Probe of Protonation Sites in Peptides and Oligosaccharides by the Concerted Use of Gas-Phase Basicities, Molecular Orbital Calculations, and H/D Exchange Reactions

分析和表面化学项目的拨款是在生物分子质谱分析领域。Lebrilla教授和他的学生将使用外部源傅立叶变换质谱仪（FTMS）来测量质子化生物分子的气相碱度。半经验分子轨道计算将用于确定低聚糖中质子化的位置。此外，与手性醇的氢/氘交换反应将用于确定低聚糖上不同交换位点的确切构型。提出的研究目标是增加我们对分子内相互作用和质子迁移途径在气相生物分子的理解。Lebrilla教授建议使用傅里叶变换质谱法来阐明气相生物分子的结构。这项研究涉及质谱分析、分子轨道计算和氢/氘交换反应。

This grant in the Analytical and Surface Chemistry Program is in the area of mass spectrometry of biomolecules. Professor Lebrilla and his students will use an external source Fourier transform mass spectrometer, FTMS, to measure gas-phase basicities of protonated biomolecules. Semi-empirical molecular orbital calculations will be used to determine the sites of protonation in oligosaccharides. In addition, hydrogen/deuterium exchange reactions with chiral alcohols will be used to determine the exact configuration of different exchange sites on the oligosaccharides. The goal of the proposed research is to increase our understanding of intramolecular interactions and proton migration pathways in gas-phase biomolecules. %%% Professor Lebrilla proposes to use Fourier transform mass spectrometry to elucidate the structure of gas-phase biomolecules. The research involves mass spectrometry, molecular orbital calculations and hydrogen/deuterium exchange reactions.