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dc.contributor.authorXanthopoulou, M. N.en
dc.contributor.authorKourkoumelis, N.en
dc.contributor.authorHadjikakou, S. K.en
dc.contributor.authorHadjiliadis, N.en
dc.contributor.authorKubicki, M.en
dc.contributor.authorKarkabounas, S.en
dc.contributor.authorBakas, T.en
dc.date.accessioned2015-11-24T16:47:55Z-
dc.date.available2015-11-24T16:47:55Z-
dc.identifier.issn0277-5387-
dc.identifier.urihttps://olympias.lib.uoi.gr/jspui/handle/123456789/9254-
dc.rightsDefault Licence-
dc.subjectbioinorganic chemistryen
dc.subjectorgano-tin(iv) moleculesen
dc.subjects-ligands-heterocyclic thioamidesen
dc.subjectcrystal structuresen
dc.subjecthelical conformationen
dc.subjectlipoxygenase inhibitionen
dc.subjectcrystal-structuresen
dc.subjectcomplexesen
dc.subjectligandsen
dc.subject5-chloro-2-mercaptobenzothiazoleen
dc.subject2-mercaptobenzothiazoleen
dc.subjectthioamidesen
dc.subjectdensityen
dc.titleStructural and biological studies of organotin(IV) derivatives with 2-mercapto-benzoic acid and 2-mercapto-4-methyl-pyrimidineen
heal.typejournalArticle-
heal.type.enJournal articleen
heal.type.elΆρθρο Περιοδικούel
heal.identifier.primaryDOI 10.1016/j.poly.2008.07.030-
heal.identifier.secondary<Go to ISI>://000260717700021-
heal.identifier.secondaryhttp://ac.els-cdn.com/S0277538708004038/1-s2.0-S0277538708004038-main.pdf?_tid=7de1c331caedd705ad293145d75d7e82&acdnat=1333030330_a13bc39525aa7cc502a1853027010e08-
heal.languageen-
heal.accesscampus-
heal.recordProviderΠανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείαςel
heal.publicationDate2008-
heal.abstractFour organotin(IV) complexes with the heterocyclic thioamides 2-mercapto-4-methyl-pyrimidine hydrochloride (H2MPMT+Cl-, C5H7N2SCl) and 2-mercapto-benzoic acid (H(2)MBA, C7H6O2S), of the formulae [Ph3Sn(MPMT)] (1), [Me2Sn(MPMT)(2)] (2), {[(n-Bu)(2)Sn(MBA)](2)}(n) (3), already reported in the literature, and {[Me2Sn(MBA)](2)}n (4), with a different structure to the one already reported, have been used to study their influence upon the catalytic peroxidation of linoleic acid by the enzyme lipoxygenase (LOX). The IC50 values found lie in the range 20-30 mu M. The crystal structure of 4 was determined by X-ray diffraction at room temperature (293(2) K). The structure of 4 is polymeric and it consists of {[Me2Sn(MBA)](2)} dimeric building blocks in contrast to the complex of the same formula reported earlier which has a hexameric cyclic structure. Intermolecular Sn-O bonding interactions between these units in 4 lead to the formation of infinite chains with helical conformations. In addition the crystal structure of 3, previously reported with R = 9.9%, was now reduced to R = 6.1%. Comparison with the already reported hexanuclear macrocycle complexes {[(n-Bu)(2)Sn(MBA)](6)} (5) and {[Me2Sn(MBA)](6) H2O} (6) to the helical polymeric 3 and 4 was made. DFT calculations performed for the hexameric complex 6 and helical polymeric complex 4 have shown that the energy (Delta E) difference between the two polymeric and hexanuclear conformers is only 1.65 Kcal/mol. Finally, the crystal structure of complex 2, previously solved in the orthorhombic Cmc2(1) space group, was now solved in the monoclinic P2(1)/n space group. (C) 2008 Elsevier Ltd. All rights reserved.en
heal.publisherElsevieren
heal.journalNamePolyhedronen
heal.journalTypepeer reviewed-
heal.fullTextAvailabilityTRUE-
Appears in Collections:Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά). ΧΗΜ

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