CAREER: Using Helium Nanodroplets to Probe the Structure and Thermochemistry of Biomolecular Building Blocks

化学系化学结构、动力学和机制计划支持佐治亚大学的Gary E.Douberly教授进行高分辨率红外激光光谱和氦纳米液滴分离(HENDI)相结合的研究，旨在探测分离的氨基酸、模式双肽和三肽以及核酸碱基物种。这些研究将为这些具有生物重要性的系统提供详细的结构信息。这一方法还将被用于高精度地确定与生物分子构象和互变异构体的相互转化相关的热化学。为了解决溶剂在驱动生物分子构象变化中所起的作用，HENDI将被用于在连续加水时确定生物分子-水簇合物的结构。这些测量将为解释生物大分子动力学实验研究所需的理论提供明确的测试，例如那些探测蛋白质在其自然环境中折叠时结构变化的理论。总的来说，这些研究将为目前在化学、物理和材料科学的广泛领域中使用的分子建模和量子化学方法的校准和测试提供急需的基准。本项目将专注于分离的生物分子的基本结构属性，这将对旨在了解生物分子系统的功能和化学的广泛研究产生更广泛的影响。这项研究的更广泛影响还包括培训研究生和本科生使用先进的激光技术、光学、电子学、真空系统和低温技术。为了让来自代表人数不足的群体的学生参与进来，将与乔治亚州历史上的黑人学院和大学(HBCU)的化学教师建立伙伴关系。杜伯利教授将每年在这些机构举办有关生物物理光谱学的研讨会和讲座。这些HBCU的本科生将前往佐治亚大学参加根据该奖项开展的研究活动。每年，学生参与者都会在地区性科学会议上展示他们的成果。杜伯利教授将在学生的研究活动期间担任他们的导师和顾问，帮助他们完成研究生或专业学校的申请过程，并进入他们的职业生涯。预期的结果将是鼓励这一代表性不足的群体的学生继续接受物理学方面的高级教育。

The Chemical Structure, Dynamics and Mechanisms Program of the Chemistry Division supports Professor Gary E. Douberly at the University of Georgia for a combined high resolution infrared laser spectroscopy and helium nanodroplet isolation (HENDI) study aimed at probing isolated amino acids, model di- and tri-peptides and nucleic acid base species. These investigations will provide detailed structural information for these biologically important systems. This methodology will also be employed to determine with high accuracy the thermochemistry associated with the interconversion of biomolecule conformers and tautomers. To address the role solvent plays in driving conformational changes in biomolecules, HENDI will be used to determine the structures of biomolecule-water clusters upon successive addition of water. These measurements will provide definitive tests for the theories that are needed to interpret the experimental studies of bio-macromolecular dynamics, such as those that probe the structural changes of a protein as it folds in its native environment. Collectively, these studies will contribute critically needed benchmarks for the calibration and testing of the molecular modeling and quantum chemistry methods that are presently used across a vast array of fields in chemistry, physics and materials science.This project will focus on the fundamental structural properties of isolated biomolecules, which will have a broader impact on a wide array of studies aimed at understanding the function and chemistry of biomolecular systems. The broader impacts of this research also include the training of graduate and undergraduate students in the use of advanced laser technologies, optics, electronics, vacuum systems, and cryogenic techniques. In order to involve students from underrepresented groups, partnerships will be established with chemistry faculty at historically black colleges and universities (HBCUs) in the state of Georgia. Professor Douberly will present seminars and lectures on biophysical spectroscopy on an annual basis at these institutions. Undergraduate students from these HBCUs will travel to the University of Georgia to participate in the research activities carried out under this award. Each year, student participants will present their results at regional scientific meetings. Professor Douberly will serve as a mentor and advisor to student participants during their research activities, as they navigate through the graduate or professional school application process, and beyond into their professional careers. The anticipated outcome will be to encourage students from this underrepresented group to pursue advanced education in the physical sciences.