ROLE OF WATER IN MODIFYING INTERSTRAND INTERACTIONS IN CELLULOSE FIBERS

该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。次级项目的主要支助 子项目的主要研究者可能是由其他来源提供的， 包括其它NIH来源。 列出的子项目总成本可能 表示子项目使用的中心基础设施的估计数量， 而不是由NCRR赠款提供给子项目或子项目工作人员的直接资金。 由于飓风破坏了他们在新奥尔良的设施，弗伦奇博士和约翰逊博士被重新分配到美国农业部在格鲁吉亚雅典的设施。我们启动了一个项目，采用MD和PMF模拟，以检查纤维素微纤维的结构和强度作为模型纤维中的股数的函数。在他们从新奥尔良流离失所期间，约翰逊博士在CCRC工作，在那里他获得了溶剂化MD模拟的实践和理论方面的培训。 这项工作是继续与模拟纤维素纤维使用我们最近报道的TIP-5 P  一致的GLYCAM参数。

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. As a result of hurricane damage to their facility in New Orleans, Drs. French and Johnson were reassigned to the USDA facility in Athens, Georgia. We initiated a project that employs MD and PMF simulations to examine the structure and strength of cellulose microfibers as a function of the number of strands in the model fiber. During their period of displacement from New Orleans, Dr. Johnson worked at the CCRC where he gained training in the practical and theoretical aspects of solvated MD simulations. This work is continuing with simulations of cellulosic fibers using our recently-reported TIP-5P  consistent GLYCAM parameters.