title: Fractionation in position-specific isotope composition during vaporization of environmental pollutants measured with isotope ratio monitoring by ¹³C nuclear magnetic resonance spectrometry.
abstract: Isotopic fractionation of pollutants in terrestrial or aqueous environments is a well-recognized means by which to track different processes during remediation. As a complement to the common practice of measuring the change in isotope ratio for the whole molecule using isotope ratio monitoring by mass spectrometry (irm-MS), position-specific isotope analysis (PSIA) can provide further information that can be exploited to investigate source and remediation of soil and water pollutants. Position-specific fractionation originates from either degradative or partitioning processes. We show that isotope ratio monitoring by (13)C NMR (irm-(13)C NMR) spectrometry can be effectively applied to methyl tert-butylether, toluene, ethanol and trichloroethene to obtain this position-specific data for partitioning. It is found that each compound exhibits characteristic position-specific isotope fractionation patterns, and that these are modulated by the type of evaporative process occurring. Such data should help refine models of how remediation is taking place, hence back-tracking to identify pollutant sources.
authors.affiliation: EBSI Team, CEISAM, University of Nantes-CNRS UMR 6230, 2 rue de la Houssinière BP 92208, F-44322 Nantes, France.
authors.forename: Maxime
authors.initials: M
authors.lastname: Julien
authors.affiliation: University of Aix-Marseille-CNRS, Laboratoire Chimie Environnement FRE 3416, Place Victor Hugo 3, 13331 Marseille, France.
authors.forename: Julien
authors.initials: J
authors.lastname: Parinet
authors.affiliation: EBSI Team, CEISAM, University of Nantes-CNRS UMR 6230, 2 rue de la Houssinière BP 92208, F-44322 Nantes, France.
authors.forename: Pierrick
authors.initials: P
authors.lastname: Nun
authors.affiliation: EBSI Team, CEISAM, University of Nantes-CNRS UMR 6230, 2 rue de la Houssinière BP 92208, F-44322 Nantes, France.
authors.forename: Kevin
authors.initials: K
authors.lastname: Bayle
authors.affiliation: University of Aix-Marseille-CNRS, Laboratoire Chimie Environnement FRE 3416, Place Victor Hugo 3, 13331 Marseille, France.
authors.forename: Patrick
authors.initials: P
authors.lastname: Höhener
authors.affiliation: EBSI Team, CEISAM, University of Nantes-CNRS UMR 6230, 2 rue de la Houssinière BP 92208, F-44322 Nantes, France.
authors.forename: Richard J
authors.initials: RJ
authors.lastname: Robins
authors.affiliation: EBSI Team, CEISAM, University of Nantes-CNRS UMR 6230, 2 rue de la Houssinière BP 92208, F-44322 Nantes, France. Electronic address: gerald.remaud@univ-nantes.fr.
authors.forename: Gérald S
authors.initials: GS
authors.lastname: Remaud
mesh_terms: D002247:Carbon Isotopes / Q000032:analysis; D005591:Chemical Fractionation / Q000295:instrumentation / Q000379:methods*; D004784:Environmental Monitoring / Q000379:methods*; D004785:Environmental Pollutants / Q000032:analysis*; D000431:Ethanol / Q000032:analysis; D009682:Magnetic Resonance Spectroscopy / Q000295:instrumentation; D008738:Methyl Ethers / Q000032:analysis; D014050:Toluene / Q000032:analysis; D014241:Trichloroethylene / Q000032:analysis; D055549:Volatile Organic Compounds / Q000032:analysis*; D014835:Volatilization
chemical_list: D002247:Carbon Isotopes; D004785:Environmental Pollutants; D008738:Methyl Ethers; D055549:Volatile Organic Compounds; D014241:Trichloroethylene; C043243:methyl tert-butyl ether; D014050:Toluene; D000431:Ethanol
keywords: Isotope ratio monitoring by (13)C NMR spectrometry; Methyl tert-butylether; Position-specific isotope analysis; Trichloroethene; Vaporization