Mossbauer studies of iron containing enzyme active sites and model complexes

生命过程化学（CLP）计划中的这一奖项，与分子和细胞生物科学（MCB）部门共同资助，支持由Codrina V. Popescu教授在Ursinus学院（一所本科文科院校）的工作。 建议的穆斯堡尔谱研究包括铁络合物的研究和蛋白质中新铁位点的探索。 穆斯堡尔谱学通过探测铁原子核来深入了解铁化合物的电子结构和成键情况。 铁是在生物系统中发现的最丰富的过渡金属，参与由酶和转运蛋白进行的各种生理过程。 因此，为了在分子水平上理解生物过程，必须阐明铁配位络合物的电子结构。 金属蛋白质的研究已经看到了很大的发展，由于诱人的前景，使用设计元素的灵感来自自然界的人造催化剂，通过催化氧化清除污染物，或廉价地获得氢气用作燃料。 这项基础研究旨在实现两种类型的结果。 首先，铁化合物的大家庭可以系统地表征，广泛的研究有助于建立这些分子的结构和光谱变化之间的相关性。 第二个更具有挑战性的奋进是通过在仔细选择的条件下分析单个化合物的一组光谱来解决光谱问题。 然后可以从光谱参数生成给定化合物的电子结构的图片。 本研究的长期目标是阐明氢化酶和某些加氧酶的结构和机制，这些酶在燃料和污染控制技术中有直接的应用。 例如，氢化酶催化分子氢的产生和分解。 如果能很好地理解，这些酶可能会提供一种更便宜，无污染的方法来获得氢燃料。这种类型的研究在化学和生物科学中具有重大影响，因为它提供了基本结构问题的答案，例如结构和键合，并揭示了它们对活性位点功能的深刻影响。在更广泛的影响方面，拟议的研究支持密切的导师-学生关系，学生参与从假设生成到结果解释的科学追求。 对本科生培训和教育的预期影响包括：（1）开发和维护本科生研究计划，通过培养逻辑和解决问题的能力来促进学生的成长和独立性;（2）为学生提供跨学科项目，促进学习光谱学实践，同时解决当前的科学问题;（3）为外部演示和出版物提供资源。

This award in the Chemistry of Life Processes (CLP) program, co-funded with the Division of Molecular and Cellular Biosciences (MCB), supports work by Professor Codrina V. Popescu at Ursinus College, an undergraduate liberal arts institution. The proposed Mössbauer investigations include studies of iron complexes and the exploration of novel iron sites in proteins. Mössbauer spectroscopy provides insight into the electronic structure and bonding situation of iron compounds by probing the iron nucleus. Iron is the most abundant transition metal found in biological systems, being involved in a variety of physiological processes carried out by enzymes and transport proteins. Thus, to understand biological processes at a molecular level, one must elucidate the electronic structure of iron coordination complexes. The study of metalloproteins has seen a great development due to the enticing prospect of using design elements inspired by Nature in manmade catalysts for cleaning out pollutants through catalytic oxidation, or cheaply obtaining hydrogen to be used as a fuel. This fundamental research seeks to accomplish two types of results. First, large families of iron compounds could be systematically characterized, a broad study useful in establishing correlations between structural and spectroscopic changes in these molecules. A second, more challenging endeavor, is the resolution of spectroscopic problems by analyzing a set of spectra for a single compound under carefully chosen conditions. A picture of the electronic structure of a given compound can then be generated from the spectral parameters. The long-term goals of this research are the elucidation of structure and mechanism of hydrogenases and certain oxygenases, which have direct applications in fuel and pollution control technologies. For example, the enzymes hydrogenases catalyze the production and breakdown of molecular hydrogen. If understood well, these enzymes may offer a cheaper, non-polluting way, to obtain hydrogen fuel. This type of research has a significant impact in the chemical and biological sciences, given that it provides answers to fundamental structural questions, such as structure and bonding, and uncovers their profound implications on the function of the active sites in question.In terms of broader impacts, the proposed research supports a close mentor-student relationship, in which students are part of the scientific pursuit from hypothesis generation to interpretation of results. The expected impacts on undergraduate training and education include: (1) to develop and maintain an undergraduate research program that fosters student growth and independence through cultivation of logic and problem-solving skills; (2) to provide students with interdisciplinary projects that promote learning spectroscopy hands-on while solving current scientific problems; (3) to provide the resources for external presentations and publications.