GOALI: Theoretical Foundations of Interaction Nanoparticle Chromatography

这个GOALI奖是为了支持罗格斯大学和杜邦公司之间的合作，并支持研究和教育，以发展使用相互作用纳米颗粒色谱（INPC）新技术分离功能化纳米颗粒（NP）的理论基础。pi将首次系统地研究NP粘附和迁移的细节，使用基于混合耗散粒子动力学（DPD）和蒙特卡罗（MC）模拟技术的专门设计的理论和计算工具。这些方法将适用于和测试的实验数据收集在杜邦分离功能化二氧化硅NPs聚合物接枝整体柱。拟议项目的成功将为指导INPC条件的优化提供战略方法，以改进NP表征、分离和纯化。这项研究的结果将对各种复杂np -聚合物复合系统和工艺的模拟和优化，以及新型纳米复合材料、基于np的药物输送载体、药物凝胶和薄膜的合理设计产生重大的跨学科影响。这项工作的成果将通过建立一个专门的网页来传播，以便为教育目的提供项目报告和介绍。计算程序和几个有指导意义的案例研究示例将在网页上发布，供科学界免费分发。学生将受益于杜邦实验站的工业培训和研究设施。在工业Co-PI的指导下，他们将制作实际相关的计算机程序，并获得NP和色谱实验的实践经验。

1510993NeimarkThis GOALI award is for the collaboration between Rutgers University and DuPont Corporation and supports research and education to develop theoretical foundations for separation of functionalized nanoparticles (NP) using a new technique of interaction nanoparticle chromatography (INPC). The PIs will systematically study for the first time the specifics of NP adhesion and mobility with specially designed theoretical and computational tools based on the hybrid dissipative particle dynamics (DPD) and Monte Carlo (MC) simulation techniques. These methods will be applied to and tested against experimental data collected at DuPont on separation of functionalized silica NPs on polymer-grafted monolith columns. The success of the proposed project will enable a strategic approach to guided optimization of INPC conditions for improved NP characterization, separations, and purification. The results of this research will have a significant transformative interdisciplinary impact for simulation and optimization of various complex NP-polymer composite systems and processes and a rational design of novel nanocomposites, NP-based drug delivery vehicles, and pharmaceutical gels and films. The results of this work will be disseminated by creating a dedicated webpage for making project reports and presentations available for educational purposes. The computational programs together with several instructive case study examples will be posted on the webpage for free distribution among the scientific community. The students will benefit from industrial training and research facilities of DuPont Experimental Station. Guided by the industrial Co-PI, they will produce computer programs of practical relevance and get a hands-on experience in NP and chromatographic experimentation.