In-Situ Molecular-Level Elucidation of Organofluorine Binding Sites in a Whole Peat Soil

The chemical nature of xenobiotic binding sites in soils is of vital importance to environmental biogeochemistry. Interactions between xenobiotics and the naturally occurring organic constituents of soils are strongly correlated to environmental persistence, bioaccessibility, and ecotoxicity. Nevert...

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Bibliographic Details
Published in:Environmental science & technology 2012-10, Vol.46 (19), p.10508-10513
Main Authors: Longstaffe, James G, Courtier-Murias, Denis, Soong, Ronald, Simpson, Myrna J, Maas, Werner E, Fey, Michael, Hutchins, Howard, Krishnamurthy, Sridevi, Struppe, Jochem, Alaee, Mehran, Kumar, Rajeev, Monette, Martine, Stronks, Henry J, Simpson, André J
Format: Article
Language:English
Subjects:
Albumins - chemistry
Albumins - metabolism
Analysis methods
Applied sciences
Binding Sites
Biological and physicochemical properties of pollutants. Interaction in the soil
Caprylates - chemistry
Caprylates - metabolism
Chemical compounds
Earth sciences
Earth, ocean, space
Engineering and environment geology. Geothermics
Environmental science
Exact sciences and technology
Fluorine Compounds - analysis
Fluorine Compounds - chemistry
Fluorine Compounds - metabolism
Fluorine Radioisotopes
Fluorocarbons - chemistry
Fluorocarbons - metabolism
Humic Substances - analysis
Lignin
Lignin - chemistry
Lignin - metabolism
Magnetic Resonance Spectroscopy - methods
Molecules
NMR
Nuclear magnetic resonance
Pollution
Pollution, environment geology
Proteins
Soil - chemistry
Soil and sediments pollution
Soil contamination
Spectrum analysis
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Summary:The chemical nature of xenobiotic binding sites in soils is of vital importance to environmental biogeochemistry. Interactions between xenobiotics and the naturally occurring organic constituents of soils are strongly correlated to environmental persistence, bioaccessibility, and ecotoxicity. Nevertheless, because of the complex structural and chemical heterogeneity of soils, studies of these interactions are most commonly performed indirectly, using correlative methods, fractionation, or chemical modification. Here we identify the organic components of an unmodified peat soil where some organofluorine xenobiotic compounds interact using direct molecular-level methods. Using 19F→1H cross-polarization magic angle spinning (CP-MAS) nuclear magnetic resonance (NMR) spectroscopy, the 19F nuclei of organofluorine compounds are used to induce observable transverse magnetization in the 1H nuclei of organic components of the soil with which they interact after sorption. The observed 19F→1H CP-MAS spectra and dynamics are compared to those produced using model soil organic compounds, lignin and albumin. It is found that lignin-like components can account for the interactions observed in this soil for heptafluoronaphthol (HFNap) while protein structures can account for the interactions observed for perfluorooctanoic acid (PFOA). This study employs novel comprehensive multi-phase (CMP) NMR technology that permits the application of solution-, gel-, and solid-state NMR experiments on intact soil samples in their swollen state.
ISSN:0013-936X
1520-5851
DOI:10.1021/es3026769