On the hydrogen bonding between N-methylformamide and acetone and tetrahydrofuran

dc.contributorUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2014-12-03T13:11:51Z
dc.date.available2014-12-03T13:11:51Z
dc.date.created2014-12-03T13:11:51Z
dc.date.issued2014-04-15
dc.identifierChemical Physics. Amsterdam: Elsevier Science Bv, v. 434, p. 25-29, 2014.
dc.identifier0301-0104
dc.identifierhttp://hdl.handle.net/11449/113651
dc.identifier10.1016/j.chemphys.2014.02.013
dc.identifierWOS:000333449200005
dc.description.abstractLiquid 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.
dc.languageeng
dc.publisherElsevier B.V.
dc.relationChemical Physics
dc.relation1.707
dc.relation0,580
dc.rightsAcesso restrito
dc.sourceWeb of Science
dc.subjectPeptide bond
dc.subjectHydrogen bond
dc.subjectSolvent effects
dc.subjectConformational stability
dc.titleOn the hydrogen bonding between N-methylformamide and acetone and tetrahydrofuran
dc.typeArtículos de revistas


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