Reactive intermediates in zeolites and solution

该计划旨在研究沸石在开发新型和令人兴奋的主体/客体系统中的应用。 沸石是由开放的骨架结构（空隙空间）组成的有趣且通用的结晶铝硅酸盐材料。对于许多沸石，空隙空间是分子尺寸的，并且可以填充有各种各样的有机客体分子。 Zeolite提供了一个刚性的，明确定义的和热稳定的主机环境，具有容易调节的特性。该化学反应是通过将光化学不稳定的客体分子掺入沸石骨架内来进行的。 然后使主体/客体系统经受脉冲激光，其中从光化学不稳定的客体分子产生反应性中间体。目前的建议侧重于三个主要领域，每个领域都有一个具体和适用的目标。1.研究沸石分子筛是否能为简单有机分子的非共振双光子吸收提供合适的基质材料。这项工作可能会导致与光动力疗法有关的药物的分子特性增强。2. 研究沸石是否能提供一种合适的基质材料，用于产生作为抗菌剂的单线态氧。这项研究可能会导致一种新的方法来减少有害细菌在某些聚合物表面的生长。 3. 研究分子筛骨架中高活性羟基自由基和其它活性氧自由基的动力学性质。 这一工作将对沸石/有机复合材料降解有害环境污染物的发展产生直接影响。 第四个领域是开发一种新的模型来预测一类生物相关反应的结果。 这个解决方案的项目将涉及研究电离反应（键断裂）的自由基与离去基团邻近的自由基中心。由于高强度飞秒激光系统的利用所需的先进技能，一名博士后研究员将领导双光子项目，另外三个项目将分别分配三名研究生。 五名本科研究生将协助这些项目。

The program is to investigate the use of zeolites in the development of novel and exciting host/guest systems. Zeolites are interesting and versatile crystalline aluminosilicate materials made up of an open framework structure (void spaces). For a number of zeolites the void spaces are in the molecular dimensions and can be filled with a wide variety of organic guest molecules. Zeolites provide a rigid, well defined and thermally stable host environment with readily tunable characteristics. The chemistry is carried out by incorporating a photochemically labile guest molecule within the zeolite framework. The host/guest system is then subjected to pulsed laser light where a reactive intermediate is generated from the photochemically labile guest molecule. This current proposal focuses on three main areas, each with a specific and applicable goal. 1. To investigate whether zeolites will provide a suitable host material to carry out non-resonant two-photon absorption for simple organic molecules. This work may lead to enhanced molecular properties for drugs involved with photodynamic therapy. 2. To investigate whether zeolites will provide a suitable host material for the generation of singlet oxygen to act as an antimicrobial agent. This research may lead to a novel way to reduce the growth of harmful bacteria on some polymer surfaces. 3. To investigate the kinetic properties of the highly reactive hydroxyl radical and other reactive oxygen radicals generated within the zeolite framework. This work will have a direct impact on the development of zeolite/organic composite materials for the degradation of unwanted environmental pollutants. A fourth area is to develop a novel model to predict the outcome of a class of biologically relevant reactions. This solution project will involve studying the ionization reaction (bond cleavage) of radicals with a leaving group adjacent to the radical center. A postdoctoral researcher will be the lead on the two-photon project due to the advanced skills necessary for the utilization of the high intensity femtosecond laser system and three graduate students will be assigned to each of the other three projects. Five undergraduate research students will assist these projects.