SusChEM: Biomimetics of the [FeFe]-H2ase enzyme active site (EAS)

在这项由化学系化学合成计划资助的项目中，德克萨斯农工大学化学系的Marcetta Y.Darensburg教授将开发氢处理生物催化剂的含铁和含镍活性中心的合成类似物，即氢化酶。Pi的研究小组几乎精确地复制了在二铁氢酶中发现的独特和虚幻的“旋转”结构的结构模型，并以酶的分离、混合价FeIIFeI状态显示。Mössbauer、EPR(Endor)和计算化学对模型的电子结构的深入分析刺激了先进仿生学的设计，其作为放氢电催化剂的能力将通过循环伏安进行筛选。通过持续的合作，将分析这种催化剂的电子结构和在染料敏化光催化中的应用。少年派的群体是多样化的，他们为一年一度的化学开放日、为六年级女孩开展的扩大你的视野计划以及其他推广计划做出了贡献，比如NOBCChE。在广泛的范围内，这项工作解决了氢作为能量载体的作用--在能源储存应用中，以及在氢的生产和利用中对可持续催化剂的需求。可持续能源相关研究领域对整个社会产生影响，为学生提供了跨学科和协作的培训机会。这项研究启发同事们在化学、生物学、光谱学、理论等方面获得广泛的科学知识基础，并时刻警惕科学的通用语言，特别是化学，以解决问题。

In this project funded by the Chemical Synthesis Program of the Chemistry Division, Professor Marcetta Y. Darensbourg of the Department of Chemistry at Texas A & M University will develop synthetic analogues of the iron- and nickel-containing active sites of hydrogen-processing biocatalysts known as Hydrogenases. The PI's group reproduces almost precise structural models of the unique and illusive "rotated" structure found in the diiron hydrogenase, and displayed in the as-isolated, mixed-valent FeIIFeI state of the enzyme. In depth analysis of the electronic structure of the models by Mössbauer, EPR (ENDOR), and computational chemistry stimulates the design of advanced biomimetics, and its ability to serve as hydrogen-evolving electrocatalysts will be screened by cyclic voltammetry. Through continued collaborations, such catalysts will be analyzed for electronic structures and for applications to dye-sensitized photocatalysis. The PI's group is diverse and contributes to the annual Chemistry Open House, the Expanding Your Horizons program for 6th grade girls, and other outreach programs, such as NOBCChE. In a broad scope, this work addresses the role of hydrogen as an energy vector--in energy storage applications, and the need for sustainable catalysts in both the production and utilization of hydrogen. The sustainable energy-related research area impacts society as a whole and represents cross-disciplinary and collaborative training opportunities for students. The research inspires coworkers to gain a broad scientific knowledge base in chemistry, biology, spectroscopy, theory, etc., and to be ever alert for the universal language of science, chemistry in particular, for the solving of problems.