Mechanistic Studies of Organic Reactivity

新布伦瑞克罗格斯大学（Rutgers University New Brunswick）的Jeehiun K. Lee教授的化学结构、动力学和机制项目支持他的研究，他的研究描述了气相实验和计算研究，旨在提高对有机物质（如受损核碱基和杂环碳化合物）的酸度、碱度和反应性的理解。我们将研究正常碱基和受损碱基的基本性质，以便对受损碱基（其中一些具有很强的诱变性）与正常碱基的性质有何不同有一个基本的了解。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-杂环碳烯（NHCs）是一种稳定的碳烯，具有广泛的应用，包括作为过渡金属催化反应的有效新型配体；作为一系列有机转化的催化剂；以质子化的形式，作为环境“清洁”的有机反应的非挥发性溶剂（离子液体）。在这个项目中，将使用质谱方法探索这些碳烯的气相质子亲和性。由此产生的知识可能有助于改进NHCs作为配体、催化剂和离子液体的设计，因为这些物质的碱度会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、动力学和机制项目的支持下，李博士的研究将利用实验和理论，同时涉及质谱、有机合成和不同水平的计算，为本科生和研究生提供优秀的培训和教育。这项工作将促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，非天然核碱基的诱变性和碳烯的合成用途。PI致力于招募妇女和代表性不足的少数民族进入科学领域。她参与了罗格斯大学女性在科学、工程和数学领域的促进办公室，该办公室最近获得了美国国家科学基金会（NSF）的Advance Grant，旨在通过招聘、留用、网络、联络、沟通、知名度和家庭倡议来促进女性在科学、工程和数学领域的参与和进步。在较小的范围内，该项目有三名攻读博士学位的女研究生，她的新角色是罗格斯大学化学系研究生招生主任。李博士一直并将继续积极参与招聘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.