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Rational design of ion-pair receptors for selective binding of hazardous salts

选择性结合有害盐的离子对受体的合理设计

基本信息

批准号：
391416132
负责人：
Dr. Johannes Hunger
金额：
--
依托单位：
Max-Planck-Institut für Polymerforschung
依托单位国家：
德国
项目类别：
Research Grants
财政年份：
2018
资助国家：
德国
起止时间：
2017-12-31 至 2021-12-31
项目状态：
已结题

来源：
https://gepris.dfg.de/gepris/projekt/391416132?language=en
关键词：
Rational design ion pair receptors

项目摘要

Ion-pair receptors, i.e. molecules with disparate binding sites for a cation and an anion, have emerged as efficient materials for binding salts. The ability of binding an electroneutral ion-pair renders ion-pair receptors promising candidates for waste purification applications. Despite the advances in synthesis of such receptor molecules, a rational design of the receptors, demonstration of their function, and their application for a sustainable removal of ions has remained challenging. These challenges are related to both the absence of stringent structure-function relationships and to challenges in obtaining direct experimental evidence for the receptor-mediated ion-pair formation. Here we propose a collaborative synthetic-chemical and physico-chemical study of ion-pair formation mediated via ion-pair receptors. Using the electrical dipole moment - an intrinsic property of ion-pairs - we will provide direct evidence for receptor mediated ion-pairing. Via systematic variation of the cation, the anion, and the receptor and simultaneous spectroscopic determination of the ion-pair formation in solution, the proposed study aims at deriving general structure-function relationships. Such information will allow predicting the binding efficiency and selectivity of ion-pair receptors and thus initiate a transition from trial-and-error approaches towards a rational design of task-specific receptor molecules. The obtained relationships will be used to predict and test the optimum receptor structure for binding two prototypical toxic salts, thallium chloride and sodium arsenate. Finally, we will functionalize a polymer resin with the optimum receptor structure and test its application for selective removal of hazardous salts.

离子对受体，即具有不同阳离子和阴离子结合位点的分子，已成为结合盐的有效材料。结合电中性离子对的能力使离子对受体成为废物净化应用的有希望的候选者。尽管这种受体分子的合成取得了进展，但受体的合理设计，其功能的演示以及它们在可持续去除离子方面的应用仍然具有挑战性。这些挑战与缺乏严格的结构-功能关系以及获得受体介导的离子对形成的直接实验证据的挑战有关。在这里，我们提出了离子对受体介导的离子对形成的合成化学和物理化学协同研究。利用电偶极矩-离子对的固有特性-我们将为受体介导的离子配对提供直接证据。通过对阳离子、阴离子和受体的系统变化以及对溶液中离子对形成的同步光谱测定，本研究旨在推导出一般的结构-功能关系。这些信息将允许预测离子对受体的结合效率和选择性，从而启动从试错方法到合理设计特定任务受体分子的过渡。所获得的关系将用于预测和测试结合两种典型毒性盐，氯化铊和砷酸钠的最佳受体结构。最后，我们将功能化具有最佳受体结构的聚合物树脂，并测试其在选择性去除有害盐方面的应用。