Reduction of Nitrogen-Oxygen Containing Contaminants (NOCs) in Aquatic Environments

减少水生环境中的氮氧污染物 (NOC)

• 批准号: 1507981
• 负责人: Huichun Zhang
• 金额: $ 30万
• 依托单位: Temple University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2015
• 资助国家: 美国
• 起止时间: 2015-09-01 至 2017-11-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1507981&HistoricalAwards=false
• 关键词: Reduction; Nitrogen; Oxygen; Containing; Contaminants

With this award, the Environmental Chemical Sciences Program of the Division of Chemistry is funding Professor Huichun J. Zhang of Temple University to examine the nitrogen-oxygen single bond (N-O) as a reducible functional group toward reductive transformations under environmental conditions. The introduction of N-O containing contaminants (NOCs) into aquatic environments is an important emerging water issue. This project aims to develop accurate environmental risk assessment of NOCs and to develop advanced technologies to effectively treat NOCs contaminated water and sites. The findings are expected to help guide the chemical industry to design more environmentally-friendly chemical products. The project is expected to broaden participation from underrepresented minorities and women in environmental chemistry/engineering and to provide training for future scientists and engineers in this cross-disciplinary area.This project focuses on examining reduction kinetics and mechanisms of a diverse range of NOCs by soluble Fe(II) species through a combination of experimental and theoretical approaches. Advanced experimental approaches, including kinetic, electrochemical cell, isotopic, spectroscopic and chromatographic approaches, are to be conducted to elucidate key elementary steps in NOC reductions, such as protonation, complexation, electron transfer and N-O bond cleavage. The most likely rate-limiting step of each subset of NOCs is to be identified by characterizing all of the stationary points in the relevant elementary steps along the reaction pathway. Molecular descriptors are being computed to develop quantitative structure-activity relationships so as to provide the community with quantifiable and experimentally grounded numbers that pertain to the susceptibility of N-O bonds to reductive cleavage in the environment.

凭借该奖项，化学部的环境化学科学项目正在资助天普大学的张惠春教授研究氮氧单键（N-O）作为可还原官能团在环境条件下的还原转化。 将含氮氧化物污染物 (NOC) 引入水生环境是一个重要的新出现的水问题。 该项目旨在对国家石油公司进行准确的环境风险评估，并开发先进技术来有效处理国家石油公司污染的水和场地。 研究结果预计将有助于指导化学工业设计更环保的化学产品。 该项目预计将扩大代表性不足的少数族裔和妇女对环境化学/工程的参与，并为这一跨学科领域的未来科学家和工程师提供培训。该项目的重点是通过可溶性物质来研究各种 NOC 的还原动力学和机制。 Fe(II) 物种通过实验和理论方法相结合。 将采用先进的实验方法，包括动力学、电化学电池、同位素、光谱和色谱方法，以阐明 NOC 还原中的关键基本步骤，例如质子化、络合、电子转移和 N-O 键断裂。 NOC 每个子集最可能的限速步骤是通过表征反应路径中相关基本步骤中的所有驻点来识别的。 正在计算分子描述符以开发定量的结构-活性关系，以便为社区提供可量化和基于实验的数据，这些数据与 N-O 键对环境中还原裂解的敏感性有关。