CAREER: NEW WATER-SOLUBLE LIGANDS AND TRANSITION METAL COMPLEXES FOR ENZYME MODELING AND CATALYSIS

无机化学、生物无机化学和金属有机化学项目的这一职业奖项支持德雷克塞尔大学的Papish教授合成和研究新的配体和络合物的工作；目标是模拟重要金属酶的结构和功能。特别是，Papish小组对模拟磷酸三酯酶(PTE)感兴趣，因为PTE催化农药和神经毒气的水解。新的配体将被设计成模拟二级配位球并提供水溶性，这些性质应该会导致重要的水解反应的快速催化。潜在的研究应用范围很大，包括对各种酯酶、碳酸氢酶和加氧酶进行建模。模型化合物可以为绿色化学应用提供催化剂，包括分解环境毒素，利用氧气作为一种丰富的环境友好的氧化剂，以及开发一类与水相容的配体作为使用有机溶剂的替代方案。这项研究项目将作为教育和激励高中生、本科生和研究生学习科学的一种手段，通过直接让学生参与研究来实现。为了说明科学和研究对目前代表性不足的群体来说是可行的职业道路，将建立一个以妇女和少数族裔化学家为特色的“化学职业”研讨会。这个工作坊将为学生创建一个非正式的同行和职业榜样网络；这个网络的成员可以充当导师。此外，他们还将介绍使他们成为成功科学家的一系列决定。

This CAREER award in the Inorganic, Bioinorganic and Organometallic Chemistry program supports work by Professor Papish at Drexel University to synthesize and study new ligands and complexes; the goal is to mimic the structure and function of important metalloenzymes. In particular, the Papish group is interested in modeling phosphotriesterase (PTE) because PTE catalyzes the hydrolysis of both pesticides and nerve gases. New ligands will be designed to mimic the secondary coordination sphere and provide water-solubility, properties that should lead to fast catalysis of important hydrolysis reactions. The scope of potential research applications is large and includes modeling various esterases, carbonic anhydrase and oxygenases. Model complexes could provide catalysts for green chemistry applications, including the breakdown of environmental toxins, the harnessing of oxygen as an abundant and environmentally benign oxidant, and the development of a class of ligands that is compatible with water as an alternative to the use of organic solvents. This research project will be used as a means of educating and motivating high school, undergraduate and graduate students to study science by directly involving students in the research. To illustrate that science and research are viable career paths for currently underrepresented groups, a workshop on 'Careers in Chemistry' that features women and minority chemists will be established. This workshop will create an informal network of peer and professional role models for students; members of this network can serve as mentors. In addition, they will describe the series of decisions that led them to become successful scientists.