Comparison of IRMS and NMR spectrometry for the determination of intramolecular 13C isotope composition: Application to ethanol

Gilbert, Alexis; Hattori, Ryota; Silvestre, Virginie; Wasano, Nariaki; Akoka, Serge; Hirano, Seishiro; Yamada, Keita; Yoshida, Naohiro; Remaud, Gérald S.

doi:10.1016/j.talanta.2012.05.023

Cited by 32 publications

(30 citation statements)

References 24 publications

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“…Trueness is not an issue when working with relative profiles for classification purposes, once the required repeatability is met, as it is in the present study. The homogeneity (inter‐comparison) of the δ 13 C i value should be addressed from an international point of view using a consensual standard sample in which δ 13 C i have been determined independently by combined techniques . We therefore focused the discussion on the usefulness of each method regarding commercial samples and/or emerging issues.…”

Section: Resultsmentioning

confidence: 99%

“…Thus, the δ 13 C and δ 2 H ratios of the methoxy group were analysed on gaseous methyl iodide (CH 3 I) after appropriate chemical reaction. 11,19 Alternatively, fragmentation is achieved by pyrolysis, fragmenting molecules in a ceramic oven (~1000 °C) coupled with on-line irm-MS. [20][21][22] Although this is effective for small molecules such as lactic acid and acetic acid, 23 and ethanol, 24,25 only one article was devoted to vanillin, but with no focus on position-specific information. 26 None of these methods give a full picture of the amount of each isotopomer 2 H and 13 C of vanillin.…”

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Combination of ¹³C and ²H SNIF‐NMR isotopic fingerprints of vanillin to control its precursors

Guyader

Thomas

Jamin

et al. 2019

Flavour & Fragrance J

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Synthetic vanillin is the flavouring most used in agro‐food industries, but more and more frequently consumers are now turning to natural origin. Vanilla planifolia (Andrews) is the most commercialized species of pods in the world and is mainly produced in Madagascar. However, periodically the production of V. planifolia suffers from poor climatic conditions, with the resulting degradation of both the quality and the quantity of the pods. Consequently, the price of vanilla pods rose to record in 2017 and the risk of fraud has increased in response. Analytical methods based on isotopic compositions have already proven their ability to ensure the authenticity of natural vanillin. In 2006, 2H SNIF‐NMR (site‐specific natural isotopic fractionation by nuclear magnetic resonance) was approved as official method by the Association of Official Analytical Chemists (AOAC 2006.05). However, this method is time consuming and the extraction of 1 g is cumbersome for the finished products. The information brought by combined 2H and 13C SNIF‐NMR profiles was compared using chemometric tools to determine the best routine tool to improve both the global analysis time and the potential of detection. As a result of this work the ability of the SNIF‐NMR method to verify the authenticity of vanillin has been improved, in particular by providing the first means to discern the geographical origin of vanilla pods. Furthermore, 13C NMR using pulse sequences such as INEPT (insensitive nuclei enhanced by polarization transfer) offers the possibility to improve the sensitivity of the analysis, with a reduced quantity of product (less than 50 mg) and a shorter analysis time, which will facilitate the study of the finished matrices as well as clearly discriminating the origins of the vanilla flavourings.

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Section: Resultsmentioning

confidence: 99%

mentioning

confidence: 99%

Combination of ¹³C and ²H SNIF‐NMR isotopic fingerprints of vanillin to control its precursors

Guyader

Thomas

Jamin

et al. 2019

Flavour & Fragrance J

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“…The long‐term stability of this procedure was also demonstrated using natural abundance samples . The trueness of irm‐ 13 C NMR was assessed by Gilbert et al . and Bayle et al ., based on a comparison of NMR to the Py‐GC/IRMS method on small molecules such as ethanol and acetic acid.…”

Section: Irm‐13c Nmrmentioning

confidence: 99%

The new face of isotopic NMR at natural abundance

Jézéquel

Joubert

Giraudeau

et al. 2016

Magnetic Reson in Chemistry

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The most widely used method for isotope analysis at natural abundance is isotope ratio monitoring by Mass Spectrometry (irm-MS) which provides bulk isotopic composition in H, C, N, O or S. However, in the 1980s, the direct access to Site-specific Natural Isotope Fractionation by Nuclear Magnetic Resonance (SNIF-NMR ) was immediately recognized as a powerful technique to authenticate the origin of natural or synthetic products. The initial - and still most popular - application consisted in detecting the chaptalization of wines by irm- H NMR. The approach has been extended to a wide range of methodologies over the last decade, paving the way to a wide range of applications, not only in the field of authentication but also to study metabolism. In particular, the emerging irm- C NMR approach delivers direct access to position-specific C isotope content at natural abundance. After highlighting the application scope of irm-NMR ( H and C), this article describes the major improvements which made possible to reach the required accuracy of 1‰ (0.1%) in irm- C NMR. The last part of the manuscript summarizes the different steps to perform isotope analysis as a function of the sample properties (concentration, peak overlap) and the kind of targeted isotopic information (authentication, affiliation). Copyright © 2016 John Wiley & Sons, Ltd.

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“…Alternatively fragmentation is done by pyrolysis, coupled on-line to irm-MS (Corso and Brenna, 1997;Dias et al, 2002;Yamada et al, 2002). While this is effective for small molecules such as lactic and acetic acids (Hattori et al, 2011), ethanol (Gilbert et al, 2012) and methyl tert-butylether (MTBE) (Gauchotte et al, 2009), it is not applicable to larger compounds. A similar approach has been proposed for the determination of the intramolecular composition of isoproturon by combining an injector/ capillary reactor coupled to irm-GC/MS (Penning and Elsner, 2007).…”

Section: Introductionmentioning

confidence: 99%

Fractionation in position-specific isotope composition during vaporization of environmental pollutants measured with isotope ratio monitoring by 13C nuclear magnetic resonance spectrometry

Julien

Parinet

Nun

et al. 2015

Environmental Pollution

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Comparison of IRMS and NMR spectrometry for the determination of intramolecular 13C isotope composition: Application to ethanol

Cited by 32 publications

References 24 publications

Combination of ¹³C and ²H SNIF‐NMR isotopic fingerprints of vanillin to control its precursors

Combination of ¹³C and ²H SNIF‐NMR isotopic fingerprints of vanillin to control its precursors

The new face of isotopic NMR at natural abundance

Fractionation in position-specific isotope composition during vaporization of environmental pollutants measured with isotope ratio monitoring by 13C nuclear magnetic resonance spectrometry

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Comparison of IRMS and NMR spectrometry for the determination of intramolecular 13C isotope composition: Application to ethanol

Cited by 32 publications

References 24 publications

Combination of 13C and 2H SNIF‐NMR isotopic fingerprints of vanillin to control its precursors

Combination of 13C and 2H SNIF‐NMR isotopic fingerprints of vanillin to control its precursors

The new face of isotopic NMR at natural abundance

Fractionation in position-specific isotope composition during vaporization of environmental pollutants measured with isotope ratio monitoring by 13C nuclear magnetic resonance spectrometry

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Combination of ¹³C and ²H SNIF‐NMR isotopic fingerprints of vanillin to control its precursors

Combination of ¹³C and ²H SNIF‐NMR isotopic fingerprints of vanillin to control its precursors