Project 6. Structure and Properties of Metal Oxide Particle-Adsorbate Systems

项目 6. 金属氧化物颗粒吸附物体系的结构和性能

基本信息

批准号：
8829846
负责人：
ERWIN D POLIAKOFF
金额：
$ 19.96万
依托单位：
LOUISIANA STATE UNIV A&M COL BATON ROUGE
依托单位国家：
美国
项目类别：
财政年份：
资助国家：
美国
起止时间：
至 2019-03-31
项目状态：
已结题

来源：
https://reporter.nih.gov/project-details/8829846
关键词：
Affect Animals Aromatic Hydrocarbons Benign Binding Biochemical Breathing Characteristics Chemicals Chemistry Collaborations Complex Copper Data Dose Electron Transport Electronics Electrons Environment Free Radical Formation Free Radicals Generations Growth Health Hour Human Incineration Investigation Iron Lead Measurement Mediating Metals Methods Microscopic Modeling Molecular Nanostructures Nickel Oxidative Stress Particulate Matter Pentachlorophenol Poison Pollution Process Production Property Reaction Research Research Personnel Respiratory System Roentgen Rays Role Seeds Soil Soot Source Spectrum Analysis Structure Superfund Surface System Toxic effect Transition Elements Ultrafine Wood material Work X ray spectroscopy base density design electronic structure fly ash geometric structure innovation interest interfacial metal oxide molecular dynamics nanoparticle particle planetary Atmosphere pollutant research study superfund site toxic metal treatment site ultrafine particle wasting

项目摘要

Environmentally persistent free radicals (EPFRs) are formed on surfaces of transition metal oxides when molecules chemisorb on them. Electron transfer from the molecule to the metal results in reduction of the metal and the creation of spin density on the organic molecular adsorbate, i.e., formation of the EPFR. These "interfacial pollutants" are relatively stable (i.e., persisting for hours or days), so they can enter the environment and have deleterious health effects. Moreover, these systems are particularly prevalent at Superfund sites, so it is essential that they be studied and characterized in order to understand their roles in human health impacts in the vicinity of Superfund sites. However, these systems are complex and difficult to characterize, so we have designed this project to understand the detailed structural and chemical transformations that are responsible for their creation. Specifically, this project explores the physical and chemical characteristics of these particle-bound pollutants primarily using x-ray spectroscopy and TEM analysis. There are three Specific Aims: (1) Develop methods for controlled, reproducible generation of metal oxide-containing nanoparticles as surrogates of nanoclusters found in real-world environments, (2) Characterize the metal nanoparticles, structurally and electronically, and (3) Determine the surface processes and interactions of CHCs that lead to the formation of persistent free radicals and other toxic pollutants. This project characterizes the electron properties of the particle surface, which is indispensable for the other projects. Collaboration with Project 1 will lead to understanding of the structure and electronic properties of the EPFRs, which will allow those researchers to understand the factors affecting EPFR formation and reactivity. It generates background for studies of EPFRs in Superfund soils in Project 3. It similarly provides the chemistry necessary to understand the health effects induced by inhalation of EPFRs demonstrated in biomedical projects 2, 4, and 5. Finally, the structural characterization of the metal oxide particles and the surface-bound molecules will be indispensable for both the Computational Core, as well as the Materials Core.

当分子上的化学异晶石上的分子上，在过渡金属氧化物的表面上形成了环境持续的自由基（EPFR）。电子从分子到金属的转移导致金属的降低和在有机分子吸附物上的旋转密度的产生，即EPFR的形成。这些“界面污染物”相对稳定（即持续数小时或数天），因此它们可以进入环境并具有有害的健康影响。此外，这些系统在超级基金站点尤为普遍，因此必须对其进行研究和表征，以了解它们在超级基金站点附近的人类健康影响中的作用。但是，这些系统很复杂且难以表征，因此我们设计了这个项目，以了解负责其创造的详细结构和化学转化。具体而言，该项目主要使用X射线光谱和TEM分析探索这些粒子结合污染物的物理和化学特征。 There are three Specific Aims: (1) Develop methods for controlled, reproducible generation of metal oxide-containing nanoparticles as surrogates of nanoclusters found in real-world environments, (2) Characterize the metal nanoparticles, structurally and electronically, and (3) Determine the surface processes and interactions of CHCs that lead to the formation of persistent free radicals and other toxic pollutants.该项目表征了粒子表面的电子特性，对于其他项目来说是必不可少的。与项目1的合作将导致对EPFR的结构和电子特性的理解，这将使这些研究人员能够理解影响EPFR形成和反应性的因素。它产生了项目3中超级基金土壤中EPFR的研究背景。类似地，它提供了必要的化学方法，以了解在生物医学项目2、4和5中所证明的EPFR引起的健康效应所必需的化学效果。最后，金属氧化物颗粒的结构表征和表面结合分子的结构表征对于两种计算核心都是不可分配的。