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Issue 22, 2000
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Compositions and conformations of several transition metal complexes with a nonapeptide hormoneoxytocin

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Abstract

Similar co-ordination characteristics of oxytocin (OT) towards CuII, NiII, MnII and ZnII at different pH values have been demonstrated by electrospray mass spectrometry (ESMS) and rationalized by molecular mechanics simulation. At ca. pH 2 oxytocin does not interact with the metal ions; at pH 5 species with metal bound oxytocin were detected, including [OT + H+]+, [M + OT]2+, [M + OT − H+]+, [M + OT + ClO4 + H+]2+ and [M + OT + ClO4]+ and only stable 4N complexes were found at pH ≈ 9. Molecular modelling studies using the Universal force field (UFF ) showed that the four N-donor centers of oxytocin prefer the square planar geometry in complexes of NiII and MnII. For PdII, the Sγ(1) co-ordinated conformer was found to be more stable than the Sγ(6) co-ordinated one. Dramatic conformational changes occur upon oxytocin co-ordinating to NiII, MnII or PdII.

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Publication details

The article was received on 30 May 2000, accepted on 12 Sep 2000 and first published on 27 Oct 2000


Article type: Paper
DOI: 10.1039/B004254O
J. Chem. Soc., Dalton Trans., 2000, 4196-4200

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    Compositions and conformations of several transition metal complexes with a nonapeptide hormone oxytocin

    H. Wei, X. Luo, Y. Wu, Y. Yao, Z. Guo and L. Zhu, J. Chem. Soc., Dalton Trans., 2000, 4196
    DOI: 10.1039/B004254O

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