title: Enhanced forensic discrimination of pollutants by position-specific isotope analysis using isotope ratio monitoring by (13)C nuclear magnetic resonance spectrometry.
abstract: In forensic environmental investigations the main issue concerns the inference of the original source of the pollutant for determining the liable party. Isotope measurements in geochemistry, combined with complimentary techniques for contaminant identification, have contributed significantly to source determination at polluted sites. In this work we have determined the intramolecular (13)C profiles of several molecules well-known as pollutants. By giving additional analytical parameters, position-specific isotope analysis performed by isotope ratio monitoring by (13)C nuclear magnetic resonance (irm-(13)C NMR) spectrometry gives new information to help in answering the major question: what is the origin of the detected contaminant? We have shown that isotope profiling of the core of a molecule reveals both the raw materials and the process used in its manufacture. It also can reveal processes occurring between the contamination site 'source' and the sampling site. Thus, irm-(13)C NMR is shown to be a very good complement to compound-specific isotope analysis currently performed by mass spectrometry for assessing polluted sites involving substantial spills of pollutant.
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: 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: 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: 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: 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
keywords: Environmental forensic fingerprinting; Isotope ratio monitoring by (13)C NMR spectrometry; Methyl tert-butyl ether; Position-specific isotope analysis; Toluene; Trichloroethene