Cucurbituril Chemistry

了解分子如何相互作用以形成稳定的组装具有重要的科学意义，并在药物开发、靶向和递送、新型响应性/智能材料和新传感器的开发等领域具有潜在的应用。在这种背景下，主客体复合体的形成是非常重要的，其中一个大的容器分子(主体)为小分子(客体)的对接提供了一个欢迎空间。迈阿密大学的Angel E.Kaifer教授得到了NSF大分子、超分子和纳米化学计划的支持，研究一类重要的宿主形成的主客体复合体，即葫芦环。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，学生们接受了跨越传统化学学科界限的培训。葫芦脲的宿主非常有吸引力，因为它们在水介质中与合适的客人形成了非常稳定的络合物。本研究探索了以下途径：(1)将南瓜脲用作复杂超分子系统的模块组件，包括至少两种类型的宿主。(2)合成官能化的瓜环作为活性成分，用于制备明确的超分子低聚物，以及对金属和金属氧化物纳米颗粒进行表面修饰，使其具有高亲和力的结合性能。(3)用电化学和电子顺磁共振的方法研究了葫芦腔入口处附近水相微环境的极性。(4)两个不同客体之间的瓜环交换反应动力学，特别是三元中间体的检测。

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.