Mechanistic Studies of Organic Reactivity

化学结构，动力学和机制计划支持Jeehiun K教授。罗格斯大学新玩法的Lee博士的研究描述了气相实验和计算研究，旨在更好地了解有机物种的酸性，碱性和反应性，如受损的核碱基和杂环卡宾（NHC）。将检查正常和受损碱基的基本性质，以基本了解受损碱基（其中一些具有相当的致突变性）与正常碱基的性质如何不同。这些基础研究将阐明受损碱基的内在特性，这对最终控制其致突变性具有重要意义。N-杂环卡宾（NHC）是稳定的卡宾，其具有广泛的应用，包括作为过渡金属催化反应的有效的新型配体;作为其本身的催化剂，用于一系列有机转化;以及以质子化形式，作为用于有机反应的环境“清洁”非挥发性溶剂（离子液体）。在这个项目中，将使用质谱方法探索这种卡宾的气相质子亲合性。由此产生的知识可能有助于改进NHC作为配体，催化剂和离子液体的设计，因为这些物种的碱性影响它们在这些应用中的效用。在美国国家科学基金会化学部化学结构，动力学和机制计划的支持下，Lee博士的研究将利用实验和理论，同时涉及质谱，有机合成和不同层次的计算，为本科生和研究生提供优秀的培训和教育。拟议的工作将推进对广泛分子的热化学性质的理解，并有可能影响广泛的主题，包括酶机制，非天然核碱基的致突变性和卡宾的合成效用。PI致力于招募女性和代表性不足的少数族裔并将其纳入科学领域。她参与了罗格斯大学促进妇女在科学，工程和数学，这是最近被授予NSF提前赠款，以促进妇女在科学，工程和数学的参与和进步，通过招聘，保留，网络，联络，通信，能见度和家庭倡议办公室。在小范围内，私家侦探有三个博士学位-跟踪女研究生，并通过她担任罗格斯大学化学系研究生招生主任的新角色。李博士一直并将继续积极参与招募多元化的毕业生群体。

The Chemical Structure, Dynamics, and Mechanisms Program supports Professor Jeehiun K. Lee at Rutgers University New Brunswick whose research describes gas-phase experimental and computational studies designed to gain an improved understanding of the acidity, basicity and reactivity of organic species, such as damaged nucleobases and heterocyclic carbenes (NHCs). The fundamental properties of normal and damaged bases will be examined to gain an essential understanding of how damaged bases, some of which are quite mutagenic, differ in properties from normal bases. These fundamental studies will elucidate the intrinsic properties of damaged bases, which have implications for ultimately controlling their mutagenicity. N-Heterocyclic carbenes (NHCs) are stabilized carbenes that have a wide variety of applications including, as effective novel ligands for transition-metal-catalyzed reactions; as catalysts in their own right, for a range of organic transformations; and in protonated form, as environmentally "clean" nonvolatile solvents for organic reactions (ionic liquids). In this project, the gas phase proton affinity of such carbenes will be explored, using mass spectrometric methods. The resulting knowledge may be useful for improved design of NHCs as ligands, catalysts and ionic liquids since the basicity of such species impacts their utility in these applications.With the support of the Chemical Structure, Dynamics, and Mechanisms Program in the Chemistry Division at the National Science Foundation, Dr.Lee's research will utilize experimentation and theory while involving mass spectrometry, organic synthesis and different levels of calculations to provide excellent training and education for undergraduate and graduate students. The proposed work will advance the understanding of the thermochemical properties of a wide range of molecules, and has the potential to impact a wide range of topics, including enzyme mechanism, mutagenicity of unnatural nucleobases, and synthetic utility of carbenes. The PI is dedicated to the recruitment and inclusion of women and underrepresented minorities into science. She is involved with the Rutgers Office of Promotion of Women in Science, Engineering and Math, which was recently awarded an NSF Advance Grant to promote the participation and advancement of women in science, engineering and math through recruitment, retention, networking, liaisons, communication, visibility and family initiatives. On a smaller scale, the PI has three Ph.D.-track female graduate students and through her new role as the Director of Graduate Admissions in the Chemistry Department at Rutgers University. Dr. Lee has been and will continue to be actively involved in recruiting a diverse graduate population.