On the hydrogen bonding between N-methylformamide and acetone and tetrahydrofuran
Carregando...
Fonte externa
Fonte externa
Data
Orientador
Coorientador
Pós-graduação
Curso de graduação
Título da Revista
ISSN da Revista
Título de Volume
Editor
Elsevier B.V.
Tipo
Artigo
Direito de acesso
Acesso restrito
Fonte externa
Fonte externa
Resumo
Liquid mixtures of N-methylformamide (NMF)-acetone (ACT) and NMF-tetrahydrofuran (THF) 20 mol% NMF have been investigated using Monte Carlo simulations, aiming to obtain new details on the hydrogen bonding donation of the peptide bond in non-aqueous media. There are strong evidences of the H-bonding between NMF and each of the solvents, but the results indicate significant differences between the H-bond interactions in each mixture. THF solvates better the amide than ACT. The NMF-THF H-bonds are more directed and the structure of the solvation shell is much more ordered in the NMF-THF mixture than in the NMF-ACT one. (C) 2014 Elsevier B. V. All rights reserved.
Descrição
Palavras-chave
Peptide bond, Hydrogen bond, Solvent effects, Conformational stability
Idioma
Inglês
Citação
Chemical Physics. Amsterdam: Elsevier Science Bv, v. 434, p. 25-29, 2014.
