Investigation of Solid Phase Microextraction Gas Chromatography–Mass Spectrometry, Fourier Transform Infrared Spectroscopy and <sup>1</sup>H qNMR Spectroscopy as Potential Methods for the Authentication of Baijiu Spirits
The baijiu spirit is often the focus of fraudulent activity due to the widely varying prices of the products. In this work, Solid Phase Microextraction Gas Chromatography (SPME GCMS), Fourier Transform Infrared (FTIR) Spectroscopy and <sup>1</sup>H qNMR spectroscopy were evaluated as pot...
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-03-01
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| Series: | Beverages |
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| Online Access: | https://www.mdpi.com/2306-5710/9/1/25 |
| _version_ | 1797613411731767296 |
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| author | Neil Fitzgerald John C. Edwards |
| author_facet | Neil Fitzgerald John C. Edwards |
| author_sort | Neil Fitzgerald |
| collection | DOAJ |
| description | The baijiu spirit is often the focus of fraudulent activity due to the widely varying prices of the products. In this work, Solid Phase Microextraction Gas Chromatography (SPME GCMS), Fourier Transform Infrared (FTIR) Spectroscopy and <sup>1</sup>H qNMR spectroscopy were evaluated as potential methods to authenticate baijiu samples. Data were collected for 30 baijiu samples produced by seven different distilleries. The data from the SPME GCMS and FTIR methods were treated by a Principal Component Analysis to identify clusters that would suggest chemical differences in the products from different distilleries. The results suggest that SPME GCMS has the potential to be a fully portable method for baijiu authentication. FTIR did not appear suitable for authentication but can be used to find the %ABV range of the sample. <sup>1</sup>H quantitative NMR (<sup>1</sup>H qNMR) was utilized to quantify the ethanol concentrations and calculate the observable congener chemistry comprising ester, ethanol, methanol, fusel alcohol, and organic acids. Discrepancies in ethanol content were observed in three samples, and a lack of major congeners in two samples indicates the possible presence of a counterfeit product. Detailed and quantitative congener chemistry is obtainable by NMR and provides a possible fingerprint analysis for the authentication and quality control of baijiu style, producer, and the length of the ageing process. |
| first_indexed | 2024-03-11T06:55:27Z |
| format | Article |
| id | doaj.art-60b0ef8d66284df6b60ae6110e97b87f |
| institution | Directory Open Access Journal |
| issn | 2306-5710 |
| language | English |
| last_indexed | 2024-03-11T06:55:27Z |
| publishDate | 2023-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Beverages |
| spelling | doaj.art-60b0ef8d66284df6b60ae6110e97b87f2023-11-17T09:38:55ZengMDPI AGBeverages2306-57102023-03-01912510.3390/beverages9010025Investigation of Solid Phase Microextraction Gas Chromatography–Mass Spectrometry, Fourier Transform Infrared Spectroscopy and <sup>1</sup>H qNMR Spectroscopy as Potential Methods for the Authentication of Baijiu SpiritsNeil Fitzgerald0John C. Edwards1Department of Chemistry, Biochemistry and Physics, Marist College, 3399 North Road, Poughkeepsie, NY 12601, USAProcess NMR Associates, LLC, 84 Patrick Lane, Ste 115, Poughkeepsie, NY 12603, USAThe baijiu spirit is often the focus of fraudulent activity due to the widely varying prices of the products. In this work, Solid Phase Microextraction Gas Chromatography (SPME GCMS), Fourier Transform Infrared (FTIR) Spectroscopy and <sup>1</sup>H qNMR spectroscopy were evaluated as potential methods to authenticate baijiu samples. Data were collected for 30 baijiu samples produced by seven different distilleries. The data from the SPME GCMS and FTIR methods were treated by a Principal Component Analysis to identify clusters that would suggest chemical differences in the products from different distilleries. The results suggest that SPME GCMS has the potential to be a fully portable method for baijiu authentication. FTIR did not appear suitable for authentication but can be used to find the %ABV range of the sample. <sup>1</sup>H quantitative NMR (<sup>1</sup>H qNMR) was utilized to quantify the ethanol concentrations and calculate the observable congener chemistry comprising ester, ethanol, methanol, fusel alcohol, and organic acids. Discrepancies in ethanol content were observed in three samples, and a lack of major congeners in two samples indicates the possible presence of a counterfeit product. Detailed and quantitative congener chemistry is obtainable by NMR and provides a possible fingerprint analysis for the authentication and quality control of baijiu style, producer, and the length of the ageing process.https://www.mdpi.com/2306-5710/9/1/25baijiuFTIR<sup>1</sup>H NMRqNMRSPME GCMSPCA |
| spellingShingle | Neil Fitzgerald John C. Edwards Investigation of Solid Phase Microextraction Gas Chromatography–Mass Spectrometry, Fourier Transform Infrared Spectroscopy and <sup>1</sup>H qNMR Spectroscopy as Potential Methods for the Authentication of Baijiu Spirits Beverages baijiu FTIR <sup>1</sup>H NMR qNMR SPME GCMS PCA |
| title | Investigation of Solid Phase Microextraction Gas Chromatography–Mass Spectrometry, Fourier Transform Infrared Spectroscopy and <sup>1</sup>H qNMR Spectroscopy as Potential Methods for the Authentication of Baijiu Spirits |
| title_full | Investigation of Solid Phase Microextraction Gas Chromatography–Mass Spectrometry, Fourier Transform Infrared Spectroscopy and <sup>1</sup>H qNMR Spectroscopy as Potential Methods for the Authentication of Baijiu Spirits |
| title_fullStr | Investigation of Solid Phase Microextraction Gas Chromatography–Mass Spectrometry, Fourier Transform Infrared Spectroscopy and <sup>1</sup>H qNMR Spectroscopy as Potential Methods for the Authentication of Baijiu Spirits |
| title_full_unstemmed | Investigation of Solid Phase Microextraction Gas Chromatography–Mass Spectrometry, Fourier Transform Infrared Spectroscopy and <sup>1</sup>H qNMR Spectroscopy as Potential Methods for the Authentication of Baijiu Spirits |
| title_short | Investigation of Solid Phase Microextraction Gas Chromatography–Mass Spectrometry, Fourier Transform Infrared Spectroscopy and <sup>1</sup>H qNMR Spectroscopy as Potential Methods for the Authentication of Baijiu Spirits |
| title_sort | investigation of solid phase microextraction gas chromatography mass spectrometry fourier transform infrared spectroscopy and sup 1 sup h qnmr spectroscopy as potential methods for the authentication of baijiu spirits |
| topic | baijiu FTIR <sup>1</sup>H NMR qNMR SPME GCMS PCA |
| url | https://www.mdpi.com/2306-5710/9/1/25 |
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