Collaborative Research: Integrated Experimental and Computational Studies for Understanding the Interplay of Photoreactive Materials and Persistent Contaminants

合作研究：用于了解光反应材料和持久性污染物相互作用的综合实验和计算研究

• 批准号: 1807465
• 负责人: Nan Jiang
• 金额: $ 23.95万
• 依托单位: University of Illinois at Chicago
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2018
• 资助国家: 美国
• 起止时间: 2018-07-01 至 2022-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1807465&HistoricalAwards=false
• 关键词: Collaborative; Research; Integrated; Experimental; Computational

This award is funded by the Environmental Chemical Sciences Program in the Division of Chemistry. Professors Danmeng Shuai and Hanning Chen at The George Washington University and Professor Nan Jiang at the University of Illinois at Chicago collaborate to understand the transformation of persistent organic contaminants in a natural aquatic environment. A broad range of persistent organic micropollutants, such as pharmaceuticals and personal care products (PPCPs), endocrine disrupting compounds (EDCs), and agrochemicals, have been detected in natural water. These substances are of concern because of adverse impacts to human health and ecological systems even at very low concentrations. Their removal in the natural system is therefore important. The research team uses an integrated simulation and experimental approach. They study an important yet overlooked process of contaminant transformation in the natural system that involves photochemical reactions on naturally occurring and anthropogenic materials. The project trains students in creative ways, and offers them hands-on research experience in environmental chemistry. The project also introduces students from diverse backgrounds and educational levels, particularly those from underrepresented groups, to cutting-edge scientific research.The project employs a multi-faceted approach. It includes the synthesis and characterization of photocatalysts that represent natural minerals and anthropogenic materials. It aims at a mechanistic understanding in a model system. The impact of complex water matrices on contaminant transformation is evaluated. Molecular simulations, advanced spectroscopic and microscopic characterizations, and the evaluation of reaction kinetics and pathways are conducted. This sheds light on the interactions of photocatalysts and contaminants at an atomic/molecular scale. It also elucidates the impact of complexity and heterogeneity of environmental systems for contaminant transformation.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.

该奖项由化学部环境化学科学计划资助。乔治华盛顿大学的Danmeng Shuai和Hanning Chen教授和伊利诺伊大学芝加哥大学的Nan Jiang教授合作，以了解自然水生环境中持久有机污染物的转变。 在天然水中已经发现了广泛的持续有机微污染物，例如药物和个人护理产品（PPCP），内分泌干扰化合物（EDC）和农业化学物质。这些物质由于对人类健康和生态系统的不利影响即使在非常低的浓度下也引起关注。因此，它们在自然系统中的去除很重要。研究团队使用综合模拟和实验方法。他们研究了自然系统中污染物转化的重要过程，涉及对天然发生和人为材料的光化学反应。该项目以创造性的方式培训学生，并为他们提供环境化学研究经验。该项目还介绍了来自不同背景和教育水平的学生，尤其是来自代表性不足的群体的学生，介绍了尖端的科学研究。该项目采用了多方面的方法。它包括代表天然矿物质和人为材料的光催化剂的合成和表征。它旨在在模型系统中的机械理解。评估了复杂水基质对污染物转化的影响。进行了分子模拟，晚期光谱和微观特征，并进行了反应动力学和途径的评估。这阐明了光催化剂和污染物在原子/分子尺度上的相互作用。它还阐明了环境系统对污染物转型的复杂性和异质性的影响。该奖项反映了NSF的法定任务，并使用基金会的知识分子优点和更广泛的影响审查标准，认为值得通过评估来获得支持。

项目成果

Defining Multiple Configurations of Rubrene on a Ag(100) Surface with 5 Å Spatial Resolution via Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy

• DOI: 10.1021/acs.jpcc.9b09162
• 发表时间: 2020-01
• 期刊: The Journal of Physical Chemistry C
• 作者: J. Schultz;Linfei Li;Sayantan Mahapatra;C. Shaw;Xu Zhang;N. Jiang