ROLE OF WATER IN MODIFYING INTERSTRAND INTERACTIONS IN CELLULOSE FIBERS

水在改变纤维素纤维链间相互作用中的作用

• 批准号: 8361794
• 负责人: ROBERT J WOODS
• 金额: $ 0.18万
• 依托单位: UNIVERSITY OF GEORGIA
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-02-01 至 2012-01-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8361794
• 关键词: Cellulose; Fiber; Funding; Grant; Hurricane; Modeling; National Center for Research Resources; Principal Investigator; Reporting; Research; Research Infrastructure; Resources; Role; Source; Structure; Training; United States National Institutes of Health; Water; Work; cost; simulation

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.

该子项目是利用资源的众多研究子项目之一 由 NIH/NCRR 资助的中心拨款提供。子项目的主要支持 并且子项目的主要研究者可能是由其他来源提供的， 包括其他 NIH 来源。 子项目可能列出的总成本 代表子项目使用的中心基础设施的估计数量， NCRR 赠款不直接向子项目或子项目工作人员提供资金。 由于飓风对新奥尔良的设施造成破坏，博士们。弗伦奇和约翰逊被重新分配到美国农业部位于佐治亚州雅典的设施。我们发起了一个项目，采用 MD 和 PMF 模拟来检查纤维素微纤维的结构和强度与模型纤维中股数的函数关系。在离开新奥尔良期间，Johnson 博士在 CCRC 工作，在那里他接受了溶剂化分子动力学模拟的实践和理论方面的培训。 这项工作正在继续使用我们最近报告的 TIP-5P 一致的 GLYCAM 参数来模拟纤维素纤维。