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

该奖项由化学学部环境化学科学项目资助。乔治华盛顿大学的帅丹梦教授和陈汉宁教授以及伊利诺伊大学芝加哥分校的江南教授合作研究持久性有机污染物在自然水生环境中的转化。在天然水中检测到广泛的持久性有机微污染物，如药品和个人护理产品（PPCPs）、内分泌干扰化合物（EDCs）和农用化学品。这些物质令人关注，因为即使在极低浓度下也会对人类健康和生态系统产生不利影响。因此，在自然系统中清除它们是很重要的。研究小组采用了模拟和实验相结合的方法。他们研究了自然系统中污染物转化的一个重要但被忽视的过程，该过程涉及自然发生和人为物质的光化学反应。该项目以创造性的方式培养学生，并为他们提供环境化学方面的实践研究经验。该项目还介绍了来自不同背景和教育水平的学生，特别是那些来自代表性不足群体的学生，参与尖端科学研究。该项目采用了多方面的方法。它包括代表天然矿物和人为材料的光催化剂的合成和表征。它旨在对模型系统进行机械的理解。评价了复杂水基质对污染物转化的影响。进行了分子模拟，先进的光谱和微观表征，以及反应动力学和途径的评估。这揭示了光催化剂与污染物在原子/分子尺度上的相互作用。它还阐明了环境系统的复杂性和异质性对污染物转化的影响。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

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.