Computer simulation of nickel in blood-plasma following the in vitro investigations of complex formation chemistry with polyamine(amide) ligands

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dc.contributor.authorNomkoko, Edmund T
dc.contributor.authorJackson, Graham E
dc.contributor.authorNakani, Bandile S
dc.contributor.authorBourne, Susan A
dc.date.accessioned2016-01-20T10:16:50Z
dc.date.available2016-01-20T10:16:50Z
dc.date.issued2004
dc.date.updated2016-01-19T07:52:59Z
dc.description.abstractIn- and out-of-cell potentiometric techniques have been used to determine the formation constants for nickel(II) with 3,3,9,9-tetramethyl-4,8-diazaundecane-2,10-dione dioxime (L1), N,N′-bis(2-hydroxyiminopropionyl)propane-1,3-diamine (L2) and 1,15-bis(N,N-dimethyl)-5,11-dioxo-8-(N-benzyl)-1,4,8,12,15-pentaazapentadecane (L3) at 25 °C and an ionic strength of 0.15 mol dm−3. Nickel(II) forms stable complexes with L1 and L2 where square-planar [NiLH−1] and [NiLH−2] species predominate under alkaline conditions. The square-planar coordination of nickel by L1 has been confirmed by a single-crystal X-ray structure, UV/Vis spectrometry and molecular mechanics calculations of the [NiL1H−1] complex. The introduction of a third amine group into L3 dramatically decreases the ligand's ability to complex Ni(II). This results from a change in structure of the complex which decreases the ability of the metal ion to promote the dissociation of the amide protons. Using a model of blood plasma, the high binding ability of L1 towards Ni(II) is calculated to decrease the mobilisation of Cu(II) in plasma by approximately 65%. [CuL1H−1] is currently under investigation as an anti-inflammatory agent.en_ZA
dc.identifierhttp://dx.doi.org/10.1039/B405756M
dc.identifier.apacitationNomkoko, E. T., Jackson, G. E., Nakani, B. S., & Bourne, S. A. (2004). Computer simulation of nickel in blood-plasma following the in vitro investigations of complex formation chemistry with polyamine(amide) ligands. <i>Dalton Transactions</i>, http://hdl.handle.net/11427/16450en_ZA
dc.identifier.chicagocitationNomkoko, Edmund T, Graham E Jackson, Bandile S Nakani, and Susan A Bourne "Computer simulation of nickel in blood-plasma following the in vitro investigations of complex formation chemistry with polyamine(amide) ligands." <i>Dalton Transactions</i> (2004) http://hdl.handle.net/11427/16450en_ZA
dc.identifier.citationNomkoko, E. T., Jackson, G. E., Nakani, B. S., & Bourne, S. A. (2004). Computer simulation of nickel in blood-plasma following the in vitro investigations of complex formation chemistry with polyamine (amide) ligands. Dalton Transactions, (12), 1789-1796.en_ZA
dc.identifier.issn1477-9226en_ZA
dc.identifier.ris TY - Journal Article AU - Nomkoko, Edmund T AU - Jackson, Graham E AU - Nakani, Bandile S AU - Bourne, Susan A AB - In- and out-of-cell potentiometric techniques have been used to determine the formation constants for nickel(II) with 3,3,9,9-tetramethyl-4,8-diazaundecane-2,10-dione dioxime (L1), N,N′-bis(2-hydroxyiminopropionyl)propane-1,3-diamine (L2) and 1,15-bis(N,N-dimethyl)-5,11-dioxo-8-(N-benzyl)-1,4,8,12,15-pentaazapentadecane (L3) at 25 °C and an ionic strength of 0.15 mol dm−3. Nickel(II) forms stable complexes with L1 and L2 where square-planar [NiLH−1] and [NiLH−2] species predominate under alkaline conditions. The square-planar coordination of nickel by L1 has been confirmed by a single-crystal X-ray structure, UV/Vis spectrometry and molecular mechanics calculations of the [NiL1H−1] complex. The introduction of a third amine group into L3 dramatically decreases the ligand's ability to complex Ni(II). This results from a change in structure of the complex which decreases the ability of the metal ion to promote the dissociation of the amide protons. Using a model of blood plasma, the high binding ability of L1 towards Ni(II) is calculated to decrease the mobilisation of Cu(II) in plasma by approximately 65%. [CuL1H−1] is currently under investigation as an anti-inflammatory agent. DA - 2004 DB - OpenUCT DP - University of Cape Town J1 - Dalton Transactions LK - https://open.uct.ac.za PB - University of Cape Town PY - 2004 SM - 1477-9226 T1 - Computer simulation of nickel in blood-plasma following the in vitro investigations of complex formation chemistry with polyamine(amide) ligands TI - Computer simulation of nickel in blood-plasma following the in vitro investigations of complex formation chemistry with polyamine(amide) ligands UR - http://hdl.handle.net/11427/16450 ER - en_ZA
dc.identifier.urihttp://hdl.handle.net/11427/16450
dc.identifier.vancouvercitationNomkoko ET, Jackson GE, Nakani BS, Bourne SA. Computer simulation of nickel in blood-plasma following the in vitro investigations of complex formation chemistry with polyamine(amide) ligands. Dalton Transactions. 2004; http://hdl.handle.net/11427/16450.en_ZA
dc.languageengen_ZA
dc.publisherRoyal Society of Chemistryen_ZA
dc.publisher.departmentDepartment of Chemistryen_ZA
dc.publisher.facultyFaculty of Scienceen_ZA
dc.publisher.institutionUniversity of Cape Town
dc.sourceDalton Transactionsen_ZA
dc.source.urihttp://pubs.rsc.org/en/journals/journalissues/dt?e=1#!recentarticles&all
dc.titleComputer simulation of nickel in blood-plasma following the in vitro investigations of complex formation chemistry with polyamine(amide) ligandsen_ZA
dc.typeJournal Articleen_ZA
uct.subject.keywordsnickelen_ZA
uct.subject.keywordscomplex formation chemistryen_ZA
uct.subject.keywordspolyamine ligandsen_ZA
uct.type.filetypeText
uct.type.filetypeImage
uct.type.publicationResearchen_ZA
uct.type.resourceArticleen_ZA
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