Electronic specific heat of an a3-helical polypeptide and its biochemical variants

Detalhes bibliográficos
Autor(a) principal: Bezerril, Leonardo Mafra
Data de Publicação: 2012
Outros Autores: Mendes, G. A., Albuquerque, Eudenilson Lins de, Fulco, Umberto Laico, Caetano, E. W. S., Freire, V. N.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFRN
Texto Completo: https://repositorio.ufrn.br/handle/123456789/30963
Resumo: We perform a theoretical study of the temperature dependent electronic specific heat at constant volume CV ðTÞ for a fibrous a3-helical polypeptide, which has the amino acid sequence (Leu-Glu-Thr-Leu-Ala-Lys- Ala)3, considering only its primary structure. We focus also on two different variants of the a3-helical polypeptide, namely those with (5Qa3 variant, mutation Ala5Gln) and without (7Qa3 variant, mutation Ala7Gln) fibrous assemblies. The energy spectra are calculated using a two-dimensional Schrödinger equation within a tight-binding approximation in which the isolated amino acid vertical ionization energy and the hopping terms are found using density functional theory computations
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spelling Bezerril, Leonardo MafraMendes, G. A.Albuquerque, Eudenilson Lins deFulco, Umberto LaicoCaetano, E. W. S.Freire, V. N.2020-12-11T16:13:37Z2020-12-11T16:13:37Z2012-07-23MENDES, G.A.; ALBUQUERQUE, E.L.; FULCO, U.L.; BEZERRIL, L.M.; CAETANO, E.W.s.; FREIRE, V.N.. Electronic specific heat of an α3-helical polypeptide and its biochemical variants. Chemical Physics Letters, [S.L.], v. 542, p. 123-127, jul. 2012. Disponível em: https://www.sciencedirect.com/science/article/pii/S0009261412006859?via%3Dihub. Acesso em: 16 out. 2020. http://dx.doi.org/10.1016/j.cplett.2012.06.015.0009-2614https://repositorio.ufrn.br/handle/123456789/3096310.1016/j.cplett.2012.06.015ElsevierAttribution 3.0 Brazilhttp://creativecommons.org/licenses/by/3.0/br/info:eu-repo/semantics/openAccessElectronic specific heata3-helical polypeptideBiochemical variantsElectronic specific heat of an a3-helical polypeptide and its biochemical variantsinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleWe perform a theoretical study of the temperature dependent electronic specific heat at constant volume CV ðTÞ for a fibrous a3-helical polypeptide, which has the amino acid sequence (Leu-Glu-Thr-Leu-Ala-Lys- Ala)3, considering only its primary structure. We focus also on two different variants of the a3-helical polypeptide, namely those with (5Qa3 variant, mutation Ala5Gln) and without (7Qa3 variant, mutation Ala7Gln) fibrous assemblies. 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dc.title.pt_BR.fl_str_mv Electronic specific heat of an a3-helical polypeptide and its biochemical variants
title Electronic specific heat of an a3-helical polypeptide and its biochemical variants
spellingShingle Electronic specific heat of an a3-helical polypeptide and its biochemical variants
Bezerril, Leonardo Mafra
Electronic specific heat
a3-helical polypeptide
Biochemical variants
title_short Electronic specific heat of an a3-helical polypeptide and its biochemical variants
title_full Electronic specific heat of an a3-helical polypeptide and its biochemical variants
title_fullStr Electronic specific heat of an a3-helical polypeptide and its biochemical variants
title_full_unstemmed Electronic specific heat of an a3-helical polypeptide and its biochemical variants
title_sort Electronic specific heat of an a3-helical polypeptide and its biochemical variants
author Bezerril, Leonardo Mafra
author_facet Bezerril, Leonardo Mafra
Mendes, G. A.
Albuquerque, Eudenilson Lins de
Fulco, Umberto Laico
Caetano, E. W. S.
Freire, V. N.
author_role author
author2 Mendes, G. A.
Albuquerque, Eudenilson Lins de
Fulco, Umberto Laico
Caetano, E. W. S.
Freire, V. N.
author2_role author
author
author
author
author
dc.contributor.author.fl_str_mv Bezerril, Leonardo Mafra
Mendes, G. A.
Albuquerque, Eudenilson Lins de
Fulco, Umberto Laico
Caetano, E. W. S.
Freire, V. N.
dc.subject.por.fl_str_mv Electronic specific heat
a3-helical polypeptide
Biochemical variants
topic Electronic specific heat
a3-helical polypeptide
Biochemical variants
description We perform a theoretical study of the temperature dependent electronic specific heat at constant volume CV ðTÞ for a fibrous a3-helical polypeptide, which has the amino acid sequence (Leu-Glu-Thr-Leu-Ala-Lys- Ala)3, considering only its primary structure. We focus also on two different variants of the a3-helical polypeptide, namely those with (5Qa3 variant, mutation Ala5Gln) and without (7Qa3 variant, mutation Ala7Gln) fibrous assemblies. The energy spectra are calculated using a two-dimensional Schrödinger equation within a tight-binding approximation in which the isolated amino acid vertical ionization energy and the hopping terms are found using density functional theory computations
publishDate 2012
dc.date.issued.fl_str_mv 2012-07-23
dc.date.accessioned.fl_str_mv 2020-12-11T16:13:37Z
dc.date.available.fl_str_mv 2020-12-11T16:13:37Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
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status_str publishedVersion
dc.identifier.citation.fl_str_mv MENDES, G.A.; ALBUQUERQUE, E.L.; FULCO, U.L.; BEZERRIL, L.M.; CAETANO, E.W.s.; FREIRE, V.N.. Electronic specific heat of an α3-helical polypeptide and its biochemical variants. Chemical Physics Letters, [S.L.], v. 542, p. 123-127, jul. 2012. Disponível em: https://www.sciencedirect.com/science/article/pii/S0009261412006859?via%3Dihub. Acesso em: 16 out. 2020. http://dx.doi.org/10.1016/j.cplett.2012.06.015.
dc.identifier.uri.fl_str_mv https://repositorio.ufrn.br/handle/123456789/30963
dc.identifier.issn.none.fl_str_mv 0009-2614
dc.identifier.doi.none.fl_str_mv 10.1016/j.cplett.2012.06.015
identifier_str_mv MENDES, G.A.; ALBUQUERQUE, E.L.; FULCO, U.L.; BEZERRIL, L.M.; CAETANO, E.W.s.; FREIRE, V.N.. Electronic specific heat of an α3-helical polypeptide and its biochemical variants. Chemical Physics Letters, [S.L.], v. 542, p. 123-127, jul. 2012. Disponível em: https://www.sciencedirect.com/science/article/pii/S0009261412006859?via%3Dihub. Acesso em: 16 out. 2020. http://dx.doi.org/10.1016/j.cplett.2012.06.015.
0009-2614
10.1016/j.cplett.2012.06.015
url https://repositorio.ufrn.br/handle/123456789/30963
dc.language.iso.fl_str_mv eng
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dc.rights.driver.fl_str_mv Attribution 3.0 Brazil
http://creativecommons.org/licenses/by/3.0/br/
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Attribution 3.0 Brazil
http://creativecommons.org/licenses/by/3.0/br/
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
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