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Thiolate containing N-heterocyclic amine based ligands; Investigations of intermediates in superoxide and oxygen reactivity and application towards new ligand design for modelling the active site of Superoxide Reductase.

机译：含有N-杂环胺基配体的硫醇盐；对超氧化物和氧反应性中间体的研究及其在新的配体设计中的应用，以模拟超氧化物还原酶的活性位点。

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Detoxication of superoxide (O2-) in anaerobic organisms is performed by the iron (Fe) containing metalloenzyme Superoxide Reductase (SOR) via reduction to hydrogenperoxide. To understand the mechanism involved and how small molecular changes affect the properties and reactivity of SOR model complexes [Fe(II)(SMe2N 4(6-H-DPPN))](PF6), [Fe(II)(SMe2N 4(2-QuinoEN))](PF6) and [Co(II)(SMe2 N4(6-Me-DPEN))](PF6) were used in an attempt to reproduce the functionality of SOR and to characterize intermediates of reactivity. Intermediates of reaction with (O2-) were investigated through spectroscopic analysis as well as reactivity with a variety of substrates. Geometric alterations resulted in the reversible binding of neutral solvent ligands to [Fe(II)(SMe2N 4(6-H-DPPN))](PF6). The thermodynamics of binding were studied. Based on these observations, new ligand designs incorporating steric bulk or electron donating substituents were proposed with the goal of stabilizing and isolating intermediate compounds.

机译：厌氧生物中的超氧化物（O2-）的脱毒是通过含铁（Fe）的金属酶超氧化物还原酶（SOR）通过还原为过氧化氢来完成的。要了解所涉及的机制以及小的分子变化如何影响SOR模型复合物[Fe（II）（SMe2N 4（6-H-DPPN））]（PF6），[Fe（II）（SMe2N 4（2） -QuinoEN））]（PF6）和[Co（II）（SMe2 N4（6-Me-DPEN））]（PF6）试图重现SOR的功能并表征反应性中间体。通过光谱分析以及与多种底物的反应性，研究了与（O2-）反应的中间体。几何变化导致中性溶剂配体与[Fe（II）（SMe2N 4（6-H-DPPN））]（PF6）的可逆结合。研究了结合的热力学。基于这些观察，提出了结合空间本体或给电子取代基的新配体设计，目的是稳定和分离中间体化合物。

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作者
Gleaves, Morgan.;
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作者单位

University of Washington.;

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授予单位 University of Washington.;
学科 Chemistry Inorganic.;Chemistry Biochemistry.
学位 Ph.D.
年度 2012
页码 104 p.
总页数 104
原文格式 PDF
正文语种 eng
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Thiolate containing N-heterocyclic amine based ligands; Investigations of intermediates in superoxide and oxygen reactivity and application towards new ligand design for modelling the active site of Superoxide Reductase.

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