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

该奖项由化学系环境化学科学项目资助。乔治华盛顿大学的帅丹蒙教授和陈汉宁教授以及芝加哥伊利诺伊大学的江南教授合作研究了持久性有机污染物在自然水环境中的转化。在天然水中发现了多种持久性有机微污染物，如药品和个人护理产品(PPCPs)、内分泌干扰物(EDCs)和农用化学品。这些物质令人关切，因为即使在很低的浓度下也会对人类健康和生态系统造成不利影响。因此，它们在自然系统中的去除是重要的。研究团队采用了模拟和实验相结合的方法。他们研究自然系统中一个重要但被忽视的污染物转化过程，涉及自然发生的和人为材料上的光化学反应。该项目以创造性的方式培训学生，并为他们提供环境化学方面的实践研究经验。该项目还向来自不同背景和教育水平的学生，特别是那些来自代表人数不足的群体的学生介绍尖端科学研究。该项目采用了多方面的方法。它包括代表天然矿物和人造材料的光催化剂的合成和表征。它的目标是在模型系统中进行机械性的理解。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，以及反应动力学和反应路径的评估。这揭示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的复杂性和异质性对污染物转化的影响。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势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.