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dc.contributor.authorLouloudi, M.en
dc.contributor.authorHadjiliadis, N.en
dc.contributor.authorButler, I. S.en
dc.date.accessioned2015-11-24T16:47:34Z-
dc.date.available2015-11-24T16:47:34Z-
dc.identifier.issn0300-9246-
dc.identifier.urihttps://olympias.lib.uoi.gr/jspui/handle/123456789/9205-
dc.rightsDefault Licence-
dc.subjectnuclear-magnetic-resonanceen
dc.subjectmolecular-structureen
dc.subjectcrystal-structureen
dc.subjectc-13 nmren
dc.subjectchloride hydrochlorideen
dc.subjectstereochemistryen
dc.subjectmercury(ii)en
dc.subjectvitamin-b1en
dc.subjectcatalysisen
dc.titleSolution Versus Solid-State Conformation of Group-12 Metal-Complexes of Active Aldehyde Derivatives of Thiamineen
heal.typejournalArticle-
heal.type.enJournal articleen
heal.type.elΆρθρο Περιοδικούel
heal.identifier.primaryDoi 10.1039/Dt9920001401-
heal.identifier.secondary<Go to ISI>://A1992HQ62000011-
heal.identifier.secondaryhttp://pubs.rsc.org/en/Content/ArticleLanding/1992/DT/dt9920001401-
heal.languageen-
heal.accesscampus-
heal.recordProviderΠανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείαςel
heal.publicationDate1992-
heal.abstractMolar conductances in water and dimethylformamide and C-13 NMR spectra in D2O and (CD3)2SO solutions and solid-state C-13 cross polarization magic angle spinning NMR spectra have been measured for the chloride salts of 2-(alpha-hydroxybenzyl)thiamine (hbt), 2-(alpha-hydroxycyclohexylmethyl)-thiamine (hcmt), their protonated forms [hbt]Cl.HCl and [hcmt]Cl.HCl and zwitterionic complexes of the type [M(hbt)Cl3] and [M(hcmt)Cl3] (M = Zn, Cd or Hg). The data affords good evidence for bonding of the metals to the N(1') atom of the pyrimidine moieties in the ligands, as well as of the S conformation of the ligands in solution. The small chemical shifts observed for the carbon atoms situated adjacent to the N(1') site [C(2'), C(6') and 2'-CH3] in the solid-state and solution C-13 NMR spectra of the complexes are attributed to the synergic interaction of metal complexation which causes a downfield shift and the accumulation of negative charge at the same position due to [MCl3]- which leads to an opposing upfield shift. The Hg-199 NMR spectra of [Hg(hbt)Cl3] and [Hg(hcmt)Cl3] in (CD3)2SO further substantiate these conclusions. Overall, the results strongly support earlier suggestions for the role of metal ions in the enzymatic action of thiamine.en
heal.journalNameJournal of the Chemical Society-Dalton Transactionsen
heal.journalTypepeer reviewed-
heal.fullTextAvailabilityTRUE-
Appears in Collections:Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά). ΧΗΜ

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