Comparison of headspace solid-phase microextraction high capacity fiber coatings based on dual mass spectrometric and broadband vacuum ultraviolet absorption detection for untargeted analysis of beer volatiles using gas chromatography

Zanella, Delphine; Anderson, Hailee E.; Selby, Talena; Magnuson, Robert H.; Liden, Tiffany; Schug, Kevin A.

doi:10.1016/j.aca.2020.10.026

Cited by 16 publications

(9 citation statements)

References 23 publications

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“…150 The tandem MS/VUV detection coupled with GC separation has proved to be powerful and particularly valuable for compound identification, especially for isomers and compounds with similar structures. 151 Alternatively, two analytical instruments are used synergistically. A total of 107 VOCs have been identified by GC-Q-Exactive Orbitrap, and 10 VOCs have been preliminarily selected as potential characteristic markers in different juices.…”

Section: ■ Spme In Food Analysismentioning

confidence: 99%

“…In particular, the synergetic characteristics of MS and FID open the possibility of performing multitarget quantitative profiling with great accuracy . The tandem MS/VUV detection coupled with GC separation has proved to be powerful and particularly valuable for compound identification, especially for isomers and compounds with similar structures . Alternatively, two analytical instruments are used synergistically.…”

Section: Spme In Food Analysismentioning

confidence: 99%

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Latest Improvements and Expanding Applications of Solid-Phase Microextraction

et al. 2023

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Section: ■ Spme In Food Analysismentioning

confidence: 99%

Section: Spme In Food Analysismentioning

confidence: 99%

Latest Improvements and Expanding Applications of Solid-Phase Microextraction

et al. 2023

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“…To identify and quantify DEG in beers, an analyteextraction step must be performed. 6 The most common extraction techniques used in beer analysis are solid-phase extraction, 7 solid-phase microextraction, 8,9 QuEChERS (quick, easy, cheap, effective, rugged, and safe) 10 and precipitation with organic solvents. 11 Liquid-liquid extraction with low-temperature partitioning (LLE/LTP) has proved to be an efficient tool for extracting several analytes from different matrices, such as water, 12 milk, 13 honey, 14 and urine.…”

Section: Introductionmentioning

confidence: 99%

Low-Temperature Partitioning: A Simple Screening Method for Determining Diethylene Glycol in Beer by Gas Chromatography

Azevedo¹,

Miranda²,

Queiroz³

et al. 2023

J. Braz. Chem. Soc.

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Diethylene glycol is an extremely toxic substance to humans. Recently, cases of beer contamination in Brazil have raised awareness of the need for developing simple screening methods to evaluate this type of compound. This research developed a liquid-liquid extraction with low-temperature partitioning technique to determine diethylene glycol in beer via gas chromatography. Employing a flame-ionization detector simplifies the method, lowers its cost and therefore, it can be used as screening step to assess the possibility of contamination. A gas chromatograph coupled to a mass spectrometer would be used only for a confirmatory analysis. The optimized method was validated for the main figures of merit, and it proved to be adequate, with good values of recovery rate (94-106%), limit of detection (3.0 mg L-1), and quantification (10.0 mg L-1). Accuracy, in terms of repeatability and intermediate accuracy, showed variation coefficients lower than or equal to 20%. This method was applied to 28 samples of beers marketed in Brazil, and diethylene glycol was found above the limit of detection in three of them (10.7%). These results were confirmed by a gas chromatograph coupled to a mass spectrometer, which showed the reliability of the screening method for determining diethylene glycol in beer samples.

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“…24 Also, the use of GC−VUV, combined with MS and retention indices, was reported for the untargeted analysis of beer volatiles. 25 MS is a favored technique to be operated in parallel with FTIR to provide complementary information of both molecular/fragment ion m/z data and spectroscopic vibrations/functional groups of the studied compounds. 10,11 Combined with GC retention index (I) data, 21,26 improved certainty and confidence in the identification of components have been proposed.…”

mentioning

confidence: 99%

“…Recently, molecular modeling for GC–vacuum ultraviolet (VUV) detection data was reported for the analysis of petrochemical compounds, polycyclic aromatic hydrocarbons, and isomeric designer drugs . Also, the use of GC–VUV, combined with MS and retention indices, was reported for the untargeted analysis of beer volatiles …”

mentioning

confidence: 99%

Structure Elucidation Using Gas Chromatography−Infrared Spectroscopy/Mass Spectrometry Supported by Quantum Chemical IR Spectrum Simulations

et al. 2021

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An improved strategy for compound identification incorporating gas chromatography hyphenated with Fourier transform infrared spectroscopy and mass spectroscopy (GC− FTIR/MS) is reported. (Over)reliance on MS may lead either to ambiguous identity or to incorrect identification of a compound. However, the MS result is useful to provide a cohort of possible compounds. The IR result for each tentative compound match was then simulated using molecular modeling, to provide functional group and isomer differentiation information, and then compared with the experimental FTIR result, offering identification based on both MS and IR. Several basis sets were evaluated for IR simulations; Def2-TZVPP was a suitable basis set and correlated well with experimental data. The approach was applied to industrial applications, confirming the isomers of 2,3-bis(thiosulfanyl)-but-2-enedinitrile, bromination products of 1-bromo-2,3dimethylbenzene, and autoxidative degradation of phenyl-di-tert-butylphosphine.

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Comparison of headspace solid-phase microextraction high capacity fiber coatings based on dual mass spectrometric and broadband vacuum ultraviolet absorption detection for untargeted analysis of beer volatiles using gas chromatography

Cited by 16 publications

References 23 publications

Latest Improvements and Expanding Applications of Solid-Phase Microextraction

Latest Improvements and Expanding Applications of Solid-Phase Microextraction

Low-Temperature Partitioning: A Simple Screening Method for Determining Diethylene Glycol in Beer by Gas Chromatography

Structure Elucidation Using Gas Chromatography−Infrared Spectroscopy/Mass Spectrometry Supported by Quantum Chemical IR Spectrum Simulations

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