamos ainda quais os valores aceitáveis dos parâmetros livres para que estas soluções existam. Mostramos de que forma os sólitons representam uma torção na molécula e como suas dinâmicas descrevem a propagação desta torção ao longo da cadeia protéica.Física de partículas elementares e camposSólitonsDinâmica não-linearCadeias poliméricasSolitons em macromoléculas poliméricas helicoidaisinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/masterThesisporreponame:Repositório Institucional da Universidade Federal do Ceará (UFC)instname:Universidade Federal do Ceará (UFC)instacron:UFCinfo:eu-repo/semantics/openAccessLICENSElicense.txtlicense.txttext/plain; charset=utf-81786http://repositorio.ufc.br/bitstream/riufc/13678/2/license.txt8c4401d3d14722a7ca2d07c782a1aab3MD52ORIGINAL2012_dis_dfsveras.pdf2012_dis_dfsveras.pdfapplication/pdf1461424http://repositorio.ufc.br/bitstream/riufc/13678/1/2012_dis_dfsveras.pdfe03cd018aa0d13ccd561b6569912d54eMD51riufc/136782018-12-21 16:09:56.291oai:repositorio.ufc.br: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Repositório InstitucionalPUBhttp://www.repositorio.ufc.br/ri-oai/requestbu@ufc.br || repositorio@ufc.bropendoar:2018-12-21T19:09:56Repositório Institucional da Universidade Federal do Ceará (UFC) - Universidade Federal do Ceará (UFC)false
dc.title.pt_BR.fl_str_mv Solitons em macromoléculas poliméricas helicoidais
title Solitons em macromoléculas poliméricas helicoidais
spellingShingle Solitons em macromoléculas poliméricas helicoidais
Veras, Diego Frankin de Souza
Física de partículas elementares e campos
Sólitons
Dinâmica não-linear
Cadeias poliméricas
title_short Solitons em macromoléculas poliméricas helicoidais
title_full Solitons em macromoléculas poliméricas helicoidais
title_fullStr Solitons em macromoléculas poliméricas helicoidais
title_full_unstemmed Solitons em macromoléculas poliméricas helicoidais
title_sort Solitons em macromoléculas poliméricas helicoidais
author Veras, Diego Frankin de Souza
author_facet Veras, Diego Frankin de Souza
author_role author
dc.contributor.author.fl_str_mv Veras, Diego Frankin de Souza
dc.contributor.advisor1.fl_str_mv Almeida, Carlos Alberto Santos de
contributor_str_mv Almeida, Carlos Alberto Santos de
dc.subject.por.fl_str_mv Física de partículas elementares e campos
Sólitons
Dinâmica não-linear
Cadeias poliméricas
topic Física de partículas elementares e campos
Sólitons
Dinâmica não-linear
Cadeias poliméricas
description One of the challenges of Theoretical Physics is the attempt of exploring how its concepts and techniques can be applied to Biology to describe the dynamics of living matter. The complexity of the structure and organization of biological systems leads to nonlinear effects where manifestations of solitonic mechanisms are possible. An attractive way to study the propagation of vibrational energy in biopolymers such as proteins, is based on nonlinear lattices models. In the decade 1970, Davidov suggested that intramolecular vibrations modes in protein are related with interactions in the deformation of its structure and propagate along the polypeptide chain with constant velocity. This is a behavior of solitary waves (solutions of certain classes of non-linear wave equations). The basic models used to study the nonlinear dynamics of macromolecular polymer works with onedimensional anharmonic lattices. However, these molecules are three dimensional and is necessary to take into account not only longitudinal displacements but also transverse displacements of the chain. Based on the fact that, on the ground state, a macromolecular polymer takes a helical shape, we study a physical model that describes the nonlinear dynamics of polymers, in particular for a alpha-helical protein, treating with interactions between monomers of different helix, which is responsible for stabilizing the molecule’s spiral geometry. The numerical solutions of the dynamical equations obtained for this chain show that the model supports soliton solutions. We yet analyze the acceptable values of the free parameters for these solutions to exist. We show how the solutions represent a twist in the molecule and how their dynamics describes the propagation of twist along the protein chain.
publishDate 2012
dc.date.issued.fl_str_mv 2012
dc.date.accessioned.fl_str_mv 2015-10-21T20:39:53Z
dc.date.available.fl_str_mv 2015-10-21T20:39:53Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/masterThesis
format masterThesis
status_str publishedVersion
dc.identifier.citation.fl_str_mv VERAS, D. F. S. Solitons em macromoléculas poliméricas helicoidais. 2012. 79 f. Dissertação (Mestrado em Física) - Centro de Ciências, Universidade Federal do Ceará, Fortaleza, 2012.
dc.identifier.uri.fl_str_mv http://www.repositorio.ufc.br/handle/riufc/13678
identifier_str_mv VERAS, D. F. S. Solitons em macromoléculas poliméricas helicoidais. 2012. 79 f. Dissertação (Mestrado em Física) - Centro de Ciências, Universidade Federal do Ceará, Fortaleza, 2012.
url http://www.repositorio.ufc.br/handle/riufc/13678
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