CHARACTERIZING THE 3D PROPERTIES OF POLY(NEU5AC) VS POLY(NEU5GC) POLYMERS

这个子项目是利用资源的许多研究子项目之一。 由NIH/NCRR资助的中心拨款提供。对子项目的主要支持 子项目的首席调查员可能是由其他来源提供的， 包括美国国立卫生研究院的其他来源。为子项目列出的总成本可能 表示该子项目使用的中心基础设施的估计数量， 不是由NCRR赠款提供给次级项目或次级项目工作人员的直接资金。 核磁共振实验数据表明Neu5Ac和Neu5Gc具有不同的三维构象。除了Neu5Ac和Neu5Gc之间的化学差异外，这些3D结构差异也可能为生物识别的差异提供了一种机制。Neu5Ac和Neu5Gc的各种聚合物将使用分子动力学(MD)模拟进行比较，以确定聚合物的3D形状，并将与相同聚合物长度的实验数据进行比较。此外，还将对没有实验数据的聚合物进行研究，为未来的实验比较提供预测性数据。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. Experimental data, NMR, is available which shows that Neu5Ac and Neu5Gc have different 3D conformations. Aside from chemical differences between Neu5Ac and Neu5Gc, these 3D structural differences may also provide a mechanism for differences in biological recognition. Various polymers of Neu5Ac and Neu5Gc will be compared using Molecular Dynamics (MD) simulations to determine the 3D shapes of the polymers and comparisons will be made to experimental data of identical polymer lengths. Additionally, polymers without experimental data will be studied to provide predictive data for future experimental comparisons.