Please use this identifier to cite or link to this item: https://olympias.lib.uoi.gr/jspui/handle/123456789/9745
Full metadata record
DC FieldValueLanguage
dc.contributor.authorTroganis, A.en
dc.contributor.authorGerothanassis, I. P.en
dc.contributor.authorAthanassiou, Z.en
dc.contributor.authorMavromoustakos, T.en
dc.contributor.authorHawkes, G. E.en
dc.contributor.authorSakarellos, C.en
dc.date.accessioned2015-11-24T16:51:32Z-
dc.date.available2015-11-24T16:51:32Z-
dc.identifier.issn0006-3525-
dc.identifier.urihttps://olympias.lib.uoi.gr/jspui/handle/123456789/9745-
dc.rightsDefault Licence-
dc.subjecthydrationen
dc.subjectcis/trans isomerismen
dc.subjectgradient enhanced h-1-nmren
dc.subjectc-13-nmren
dc.subjectnoeen
dc.subjectmolecular dynamicsen
dc.subjectenthalpyen
dc.subjectentropyen
dc.subjectmagnetic-resonanceen
dc.subjectfree-energiesen
dc.subjectmultidimensional nmren
dc.subjectprotein hydrationen
dc.subjectsolid-stateen
dc.subjectpeptideen
dc.subjectwateren
dc.subjectconformationsen
dc.subjectrequirementsen
dc.subjectdistancesen
dc.titleThermodynamic origin of cis/trans isomers of a proline-containing beta-turn model dipeptide in aqueous solution: A combined variable temperature H-1-NMR, two-dimensional H-1,H-1 gradient enhanced nuclear Overhauser effect spectroscopy (NOESY), one-dimensional steady-state intermolecular C-13,H-1 NOE, and molecular dynamics studyen
heal.typejournalArticle-
heal.type.enJournal articleen
heal.type.elΆρθρο Περιοδικούel
heal.identifier.primaryDoi 10.1002/(Sici)1097-0282(200001)53:1<72::Aid-Bip7>3.0.Co;2-5-
heal.identifier.secondary<Go to ISI>://000084335200007-
heal.identifier.secondaryhttp://onlinelibrary.wiley.com/store/10.1002/(SICI)1097-0282(200001)53:1<72::AID-BIP7>3.0.CO;2-5/asset/7_ftp.pdf?v=1&t=hmn3kxpc&s=2ab5069f75ec5fce378b0315518e821572d40b0d-
heal.languageen-
heal.accesscampus-
heal.recordProviderΠανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείαςel
heal.publicationDate2000-
heal.abstract(H2O) C-13, H-1 NOE indicates that the water accessibility of the acetyl carbonyl carbons is nearly the same for both isomers. This is consistent with rapid fluctuations of the conformational ensemble and the absence of a highly shielded acetyl oxygen from the bulk solvent. Variable temperature H-1-nmr studies of the cis/trans conformational equilibrium indicate that the trans form is enthalpically favored (Delta H degrees = -5.14 KJ mole(-1)) and entropically (Delta S degrees = -5.47 J . K-1 mole(-1)) disfavored relative to the cis form. This demonstrates that, in the absence of strongly stabilizing sequence-specific interresidue interactions involving side chains and/or charged terminal groups, the thermodynamic difference of the cis/trans isomers is due to the combined effect of intramolecular and intermolecular (hydration) induced conformational changes. (C) 2000 John Wiley & Sons, Inc.en
heal.publisherWiley-Blackwellen
heal.journalNameBiopolymersen
heal.journalTypepeer reviewed-
heal.fullTextAvailabilityTRUE-
Appears in Collections:Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά). ΧΗΜ

Files in This Item:
File Description SizeFormat 
Troganis-2000-Thermodynamic origin.pdf178.06 kBAdobe PDFView/Open    Request a copy


This item is licensed under a Creative Commons License Creative Commons