Cucurbituril Chemistry

了解分子如何相互作用以形成稳定的组装体是基本的科学兴趣，并且在药物开发、靶向和递送、新型响应/智能材料以及新型传感器的开发等领域具有潜在的应用。 在这种情况下，主体-客体复合物的形成是非常重要的，其中大的容器分子（主体）为较小分子（客体）的对接提供了欢迎空间。 Angel E.迈阿密大学的凯弗得到了美国国家科学基金会大分子、超分子和纳米化学项目的支持，研究一类重要的主体--葫芦脲--形成主客体复合物。 该项目为研究生、本科生和高中生（包括妇女和代表性不足群体的成员）提供研究机会。 通过这项研究，学生接受培训跨越化学的传统学科的界限。 葫芦脲主体是非常有吸引力的，因为它们在水介质中与合适的客体形成非常稳定的络合物。 本研究探索了以下途径：（1）使用葫芦脲作为复杂超分子体系的模块组件，包括至少两种类型的主体。 (2)合成功能化的葫芦脲作为活性成分，用于制备定义明确的超分子低聚物，以及对金属和金属氧化物纳米颗粒的表面进行修饰，赋予它们高亲和力的结合特性。(3)葫芦脲腔入口附近水微环境极性的电化学和EPR研究。(4)两种不同客体间的葫芦脲交换反应动力学，特别强调三元中间体的检测。

Understanding how molecules interact with each other to form stable assemblies is of fundamental scientific interest and has potential applications in fields as diverse as drug development, targeting and delivery, novel responsive/intelligent materials, and the development of new sensors. In this context, the formation of host-guest complexes, in which a large container molecule (the host) provides a welcoming space for the docking of a smaller molecule (the guest), is of great importance. Professor Angel E. Kaifer of the University of Miami is supported by the Macromolecular, Supramolecular and Nanochemistry Program at NSF to study the formation of host-guest complexes by an important class of hosts, known as the cucurbiturils. This project provides research opportunities to graduate, undergraduate, and high school students (including women and members of underrepresented groups). Through this research, students receive training across the boundaries of the traditional disciplines of chemistry. The cucurbituril hosts are very attractive because they form extremely stable complexes with suitable guests in aqueous media. This research explores the following avenues: (1) Use of cucurbiturils as modular components of complex supramolecular systems, including at least two types of hosts. (2) Synthesis of functionalized cucurbiturils as active components for the preparation of well-defined supramolecular oligomers, as well as modification of the surface of metal and metal oxide nanoparticles, endowing them with high-affinity binding properties. (3) Electrochemical and EPR investigation of the polarity of the aqueous microenvironments adjacent to the cucurbituril cavity entrances. (4) Kinetics of cucurbituril exchange reactions between two different guests, with particular emphasis on the detection of ternary intermediates.