COLLABORATIVE RESEARCH: Advanced Solid-State NMR Characterization of Non-Covalent Interactions of Organic Compounds in Soil and Sediment Organic Matter

该奖项是根据2009年美国复苏和再投资法案（公法111-5）资助的。土壤固体的土壤/沉积物有机质（SOM）组分的吸附控制着环境中非离子有机化合物的命运，是影响分析化学决策、风险评估和特定污染物修复策略的潜在过程。虽然核磁共振光谱是一种潜在的强大的分子尺度工具，但由于分辨率较差，迄今为止，它对固态SOM的吸附机制提供的见解有限。然而，在过去几年中，其中一个pi在固态核磁共振（1H, 13C， 129Xe和2D分析）的采集和光谱编辑技术方面取得了重大进展，这些技术已经获得了有关SOM固体结构的有价值的新信息。pi将应用许多这些技术，结合吸附实验，以获得有关吸附复合物性质的信息。重点材料将包括腐植酸颗粒、全土壤和分离SOM、黑碳标准、煤炭参考标准和聚合物标准。目的是：a)探测SOM在吸附过程中发生的结构变化；b)在足够大的尺度上，在化学均匀的区域中探测SOM的优先吸附位点，以作为单独的吸附域；c)量化熔接环的含量和大小及其对吸附亲和力的影响。这项工作的结果将影响研究的设计方式以及环境工程和科学中主要概念的教授方式。由于改进了吸收过程的概念模型，社会将广泛受益于风险评估和补救设计方法的变化。此次合作将显著建立研究基础设施，因为它将为环境工程和核磁共振科学探索开辟更多的途径。印第安人通过与部落学院的联系而参与进来，是这项工作所能带来的教育效益的一个重要特征。皮纳泰罗研究小组的博士后已经在一些机构获得了教职，他们可能会增加代表性不足的人群对STEM学科的参与。为科学教师开发的联机资源课程材料将能够有效地向K-12年级传播结果。

This award is funded under the American Recovery and Reinvestment Act of 2009 (Public Law 111-5).0853682 and 0853950Pignatello and MaoSorption by the soil/sediment organic matter (SOM) fraction of geosolids controls the fate of nonionic organic compounds in the environment, and is an underlying process affecting decision-making in analytical chemistry, risk assessment, and remediation strategy for specific pollutants. While NMR spectroscopy is potentially a powerful molecular-scale tool, it has so far provided limited insight into the mechanisms of sorption by solid-state SOM due to poor resolution. In the last few years, however, significant advances many by one of the PIs have been made in acquisition and spectral editing techniques of solid state NMR (1H, 13C, 129Xe and 2D analysis) that have yielded valuable new information about the structure of SOM solids. The PIs will apply many of these techniques, in combination with sorption experiments, to gain information about the nature of the sorbed complex. Materials of focus will include humic acid particles, whole soils and isolated SOM, black carbon standards, coal reference standards, and polymer standards. The objectives are: a) to probe structural changes of SOM taking place during sorption; b) to probe preferential sites of sorption in SOM in regions chemically homogeneous on a scale large enough to serve as separate sorption domains; and c) to quantify fused ring content and size and their influence on sorption affinity.The results of this work will influence the way research is designed and the way major concepts are taught in environmental engineering and science. Society will benefit broadly by changes in approaches to risk assessment and remediation design that will result from an improved conceptual model of the sorption process. The collaboration will significantly build research infrastructure because it will open additional avenues that can be explored in environmental engineering and science with NMR. The involvement of Native Americans through connections to tribal colleges is a strong feature of the educational benefits that can be derived from this work. Post-docs from the Pignatello research group have secured faculty positions at institutions where they will likely increase participation of under-represented populations to STEM disciplines. The curriculum materials to be developed for on-line resources for science teachers would allow effective dissemination of results to the K-12 level.