FullSpectrumIsotopic(13)CNMRUsingPolarizationTransferforPosition-Specifi cIsotopeAnalysis

Autor: Joubert, Valentin, Silvestre, Virginie, Grand, Mathilde, Loquet, Denis, Ladroue, Virginie, Besacier, Fabrice, Akoka, Serge, Remaud, Gerald S.
Přispěvatelé: Nutrition, Aquaculture et Génomique (NUAGE), Institut National de la Recherche Agronomique (INRA)-Université Sciences et Technologies - Bordeaux 1-Institut Français de Recherche pour l'Exploitation de la Mer (IFREMER), Chimie Et Interdisciplinarité : Synthèse, Analyse, Modélisation (CEISAM), Université de Nantes - Faculté des Sciences et des Techniques, Université de Nantes (UN)-Université de Nantes (UN)-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS), Laboratoire de Police Scientifique de Lyon (INPS), Institut National de la Police Scientifique, Laboratoire d'analyse isotopique et électrochimique de metabolismes (LAIEM), Université de Nantes (UN)-Centre National de la Recherche Scientifique (CNRS), Université de Nantes - UFR des Sciences et des Techniques (UN UFR ST), Université de Nantes (UN)-Université de Nantes (UN)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)
Jazyk: angličtina
Rok vydání: 2018
Předmět:
Zdroj: Analytical Chemistry
Analytical Chemistry, American Chemical Society, 2018, 90 (14), pp.8692-8699. ⟨10.1021/acs.analchem.8b02139⟩
ISSN: 0003-2700
1520-6882
Popis: International audience; For the last ten years, quantitative isotope ratio monitoring C-13 NMR (irm-C-13 NMR) has been successfully tested and proven as an efficient tool for the determination of position-specific C-13/C-12 ratios. Several applications in different domains have shown the interest in this technique. In the context of origin assignment, the possibility to track the distribution network of illicit drugs or cutting agents is of prime importance. However irm-C-13 NMR still suffers from a relative lack of sensitivity limiting its dissemination among control laboratories. Improvements were proposed to reduce experiment time by using the INEPT sequence (''Insensitive Nuclei Enhanced by Polarization Transfer'') based on polarization transfer from highly sensitive H-1 to less sensitive( 13)C. Several applications based on the use of the one bond scalar coupling between H-1 and C-13 ((1)J(CH)) have shown the potential of this methodology in terms of short experimental duration. However, the isotopic information given by quaternary carbons was lost. The aim of this study is to extend this approach by using short- and long-range coupling ((1)J(CH), (2)J(CH), and (3)J(CH)) in order to have access to all C-13/C-12 position-specific ratios, i.e., acquisition of the full spectrum (FS-INEPT). It is shown that this innovative tool provides both sensitivity gain-thanks to the long-range polarization transfer-and appropriate repeatability. The relative isotopic profiles allowed the classification of two cutting agents, caffeine and paracetamol (acetaminophen), according to their origin, as it was previously observed with ``classical'' irm-C-13 NMR but consuming much less sample and/or reducing the experimental time.
Databáze: OpenAIRE
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