Electronic specific heat of an a3-helical polypeptide and its biochemical variants
Autor(a) principal: | |
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Data de Publicação: | 2012 |
Outros Autores: | , , , , |
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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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. 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 computationsengreponame:Repositório Institucional da UFRNinstname:Universidade Federal do Rio Grande do Norte (UFRN)instacron:UFRNORIGINALElectronicSpecificHeat_Bezerril_2012.pdfElectronicSpecificHeat_Bezerril_2012.pdfapplication/pdf580672https://repositorio.ufrn.br/bitstream/123456789/30963/1/ElectronicSpecificHeat_Bezerril_2012.pdfa846dff9ddec1edc52177dac2b835f91MD51CC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; charset=utf-8914https://repositorio.ufrn.br/bitstream/123456789/30963/2/license_rdf4d2950bda3d176f570a9f8b328dfbbefMD52LICENSElicense.txtlicense.txttext/plain; charset=utf-81484https://repositorio.ufrn.br/bitstream/123456789/30963/3/license.txte9597aa2854d128fd968be5edc8a28d9MD53TEXTElectronicSpecificHeat_Bezerril_2012.pdf.txtElectronicSpecificHeat_Bezerril_2012.pdf.txtExtracted texttext/plain31851https://repositorio.ufrn.br/bitstream/123456789/30963/4/ElectronicSpecificHeat_Bezerril_2012.pdf.txt4e37a00510412ac7c05dd08dcec09431MD54THUMBNAILElectronicSpecificHeat_Bezerril_2012.pdf.jpgElectronicSpecificHeat_Bezerril_2012.pdf.jpgGenerated Thumbnailimage/jpeg1726https://repositorio.ufrn.br/bitstream/123456789/30963/5/ElectronicSpecificHeat_Bezerril_2012.pdf.jpgb19ed497e57a5c89930a1b5f9f32b833MD55123456789/309632020-12-13 05:02:03.756oai:https://repositorio.ufrn.br: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Repositório de PublicaçõesPUBhttp://repositorio.ufrn.br/oai/opendoar:2020-12-13T08:02:03Repositório Institucional da UFRN - Universidade Federal do Rio Grande do Norte (UFRN)false |
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 |
format |
article |
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 |
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 |
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Attribution 3.0 Brazil http://creativecommons.org/licenses/by/3.0/br/ |
eu_rights_str_mv |
openAccess |
dc.publisher.none.fl_str_mv |
Elsevier |
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Elsevier |
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Universidade Federal do Rio Grande do Norte (UFRN) |
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UFRN |
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UFRN |
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