RUI: Synthesis and Host-Guest Studies of Face-Capped Metal-Organic Cages

在化学系大分子、超分子和纳米化学(MSN)计划的支持下，兰道夫-梅肯学院(RMC)的Thoburn教授正在研究小分子如何自发地自组装成更大的复合体。具体地说，他正在建造立方形容器形状的分子，可以封装其他分子。潜在的应用包括将它们用作胶囊，将药物输送到靶器官，在那里它们可以被选择性地释放。为了实现这种应用，索伯恩教授和他的本科生团队正在研究这些分子立方体的潜在化学反应。他们解决了一些问题，比如分子立方体如何关闭和打开以捕捉和释放它们的客体分子，以及客体如何被用来探测立方体的内部结构。除了科学进步，这个项目还具有许多更广泛的社会影响，包括与剑桥大学发展国际合作，为本科生在科学方面的高级工作做准备，以及为经济困难的高中生在STEM的职业生涯做准备。Thoburn教授正在研究Fe8II(卟啉)6金属-有机分子立方体如何包裹像冠烯这样的大客人，以及冠烯如何在立方体内重新定向。为了进一步探索主客体之间的相互作用，Thoburn教授正在合成能够与嵌入在立方体的卟啉表面的锌离子配位的四氰基偶氮烯。将这些缺电子的四氰基偶氮烯与富电子的环噻吩共包裹，可以生成由分子立方体稳定的电荷转移三元化合物。为了使这些金属立方体更适合更广泛的应用，Thoburn教授正在添加聚乙二醇链来增加它们的溶解度。他与里士满社区高中(RCHS)合作，指导来自经济和社会贫困背景的准备上大学的高中生。兰道夫-梅肯大学的本科生也帮助指导RCHS的学生。此外，RMC的学生有机会在剑桥大学进行研究，在那里他们使用RMC没有的资源学习新技术。所有这些经验帮助这些学生准备化学和科学职业方面的研究生课程。这一奖项反映了NSF的法定使命，并通过使用基金会的智力优势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 Thoburn at Randolph-Macon College (RMC) is studying how small molecules can spontaneously self-assemble into larger complexes. Specifically, he is building molecules in the shape of cubic containers that can encapsulate other molecules. Potential applications include their use as capsules for the delivery of drugs to target organs, where they can be selectively released. To realize such applications, Professor Thoburn and his team of undergraduate students are studying the underlying chemical reactions of these molecular cubes. They address questions such as how the molecular cubes close and open to catch and release their guest molecules, and how the guests can be used to probe the interior structure of the cube. In addition to scientific advancements, this project features a number of broader societal impacts including the development of an international collaboration with Cambridge University, the preparation of undergraduate students for advanced work in science, and the preparation of economically-disadvantaged high school students for careers in STEM.Professor Thoburn is investigating how an Fe8II(Porphyrin)6 metal-organic molecular cube encapsulates large guests such as coronene and how the coronene re-orients within the cube. To further probe the host-guest interactions, Professor Thoburn is synthesizing tetracyanoazulene, which is capable of coordinating to Zn2+ ions embedded in the porphyrin faces of the cube. Co-encapsulation of these electron-deficient tetracyanoazulenes with electron-rich cyclic thiophenes can create charge-transfer triads stabilized by the molecular cube. To make these metallocubes more amenable to broader applications, Professor Thoburn is appending polyethylene glycol chains increase their solubility. He is partnering with Richmond Community High School (RCHS) to mentor college-bound high school students from economically and socially disadvantaged backgrounds. Randolph-Macon undergraduate students also help mentor the RCHS students. Additionally, the RMC students have the opportunity to conduct research at Cambridge University where they learn new techniques using resources not available at RMC. All of these experiences help these students prepare for graduate programs in chemistry and careers in science.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.