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

Bibliographic Details
Main Author: Bezerril, Leonardo Mafra
Publication Date: 2012
Other Authors: Mendes, G. A., Albuquerque, Eudenilson Lins de, Fulco, Umberto Laico, Caetano, E. W. S., Freire, V. N.
Format: Article
Language: eng
Source: Repositório Institucional da UFRN
dARK ID: ark:/41046/001300001xbx5
Download full: https://repositorio.ufrn.br/handle/123456789/30963
Summary: 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 Electronic specific heat of an a3-helical polypeptide and its biochemical variantsElectronic specific heata3-helical polypeptideBiochemical variantsWe 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 computationsElsevier2020-12-11T16:13:37Z2020-12-11T16:13:37Z2012-07-23info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfMENDES, 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.2012.06.015ark:/41046/001300001xbx5Attribution 3.0 Brazilhttp://creativecommons.org/licenses/by/3.0/br/info:eu-repo/semantics/openAccessBezerril, Leonardo MafraMendes, G. A.Albuquerque, Eudenilson Lins deFulco, Umberto LaicoCaetano, E. W. S.Freire, V. N.engreponame:Repositório Institucional da UFRNinstname:Universidade Federal do Rio Grande do Norte (UFRN)instacron:UFRN2020-12-13T08:02:03Zoai:repositorio.ufrn.br:123456789/30963Repositório InstitucionalPUBhttp://repositorio.ufrn.br/oai/repositorio@bczm.ufrn.bropendoar:2020-12-13T08:02:03Repositório Institucional da UFRN - Universidade Federal do Rio Grande do Norte (UFRN)false
dc.title.none.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.none.fl_str_mv 2012-07-23
2020-12-11T16:13:37Z
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
format article
status_str publishedVersion
dc.identifier.uri.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.
0009-2614
https://repositorio.ufrn.br/handle/123456789/30963
10.1016/j.cplett.2012.06.015
dc.identifier.dark.fl_str_mv ark:/41046/001300001xbx5
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
ark:/41046/001300001xbx5
url https://repositorio.ufrn.br/handle/123456789/30963
dc.language.iso.fl_str_mv eng
language eng
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.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:Repositório Institucional da UFRN
instname:Universidade Federal do Rio Grande do Norte (UFRN)
instacron:UFRN
instname_str Universidade Federal do Rio Grande do Norte (UFRN)
instacron_str UFRN
institution UFRN
reponame_str Repositório Institucional da UFRN
collection Repositório Institucional da UFRN
repository.name.fl_str_mv Repositório Institucional da UFRN - Universidade Federal do Rio Grande do Norte (UFRN)
repository.mail.fl_str_mv repositorio@bczm.ufrn.br
_version_ 1839178937822871552

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