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.

在化学系中的大分子，超分子和纳米化学（MSN）计划的支持下，里奇蒙德大学及其本科生的迈克尔·C·利奥波德（Michael C. 长期实践目标是开发基于纳米颗粒的卤素粘结感，这些爆炸性传感工具可以快速，可通过非专家，现场便携式和执法部门和军事部署。在基本方面，该项目促进了对结构依赖性卤素键相互作用的知识和基本理解，并将这些知识适应在纳米材料的设计中，这些纳米材料在传感方案中起着功能的作用。该项目与本科生一起参与了根本性的，多学科的，实用的以结果为导向的研究。除了具有沉浸式实验室经验外，本科生还将协助开发基于课程的本科研究材料，并将积极参与社区教育和外展计划，旨在激发和保留对本地资源不足的K-12学校的STEM领域的兴趣。该项目侧重于结构优化的卤素键（XB），是策略设计的XB选择器分子与金纳米颗粒（NPS）与靶向爆炸性分子之间的基本分子间相互作用。这些功能化的NP和非芳族爆炸物之间的强XB相互作用应导致分析信号传导，光谱或电化学，这表明存在靶向分子。为了实现这一总体目标，有许多特定的目标，包括：（1）使用19F和1H NMR（核磁共振）滴定测量值，以鉴定特定的卤化化学结构和与爆炸物和/或爆炸性相关分子的最强X-B相互作用的实验条件；（2）与X-B促进化学结构的硫醇终止配体合成；（3）探索单层受保护的纳米簇（MPC）的表面结构/化学，以通过用NMR测量值监测的位置交换反应有效地用X-B选择器配体官能化其外围层；（4）使用复杂的2-D NMR，Noesy（核大关增强光谱）和HOESY（异核过度大冲突增强光谱法），以表征功能化的MPC和爆炸性/爆炸性/爆炸性/爆炸性/爆炸性/爆炸性/爆炸性/爆炸性/爆炸性/爆炸性相关的目标分子之间的X-B相互作用；（5）在存在爆炸性分子的情况下，X-B诱导的溶液溶液聚集；（6）通过电化学测量值在化学蒸气中检测炸药和/或爆炸性相关的分子来证明X-B选择器功能化的MPC，以通过电化学测量来检测爆炸物和/或爆炸性相关的分子。这奖反映了NSF的立法任务，并以基础的智力综述和广泛的评估值得评估，并值得通过评估来进行评估。