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Characterization of Heavily Contaminated Sites using NMR Spectroscopy
Poster Title: Characterization of Heavily Contaminated Sites using NMR Spectroscopy
Submitted on 13 Apr 2017
Author(s): Darcy Fallaise,1 Brent G. Pautler,2 Arvin Moser,2 James G. Longstaffe1
Affiliations: 1 School of Environmental Sciences, University of Guelph, Guelph, Canada N1G 2W1 2Advanced Chemistry Development, Inc. (ACD/Labs), 8 King Street East, Suite 107, Toronto, ON Canada, M5C 1B5
This poster was presented at 58th Experimental Nuclear Magnetic Resonance Conference (ENC 2017)
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Poster Information
Abstract: Groundwater is a vital part of our modern society, supplying a significant amount of the water we use in our homes, agricultural fields and industries every day. Given its importance, we are all affected by the environmental, health, and economic consequences when groundwater is polluted with hazardous chemical contaminants. Characterizing the nature and extent of contamination present at a site is a key step when developing risk assessments and implementing remedial solutions for contaminated groundwater. This information allows us to have a clearer understanding of what exactly is present, how it may have gotten there, and how it is responding to remedial activities. Conventional analytical approaches are usually designed for the targeted analysis of a suite of suspected contaminants. These methods, however, often fail to identify compounds that are not normally analyzed for, including degradation products, proprietary chemicals, and other species for which standards are not readily available. NMR spectroscopy provides a unique analytical approach to present a more complete and unbiased understanding of the nature and extent of organic compounds present at contaminated sites undergoing assessment and monitoring activities.
This poster discusses the use of 1D and 2D NMR experiments, including 1H, 13C, 19F, TOCSY, HSQC, DOSY and homonuclear J-Resolved, for the non-targeted analysis of constituents present at heavily contaminated sites.
Summary: NAPL characterization is challenging due to its high concentrations (% level) and often cannot be determined by traditional environmental analytical methods based on chromatographic separation and mass spectrometric detection. NMR spectroscopy provides a unique analytical approach to present a more complete an unbiased understanding of the composition of NAPLs at many contaminated sites.2References: 1 Pankow & Cherry, 1996, Dense Chlorinated Solvents and other DNAPLs in Groundwater. Waterloo Press. 2 Simpson et al. , Magn.
Reson. Chem. 2004, 42, 14. 3 ACD/C+H NMR Predictors, 2016,
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