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

在分析和表面化学计划的补助金是 在生物分子的质谱分析领域。 教授 莱布里拉和他的学生将使用外部源傅立叶 变换质谱仪，FTMS，用于测量气相 质子化生物分子的碱性。 半经验 分子轨道计算将用于确定 寡糖中的质子化位点。 此外，本发明还提供了一种方法， 与手性醇的氢/氘交换反应将 用于确定不同的 寡糖上的交换位点。 的目标 这项研究旨在增加我们对 分子内相互作用和质子迁移途径 气相生物分子 %%% Lebrilla教授建议使用傅里叶变换质量 气相结构解析光谱法 生物分子 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.