GOALI: Theoretical Foundations of Interaction Nanoparticle Chromatography

GOALI：相互作用纳米颗粒色谱的理论基础

• 批准号: 1510993
• 负责人: Alexander Neimark
• 金额: $ 30万
• 依托单位: Rutgers University New Brunswick
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2015
• 资助国家: 美国
• 起止时间: 2015-09-01 至 2020-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1510993&HistoricalAwards=false
• 关键词: GOALI; Theoretical; Foundations; Interaction; Nanoparticle

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.

1510993 Neimmark该奖项是为了表彰罗格斯大学和杜邦公司之间的合作，并支持研究和教育，以开发使用相互作用纳米颗粒层析(INPC)新技术分离功能化纳米颗粒(NP)的理论基础。PIS将首次使用基于耗散粒子动力学(DPD)和蒙特卡罗(MC)混合模拟技术的专门设计的理论和计算工具，系统地研究NP粘附性和迁移率的特性。这些方法将被应用于杜邦公司收集的关于在聚合物接枝整体柱上分离功能化二氧化硅纳米颗粒的实验数据并进行测试。拟议项目的成功将使战略方法能够指导优化INPC条件，以改进NP的表征、分离和提纯。这一研究结果将对各种复杂的NP-聚合物复合体系和工艺的模拟和优化以及新型纳米复合材料、基于NP的药物输送载体和药物凝胶和薄膜的合理设计具有重要的跨学科影响。这项工作的结果将通过创建一个专门的网页来传播，以便为教育目的提供项目报告和专题介绍。计算程序和几个有指导意义的案例研究实例将张贴在网页上，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，他们将制作具有实用意义的计算机程序，并在NP和色谱实验方面获得实践经验。

项目成果

Critical Conditions of Adhesion and Separation of Functionalized Nanoparticles on Polymer Grafted Substrates

功能化纳米粒子在聚合物接枝基底上粘附和分离的临界条件

• DOI: 10.1021/acs.jpcc.9b01219
• 发表时间: 2019
• 期刊: The Journal of Physical Chemistry C
• 作者: Santo, Kolattukudy P.;Vishnyakov, Aleksey;Brun, Yefim;Neimark, Alexander V.
• 通讯作者: Neimark, Alexander V.