Conformation and Dynamics of Complex Polysaccharides

9724113布什生物合成富集与稳定同位素，13 C和15 N，将用于一系列复杂的多糖和寡糖的构象和动力学的NMR和分子建模研究。 密切相关的结构的集合上的数据将进行分析，以确定特定的结构特征，如分支和取代基的位置，复杂的多糖的构象和动力学的影响。 稳定同位素富集的策略将为该研究项目提供独特的优势，使其能够通过三维异序NMR方法如HMQC-NOESY，HCCH TOCSY和定量相干转移来测量3 JCH，3 JCC，2 JCC和3 JHH的准确值。 长程偶联常数将用作糖苷键的二面角的直接量度。 分子模拟，包括分子动力学模拟，将用于解释实验NOE和耦合常数数据。 稳定同位素的富集将使得有可能通过使用具有同位素过滤器的NMR光谱来研究与凝集素结合的寡糖的构象和动力学。 该研究将为理解复杂寡糖的构象和动力学以及它们与特异性结合蛋白如凝集素、糖苷酶和糖基转移酶的相互作用提供重要的改进。 对寡糖构象和动力学的更好理解将在多糖的生物技术中具有价值，多糖被广泛用作食品添加剂，以及用于材料科学中的其他应用。 ***

9724113 Bush Biosynthetic enrichment with stable isotopes, 13C and 15N, will be employed in an NMR and molecular modeling study of the conformation and dynamics of a series of complex polysaccharides and oligosaccharides. Data on a collection of closely related structures will be analyzed to determine the influence of specific structural features, such as branching and substituent positions, on the conformation and dynamics of complex polysaccharides. The strategy of enrichment of the samples with stable isotopes will confer unique advantages to this research project, making it possible to measure accurate values of 3JCH, 3 JCC, 2JCC, and 3JHH by 3-dimensional heteronuclear NMR methods such as HMQC-NOESY, HCCH TOCSY and quantitative coherence transfer. Long range coupling constants will serve as a direct measure of the dihedral angle of the glycosidic linkage. Molecular modeling, including molecular dynamics simulation, will be used to interpret the experimental NOE and coupling constant data. Enrichment in stable isotopes will make it possible to study the conformation and dynamics of the oligosaccharides bound to lectins by using NMR spectroscopy with isotope filters. The research will provide a significant improvement in the understanding of conformation and dynamics of complex oligosaccharides and their interaction with specific binding proteins such as lectins, glycosidases and glycosyl transferases. An improved understanding of oligosaccharide conformation and dynamics will be valuable in the biotechnology of polysaccharides, which are widely used as food additives, as well as for other applications in materials science. ***