Reactive intermediates in zeolites and solution

该计划旨在研究沸石在开发新颖而令人兴奋的主/客系统中的使用。沸石是一种有趣且用途广泛的晶体铝硅酸盐材料，由一个开放的框架结构（空隙）组成。对于许多沸石，孔隙空间在分子尺度上，可以被各种各样的有机客体分子填充。沸石提供了一个刚性的、定义良好的、热稳定的宿主环境，具有易于调节的特性。化学是通过在沸石框架内加入光化学不稳定的客体分子来进行的。然后将主/客体系统置于脉冲激光下，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. 探讨沸石能否成为简单有机分子进行非共振双光子吸收的合适载体材料。这项工作可能会提高参与光动力治疗的药物的分子特性。2. 探讨沸石是否为生成单线态氧提供了合适的宿主材料。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. 研究在沸石骨架内产生的高活性羟基自由基和其他活性氧自由基的动力学性质。这项工作将对沸石/有机复合材料的发展产生直接影响，用于降解有害的环境污染物。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。这个解决方案项目将包括研究自由基的电离反应（键裂解），自由基中心附近有一个离去基。由于利用高强度飞秒激光系统所需的先进技术，双光子项目将由一名博士后研究员领导，其他三个项目将分配三名研究生。五名本科生将协助这些项目。

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.