ROLE OF WATER IN MODIFYING INTERSTRAND INTERACTIONS IN CELLULOSE FIBERS

这个子项目是许多研究子项目中的一个 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得了主要资金， 因此可以在其他CRISP条目中表示。所列机构为 研究中心，而研究中心不一定是研究者所在的机构。 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. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. 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.