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

Bezerril, Leonardo Mafra; Mendes, G. A.; Albuquerque, Eudenilson Lins de; Fulco, Umberto Laico; Caetano, E. W. S.; Freire, V. N.

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

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dc.contributor.author	Bezerril, Leonardo Mafra
dc.contributor.author	Mendes, G. A.
dc.contributor.author	Albuquerque, Eudenilson Lins de
dc.contributor.author	Fulco, Umberto Laico
dc.contributor.author	Caetano, E. W. S.
dc.contributor.author	Freire, V. N.
dc.date.accessioned	2020-12-11T16:13:37Z
dc.date.available	2020-12-11T16:13:37Z
dc.date.issued	2012-07-23
dc.description.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	pt_BR
dc.identifier.citation	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.	pt_BR
dc.identifier.doi	10.1016/j.cplett.2012.06.015
dc.identifier.issn	0009-2614
dc.identifier.uri	https://repositorio.ufrn.br/handle/123456789/30963
dc.language	en	pt_BR
dc.publisher	Elsevier	pt_BR
dc.rights	Attribution 3.0 Brazil	*
dc.rights.uri	http://creativecommons.org/licenses/by/3.0/br/	*
dc.subject	Electronic specific heat	pt_BR
dc.subject	a3-helical polypeptide	pt_BR
dc.subject	Biochemical variants	pt_BR
dc.title	Electronic specific heat of an a3-helical polypeptide and its biochemical variants	pt_BR
dc.type	article	pt_BR