CAS: Effective and Selective Sequestration of Functional Molecules with Baskets and Covalent Basket Cages

在化学系大分子，超分子和纳米化学（MSN）计划的支持下，俄亥俄州州立大学的Badjić教授研究了有效去除水系统中制药和农业废物的新方法。农药及其降解产物通过地表径流和地下水进入生物世界。此外，非法药物使用和过量流行正在上升，也在污染废物流。为了解决这些挑战，Badjić教授和他的团队正在制造杯形化合物，以捕获和清除我们水系统中的环境废物和/或非法药物。 在这个项目中，Badjić教授和他的团队使用计算和实验化学方法设计特定的分子结构。通过研究这些篮状分子，他扩展了对哪种分子结构在捕获有毒物质方面最有效的理解。Badjić教授向他的研究生和本科生提供培训和指导。 他还公开谈论社会中与环境和健康相关的问题，建议如何使用超分子化学来解决这些问题。该项目的第一个目标是设计、制备和研究与生物活性有机分子互补的复杂非生物宿主的作用模式。Badjić教授研究了重要药物和农药的封装，将氨基酸预先组织在手性ABC宿主的边缘，这些宿主在杯形空腔的顶部具有三种不同的氨基酸（A，B和C）。第二个目标是集中在审查手性分化的药物和除草剂与ABC篮和开发工具，指导螯合和清除过程。第三个目的，利用动态共价化学研究共价笼的制备及其与有机磷农药的结合。CBCs能以变构方式捕获四种有机磷化合物，从而有效地螯合这些有毒物质。该研究项目吸引了大量的大学生参与研究，并通过科学与工业中心向公众宣传基础科学在解决现实问题中的重要性。该奖项反映了NSF的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。

With support from the Macromolecular, Supramolecular and Nanochemistry (MSN) Program in the Division of Chemistry, Professor Badjić at the Ohio State University examines novel ways for effectively removing pharmaceutical and agricultural waste in our water systems. Through surface runoffs and ground water, pesticides and their degradation products find their way into the living world. Moreover, the illicit drug use and the overdose epidemic are on the rise and are also contaminating waste streams. To provide solutions to these challenges, Professor Badjić and his group are making cup-shaped compounds to trap and remove environmental waste and/or illicit drugs from our water systems. In this project, Professor Badjić and his group design specific molecular structures using computational and experimental chemistry methods. By studying these basket-shaped molecules, he expands the understanding of which molecular structures would be most effective in the capture of toxic species. Professor Badjić provides training and mentoring to his graduate and undergraduate students. He also gives public talk about environmental and health related problems in society, suggesting ways to use supramolecular chemistry to address these concerns.The first objective of this project is to design, prepare and study the mode of action of sophisticated abiotic hosts that are complementary to biologically-active organic molecules. With amino acids preorganized at the rim of chiral ABC hosts that have three different amino acids (A, B, and C) at top of a cup-shaped cavitand, Professor Badjić studies the encapsulation of important drugs and pesticides. The second objective is centered on scrutinizing chiral differentiation of pharmaceuticals and herbicides with ABC baskets and developing tools for directing the sequestration and removal processes. The third objective, use dynamic covalent chemistry to investigate the preparation of covalent basket cages (CBCs) and their binding of organophosphorus pesticides. CBCs could trap four organophosphorus compounds in an allosteric manner resulting in the effective sequestration of these toxic substances. The research project engages a large number of undergraduates in research and educates the general public (through the Center of Science and Industry) about the importance of basic science in solving real-world problems.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.