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Use este identificador para citar ou linkar para este item: http://repositorio.ufla.br/jspui/handle/1/33261
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Campo DCValorIdioma
dc.creatorPeraro, Cristian R.-
dc.creatorAnconi, Amanda C. S. A.-
dc.creatorAnconi, Cleber P. A.-
dc.date.accessioned2019-03-22T17:57:07Z-
dc.date.available2019-03-22T17:57:07Z-
dc.date.issued2018-01-16-
dc.identifier.citationPERARO, C. R.; ANCONI, A. C. S. A.; ANCONI, C. P. A. Formation of β-Cyclodextrin inclusion compound with doxycycline: a theoretical approach. Chemical Physics Letters, Amsterdam, v. 692, p. 140-145, 16 Jan. 2018.pt_BR
dc.identifier.urihttps://www.sciencedirect.com/science/article/pii/S000926141731103X#!pt_BR
dc.identifier.urihttp://repositorio.ufla.br/jspui/handle/1/33261-
dc.description.abstractRecently, the inclusion compound formed by doxycycline and modified CD was investigated. In the inclusion compound, the unstable site of doxycycline was protected by the hydrophobic CD cavity. However, the guest arrangement inside CD cavity has not identified. In some situations, the correlation between protons of the guest and host in a 2D-ROESY experiment can be compatible with head and tail spatial arrangements. In the present work, the most stable guest spatial arrangement for the inclusion of doxycycline into β-CD was evaluated at B97-D/6-311++(2d,p) level of theory. For sake of comparison, tetracycline inclusion compound was also studied.pt_BR
dc.languageen_USpt_BR
dc.publisherElsevierpt_BR
dc.rightsrestrictAccesspt_BR
dc.sourceChemical Physics Letterspt_BR
dc.subjectDoxycyclinept_BR
dc.subjectTetracyclinept_BR
dc.subjectDoxiciclinapt_BR
dc.subjectTetraciclinapt_BR
dc.titleFormation of β-Cyclodextrin inclusion compound with doxycycline: a theoretical approachpt_BR
dc.typeArtigopt_BR
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