Photochemical Fate of Dissolved Amino Acids in Natural Aquatic Environment

天然水生环境中溶解氨基酸的光化学归宿

• 批准号: 1808052
• 负责人: Daisuke Minakata
• 金额: $ 34.78万
• 依托单位: Michigan Technological University
• 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: 2018-09-01 至 2022-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1808052&HistoricalAwards=false
• 关键词: Photochemical; Fate; Dissolved; Amino; Acids

This award from the Environmental Chemical Sciences Program in the Division of Chemistry supports Profs. Daisuke Minakata and Paul Doskey from Michigan Technological University. They study the reactions of free amino acids in natural freshwater with light. Understanding and predicting these processes is important because nitrogen-containing free amino acids and their degradation products are involved in global nitrogen-cycling. They also affect biological activity in natural aquatic environments. The effluent of wastewater contains amino acids as one of the major components. The findings from this study address the impact of nitrogen-containing contaminants to aquatic systems that receive treated municipal wastewater. The project includes outreach activities to K-12 high school students in the Detroit region through a summer youth intern program. This program promotes the participation and retention of underrepresented groups in the environmental science field. A webinar is being developed based on the findings of this study to raise public awareness of water safety and security in freshwater systems and the importance of protecting ecosystems from contaminants. This award supports computational and experimental research and education to predict the photolytic and elementary reaction pathways of free amino acid transformation. This transformation is induced by direct photolysis and indirect oxidation by photochemically produced reactive intermediates. The researchers use computational chemistry tools to identify the fundamental elementary reaction pathways of representative free amino acids transformation. The research team then predicts the kinetics information of each identified elementary reaction pathway. Finally, a kinetic model based on elementary reactions is developed to predict the time-dependent concentration profiles of free amino acids and their transformation products in environmentally relevant conditions. The predicted concentration profiles are compared to laboratory-scale experimental observations to validate the kinetic model.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.

该奖项来自化学系环境化学科学项目，支持教授。来自密歇根理工大学的 Daisuke Minakata 和 Paul Doskey。他们研究天然淡水中游离氨基酸与光的反应。了解和预测这些过程非常重要，因为含氮游离氨基酸及其降解产物参与全球氮循环。它们还影响自然水生环境中的生物活性。废水的排出物含有氨基酸作为主要成分之一。这项研究的结果解决了含氮污染物对接收经过处理的城市废水的水生系统的影响。该项目包括通过暑期青年实习计划向底特律地区的 K-12 高中生开展外展活动。该计划促进环境科学领域代表性不足的群体的参与和保留。正在根据这项研究的结果举办一次网络研讨会，以提高公众对淡水系统水安全和保障以及保护生态系统免受污染物影响的重要性的认识。该奖项支持计算和实验研究及教育，以预测游离氨基酸转化的光解和基元反应途径。这种转变是由光化学产生的反应中间体的直接光解和间接氧化诱导的。研究人员使用计算化学工具来确定代表性游离氨基酸转化的基本基本反应途径。然后研究小组预测每个已识别的基本反应途径的动力学信息。最后，开发了基于基元反应的动力学模型，以预测环境相关条件下游离氨基酸及其转化产物的时间依赖性浓度曲线。将预测的浓度分布与实验室规模的实验观察进行比较，以验证动力学模型。该奖项反映了 NSF 的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。

项目成果

Elementary reaction-based kinetic model for the fate of N -nitrosodimethylamine under UV oxidation

基于基本反应的 N-亚硝基二甲胺在紫外氧化下的命运动力学模型

• DOI: 10.1039/d1ew00262g
• 发表时间: 2021-08
• 期刊: Environmental Science: Water Research & Technology
• 作者: Barrios, Benjamin;Kamath, Divya;Coscarelli, Erica;Minakata, Daisuke
• 通讯作者: Minakata, Daisuke

Mechanistic Insight into the Reactivities of Aqueous-Phase Singlet Oxygen with Organic Compounds

水相单线态氧与有机化合物反应的机理洞察

• DOI: 10.1021/acs.est.1c01712
• 发表时间: 2021-06
• 期刊: Environmental Science & Technology
• 影响因子: 11.4
• 作者: Barrios, Benjamin;Mohrhardt, Benjamin;Doskey, Paul V.;Minakata, Daisuke
• 通讯作者: Minakata, Daisuke