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RUI: Exploring Halogen Bonding as a Fundamental Interaction Toward the Development of Nanoparticle-Based Screening Methods for Explosive Molecule Detection

RUI：探索卤素键作为一种基本相互作用，以开发基于纳米颗粒的爆炸性分子检测筛选方法

基本信息

批准号：
2101010
负责人：
Michael Leopold
金额：
$ 27.27万
依托单位：
University of Richmond
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2021
资助国家：
美国
起止时间：
2021-09-01 至 2025-08-31
项目状态：
未结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=2101010&HistoricalAwards=false
关键词：
RUI Exploring Halogen Bonding Fundamental

项目摘要

With the support of the Macromolecular, Supramolecular, and Nanochemistry (MSN) Program in the Division of Chemistry, Professor Michael C. Leopold of the University of Richmond and his undergraduate students will explore the chemistry of the halogen bond in an effort to exploit its unique attractive interactions to develop nanoparticle sensing platforms for explosives and structurally-related compounds. The long-term practical objective is to develop halogen bonding nanoparticle-based explosive sensing tools that are fast, operable by non-experts, field portable and deployable by law enforcement and the military. On the fundamental side, the project advances knowledge and fundamental understanding of structure-dependent halogen bond interactions and adapts this knowledge to the design of nanomaterials that serve a functional role within sensing schemes. The project engages undergraduate students in fundamentally-sound, multidisciplinary, practical outcome-oriented research. In addition to an immersive laboratory experience, undergraduate students will assist in the development of curriculum-based undergraduate research material and will actively participate in community educational and outreach programs aimed at inspiring and retaining interest in STEM fields at local under-resourced K-12 schools. This project focuses on structure-optimized halogen bonding (XB) as a fundamental intermolecular interaction between strategically-designed XB selector molecules coupled to gold nanoparticles (NPs) and the targeted explosive molecules. Promotion of strong XB interactions between these functionalized NPs and non-aromatic explosives should lead to analytical signaling, spectroscopic or electrochemical, that indicates the presence of targeted molecules. To accomplish this overarching goal, there are a number of specific objectives including: (1) the use of 19F and 1H NMR (nuclear magnetic resonance) titration measurements to identify specific halogenated chemical structure and experimental conditions for the strongest X-B interactions with explosives and/or explosive-related molecules; (2) synthesis of thiol-terminated ligands with optimized X-B promoting chemical structure; (3) exploration of the surface structure/chemistry of monolayer protected nanoclusters (MPCs) to effectively functionalize their peripheral layer with X-B selector ligands via place-exchange reactions monitored with NMR measurements; (4) the use of sophisticated 2-D NMR, NOESY (Nuclear Overhauser Enhancement Spectroscopy) and HOESY (Heteronuclear Overhauser Enhancement Spectroscopy) methods, to characterize X-B interactions between functionalized MPCs and explosive/explosive-related target molecules; (5) exploration of X-B induced solution aggregation of selector-modified MPCs in the presence of explosive molecules; (6) demonstration of X-B selector functionalized MPCs within assembled films as an interface for detecting explosives and/or explosive-related molecules in chemical vapor via electrochemical measurements.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

在化学系的大分子、超分子和纳米化学（MSN）项目的支持下，迈克尔·C。里士满大学的Leopold和他的本科生将探索卤键的化学性质，努力利用其独特的吸引人的相互作用来开发用于爆炸物和结构相关化合物的纳米颗粒传感平台。长期的实际目标是开发基于卤素键合纳米颗粒的爆炸物传感工具，这些工具快速，可由非专家操作，现场便携式，可由执法部门和军方部署。在基础方面，该项目推进了对结构依赖性卤键相互作用的知识和基本理解，并将这些知识用于设计在传感方案中发挥功能作用的纳米材料。该项目使本科生参与基本合理，多学科，以实际成果为导向的研究。除了身临其境的实验室体验，本科生将协助开发基于实验室的本科研究材料，并将积极参与社区教育和推广计划，旨在激发和保持当地资源不足的K-12学校对STEM领域的兴趣。该项目的重点是结构优化的卤素键合（XB），作为与金纳米颗粒（NP）偶联的战略设计的XB选择剂分子与目标爆炸物分子之间的基本分子间相互作用。这些官能化NP和非芳香族炸药之间的强XB相互作用的促进应导致分析信号，光谱或电化学，这表明目标分子的存在。为了实现这一总体目标，有许多具体目标，包括：（1）使用19 F和1H NMR（核磁共振）滴定测量，以确定特定的卤代化学结构以及与爆炸物和/或爆炸物相关分子发生最强X-B相互作用的实验条件;（2）合成具有优化X-B促进化学结构的巯基封端配体;（3）探索单层保护的纳米团簇（MPC）的表面结构/化学，以通过NMR测量监测的位置交换反应用X-B选择剂配体有效地官能化它们的外围层;（4）使用精密的二维NMR、NOESY（核奥弗豪泽增强光谱）和HOESY（Heterophysical Overhauser Enhancement Spectroscopy）方法，以表征功能化MPC与爆炸物/与爆炸物相关的目标分子之间的X-B相互作用;（5）在爆炸性分子存在下，X-B诱导的选择性修饰的MPCs的溶液聚集的探索;（6）展示组装膜内的X-B选择剂官能化的MPC作为用于检测爆炸物和/或爆炸物的界面，该奖项反映了NSF的法定使命，并被认为是值得通过使用基金会的知识产权评估的支持。优点和更广泛的影响审查标准。