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Accurate Method for the Determination of Intramolecular 13C Isotope Composition of Ethanol from Aqueous Solutions.

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Title: Accurate Method for the Determination of Intramolecular 13C Isotope Composition of Ethanol from Aqueous Solutions.
Authors: Gilbert, Alexis1 gilbert.a.aa@m.titech.ac.jp, Yamada, Keita1, Yoshida, Naohiro1,2
Source: Analytical Chemistry. 7/16/2013, Vol. 85 Issue 14, p6566-6570. 5p.
Subjects: Carbon isotopes, Ethanol, Solid phase extraction, Pyrolysis, Mass spectrometry, Intramolecular isotope effects, Alcoholic beverage analysis
Abstract: A new method, combining headspace solid phase microextraction (HS-SPME) with an online pyrolysis system coupled with isotope ratio mass spectrometry (IRMS), is developed for the determination of the intramolecular 13C isotope composition of ethanol in aqueous solutions. The δ13C values of the pyrolytic fragments (CO, CH4, C2H4) are shown to be highly reproducible (sd <0.4‰). Furthermore, using 14 ethanol samples of known intramolecular isotope distribution, the CO and CH4 fragments are shown to arise solely from the methylene (CH2OH) and methyl (CH3) carbon atom positions of the original ethanol, respectively. Although the different steps (extraction and pyrolysis) fractionate between 12C and 13C, the isotopic fractionation is reproducible (sd <0.4‰), allowing correcting factors to be applied in order to back-calculate the original δ13CCH2OH and δ13CCH3 values of ethanol. The method thus allows the determination of the isotope composition of ethanol at the intramolecular and molecular levels, within a single run and a short experimental time (30 min), and with a very easy sample preparation. The method is then applied to alcoholic beverages to show its potential for authentication purposes. [ABSTRACT FROM AUTHOR]
Copyright of Analytical Chemistry is the property of American Chemical Society and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: &lt;searchLink fieldCode=&quot;JN&quot; term=&quot;%22Analytical+Chemistry%22&quot;&gt;Analytical Chemistry&lt;/searchLink&gt;. 7/16/2013, Vol. 85 Issue 14, p6566-6570. 5p.
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  Data: A new method, combining headspace solid phase microextraction (HS-SPME) with an online pyrolysis system coupled with isotope ratio mass spectrometry (IRMS), is developed for the determination of the intramolecular 13C isotope composition of ethanol in aqueous solutions. The δ13C values of the pyrolytic fragments (CO, CH4, C2H4) are shown to be highly reproducible (sd &lt;0.4‰). Furthermore, using 14 ethanol samples of known intramolecular isotope distribution, the CO and CH4 fragments are shown to arise solely from the methylene (CH2OH) and methyl (CH3) carbon atom positions of the original ethanol, respectively. Although the different steps (extraction and pyrolysis) fractionate between 12C and 13C, the isotopic fractionation is reproducible (sd &lt;0.4‰), allowing correcting factors to be applied in order to back-calculate the original δ13CCH2OH and δ13CCH3 values of ethanol. The method thus allows the determination of the isotope composition of ethanol at the intramolecular and molecular levels, within a single run and a short experimental time (30 min), and with a very easy sample preparation. The method is then applied to alcoholic beverages to show its potential for authentication purposes. [ABSTRACT FROM AUTHOR]
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  Data: &lt;i&gt;Copyright of Analytical Chemistry is the property of American Chemical Society and its content may not be copied or emailed to multiple sites without the copyright holder&#39;s express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.&lt;/i&gt; (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1021/ac401021p
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 5
        StartPage: 6566
    Subjects:
      – SubjectFull: Carbon isotopes
        Type: general
      – SubjectFull: Ethanol
        Type: general
      – SubjectFull: Solid phase extraction
        Type: general
      – SubjectFull: Pyrolysis
        Type: general
      – SubjectFull: Mass spectrometry
        Type: general
      – SubjectFull: Intramolecular isotope effects
        Type: general
      – SubjectFull: Alcoholic beverage analysis
        Type: general
    Titles:
      – TitleFull: Accurate Method for the Determination of Intramolecular 13C Isotope Composition of Ethanol from Aqueous Solutions.
        Type: main
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          Name:
            NameFull: Gilbert, Alexis
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            NameFull: Yamada, Keita
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            NameFull: Yoshida, Naohiro
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          Dates:
            – D: 16
              M: 07
              Text: 7/16/2013
              Type: published
              Y: 2013
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              Value: 00032700
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              Value: 85
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              Value: 14
          Titles:
            – TitleFull: Analytical Chemistry
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