SGER: Catalytic Oxygen Activation and Substrate-selectivity in Water via Novel Metallolipids

提案标题：SGER：通过新型金属脂质在水中催化氧活化和底物选择性提案编号：CTS-0649020主要研究者： 胡安角Noveron机构： 该项目将开发一种创新的策略，用于在水中使用金属脂质复合物模拟Cu-双加氧酶的功能活性和化学选择性。 由于相变可以由化学和物理变化触发，因此将利用金属络合物在水中自组装成溶致纳米级相。 该项目具有高风险和探索性，因为这些化合物能够在水中发挥作用。 研究人员将探索控制过渡金属第一配位圈以外的分子环境的能力，以及预先编程过渡的能力，从而使催化剂与产物分离。 一个先进的方法将用于指导催化剂的设计，通过EXAFS表征。 该研究的科学影响可能非常高，因为将通过在分子环境中封装催化功能来探索底物选择性的新策略，该分子环境可以根据分配系数特性控制底物访问。 该项目也是高风险的，因为铜合成模型的分子氧活化仅在有机介质和低温下进行过研究。 然而，关于水中金属脂质微环境的初步证据是有希望的，这项研究的更广泛的技术影响可能是重要的，特别是在制药领域。 就其他更广泛的影响而言，这项研究将在一所拥有大量来自代表性不足的群体的学生的机构进行，这些群体包括墨西哥裔美国人和来自西南部的美洲原住民。 首席研究员还开发了一个独特的媒体资源，介绍了研究故事和项目背后的背景。

Proposal Title: SGER: Catalytic Oxygen Activation and Substrate-selectivity in Water via Novel MetallolipidsProposal Number: CTS-0649020Principal Investigator: Juan C. NoveronInstitution: University of Texas at El PasoThis project would develop an innovative strategy for mimicking the functional activity and chemoselectivity of Cu-dioxygenases using metallolipid complexes in water. The self-assembly of the metal complexes into lyotropic nanoscale phases in water will be exploited since phase transitions can be triggered by chemical and physical changes. The project is high risk and exploratory because of the ability of the compounds to function in water. The researchers will explore the ability to control the molecular environment beyond the first coordination sphere of the transition metals and the ability to pre-program transitions that allow for the separation of the catalysts from the products. A cutting-edge approach will be used to guide the catalyst design through EXAFS characterization. The scientific impact of the research could potentially be very high since a new strategy for substrate selectivity will be explored through the encapsulation of catalytic function within a molecular environment that could control substrate access based on partition coefficient properties. The project also is high risk because dioxygen activation with Cu synthetic models has only been studied in organic media and at low temperatures. Preliminary evidence regarding the microenvironment of metallolipids in water is promising, however.The broader technological impact of the research could be significant, especially in the pharmaceutical area. In terms of other broader impacts, the research will be conducted at an institution with a large number of students from under-represented groups including Mexican-Americans and Native Americans from the Southwest. The principal investigator has also developed a unique media resource that presents the research story and the context behind the project.