Development of an Asymmetric Electrochemical-NHK Reaction using Multivariate Linear Regression Analyses

Arianne Hunter被授予FY 21数学和物理科学上升博士后研究（NSF MPS-Ascend）奖学金，以开展与扩大加州理工学院化学领域代表性不足的群体参与相关的研究和活动计划。 Arianne Hunter正在执行的项目，题为使用多元线性回归分析开发不对称电化学-NHK反应，将在指导科学家Sarah E.雷斯曼该项目得到了数学和物理科学理事会多学科活动办公室的支持。 该项目利用多元线性回归（MLR）模型来指导识别特权配体类别，该配体类别将电化学驱动的Nozaki-Hiyama-Kishi反应（e-NHK）转化为高度对映选择性的方法。具体的目标包括筛选配体，以确定特权的支架，产生高水平的不对称性，发展拴系配体，以增加反应的效率和不对称性，并进行电分析调查到形成的杂合物。这些深入研究e-NHK使用数据科学驱动的MLR模型和电分析/光谱电化学机理调查将有助于对e-NHK中的Cr和Ni形态的新的基本理解。亨特博士还将努力扩大参与，通过努力，如开始NOBCChE章，在加州理工学院化学倡议的多样性参与，并与加州理工学院中心的教学，学习和推广工作。亨特博士还计划利用她在组织科学界外展方面的广泛背景，通过她的非营利组织”我们也做科学“和她与俄克拉荷马州市的“GirlTech”的合作，在帕萨迪纳高中组织外展活动。该奖项反映了NSF的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。

Arianne Hunter is awarded a FY21 Mathematical and Physical Sciences Ascending Postdoctoral Research (NSF MPS-Ascend) Fellowship to conduct a program of research and activities related to broadening participation by groups underrepresented in Chemistry at Cal Tech. The project being performed by Arianne Hunter, entitled Development of an Asymmetric Electrochemical-NHK Reaction using Multivariate Linear Regression Analyses, is to be conducted under the guidance of mentoring scientist Sarah E. Reisman. This project is supported by the Office of Multidisciplinary Activities in the Mathematical and Physical Sciences Directorate. This project utilizes multivariate linear regression (MLR) models to guide the identification of a privileged ligand class that will transform the electrochemically driven Nozaki-Hiyama-Kishi reaction (e-NHK) into a highly enantioselective method. The specific aims include screening ligands to identify privileged scaffolds that produce high levels of asymmetry, developing tethered ligands to increase the efficiency and asymmetry of the reaction, and conducting electroanalytical investigations into the formation of heteronuclear complexes. These in-depth studies into the e-NHK using data science-driven MLR models and electroanalytical/spectroelectrochemical mechanistic investigations will contribute a new fundamental understanding of the Cr and Ni speciation in the e-NHK. Dr. Hunter will also work to broaden participation through efforts like starting a NOBCChE chapter, participating in the Diversity in Chemistry Initiative at Caltech, and working with the Caltech Center for Teaching, Learning, and Outreach. Dr. Hunter also plans to use her extensive background in organizing scientific community outreach, gained through her non-profit “We Do Science Too” and her work with “GirlTech” of Oklahoma City, to organize outreach activities at Pasadena High School.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.