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Investigation of Model BOC-Hydroxylamine/Metal Complexes via IRMPD Spectroscopy and DFT Modeling

机译:通过IRMPD光谱和DFT建模研究型BOC-羟胺/金属配合物的研究

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The IRMPD/DFT combination method has been used steadily in the recent years to study the interactions between metal ions and biomolecules [1-5]. The hydroxamate moiety, as seen below, has long been studied for its metal binding properties [6,7]. This functionality gives siderophores their iron binding properties, making Fe~(2+) more bioavailable and facilitating movement through cellular membranes [8]. In addition to iron, the hydroxamate binding propensity for heavy metals has led to increased research in the area of metal chelation therapy [9,10]. Past work from our group studied the binding of actinides, specifically the uranyl ion, to a trihydroxamate siderophore as a way to identify contamination levels at sites housing radioactive waste [11]. In the final chapter of this thesis, the focus will shift from metal-chlorate interactions to something with more biological relevance.
机译:近年来,IRMPD / DFT组合方法已稳步使用,以研究金属离子和生物分子之间的相互作用[1-5]。如下所示,羟肟酸酯部分已经研究了其金属结合性能[6,7]。该功能使其铁粘合性能赋予其铁粘合性能,使Fe〜(2+)更加生物可利用,并且通过细胞膜促进运动[8]。除了铁,对重金属的羟肟酸盐结合倾向导致了金属螯合疗法面积增加的研究[9,10]。我们群体的过去的工作研​​究了散落物,特别是铀酰离子的结合,以亚羟肟酸盐的载体,作为识别住房放射性废物的污染水平的方式[11]。在本论文的最后一章中,重点将从金属 - 氯酸盐相互作用转变为具有更多生物相关性的东西。

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