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)获得资助的。0853682和0853950土壤/沉积物有机质(SOM)部分的Pignatello和Mao吸附控制着环境中非离子有机化合物的命运，是影响特定污染物的分析化学、风险评估和补救战略决策的基本过程。虽然核磁共振光谱学是一种潜在的强大的分子尺度工具，但由于分辨率较低，到目前为止，它对固态SOM的吸附机制提供的洞察有限。然而，在过去的几年中，在固体核磁共振(1H、13C、129Xe和2D分析)的获取和光谱编辑技术方面取得了许多重大进展，产生了关于SOM固体结构的有价值的新信息。PI将应用其中的许多技术，结合吸附实验，以获得有关被吸附复合体的性质的信息。重点材料将包括腐植酸颗粒、整个土壤和孤立的SOM、炭黑标准、煤炭参考标准和聚合物标准。其目的是：a)探索SOM在吸附过程中发生的结构变化；b)在化学上均一的区域中探索SOM中的优先吸附位置，以足够大的规模作为独立的吸附结构域；以及c)量化融合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环境工程和科学的研究设计和主要概念的教授方式。社会将广泛受益于风险评估和补救设计方法的变化，这些变化将导致吸收过程概念模型的改进。这项合作将大大建立研究基础设施，因为它将开辟更多的途径，可以利用核磁共振在环境工程和科学方面进行探索。美洲原住民通过与部落大学的联系参与进来，是这项工作可以获得的教育好处的一个重要特征。来自皮格纳特罗研究小组的博士后们已经在机构获得了教职，在那里他们可能会增加代表不足的人群对STEM学科的参与。将为科学教师编写的在线资源课程材料将使成果能够有效地传播到K-12级。

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.