Rapid Enantiomeric Ratio Determination of Multiple Amino Acids Using Ion Mobility-Mass Spectrometry
Chiral analysis is becoming increasingly important across various scientific fields, including chemistry, pharmaceuticals, biosciences, and more recently, metabolomics. In this context, a high-resolution and high-throughput method was developed for the simultaneous determination of the enantiomeric...
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MDPI AG
2025-06-01
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| author | Wenqing Xu Estelle Rathahao-Paris Sandra Alves |
| author_facet | Wenqing Xu Estelle Rathahao-Paris Sandra Alves |
| author_sort | Wenqing Xu |
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| description | Chiral analysis is becoming increasingly important across various scientific fields, including chemistry, pharmaceuticals, biosciences, and more recently, metabolomics. In this context, a high-resolution and high-throughput method was developed for the simultaneous determination of the enantiomeric ratio (<i>er</i>) of seven pairs of amino acid (AA) enantiomers (Arg, Gln, His, Met, Pro, Tyr, and Trp) using flow injection analysis coupled with ion mobility-mass spectrometry (FIA-IM-MS) technology. Specifically, the Single Ion Mobility Monitoring (SIM<sup>2</sup>) mode on a TIMS-Tof<sup>TM</sup> instrument enabled the rapid relative quantification of chiral compound mixtures. A linear model accurately described the relationship between enantiomeric ratio and IM-MS response for Arg, Gln, and Pro enantiomers, as evidenced by high R<sup>2</sup> values and unbiased residuals. In contrast, non-linear trends were observed for His, Tyr, and Trp, where a quadratic model significantly improved the fit. However, the linear model was retained for Met, despite an R<sup>2</sup> of about 0.98, due to its comparable performance and simplicity. Measurement accuracy was confirmed with very good recovery rates for <i>er</i> values of 0.95 and 0.99 across all AAs. Finally, the potential of the FIA-SIM<sup>2</sup>-MS approach in chiral analysis was demonstrated, particularly its ability to provide a reliable and efficient high-throughput tool for accurate <i>er</i> determination. |
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| institution | Kabale University |
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| spelling | doaj-art-de7308ebc9064d13ae72a60c1e5b01252025-08-20T03:27:36ZengMDPI AGMolecules1420-30492025-06-013012249710.3390/molecules30122497Rapid Enantiomeric Ratio Determination of Multiple Amino Acids Using Ion Mobility-Mass SpectrometryWenqing Xu0Estelle Rathahao-Paris1Sandra Alves2Sorbonne Université, Faculté des Sciences et de l’Ingénierie, Institut Parisien de Chimie Moléculaire (IPCM), 75005 Paris, FranceSorbonne Université, Faculté des Sciences et de l’Ingénierie, Institut Parisien de Chimie Moléculaire (IPCM), 75005 Paris, FranceSorbonne Université, Faculté des Sciences et de l’Ingénierie, Institut Parisien de Chimie Moléculaire (IPCM), 75005 Paris, FranceChiral analysis is becoming increasingly important across various scientific fields, including chemistry, pharmaceuticals, biosciences, and more recently, metabolomics. In this context, a high-resolution and high-throughput method was developed for the simultaneous determination of the enantiomeric ratio (<i>er</i>) of seven pairs of amino acid (AA) enantiomers (Arg, Gln, His, Met, Pro, Tyr, and Trp) using flow injection analysis coupled with ion mobility-mass spectrometry (FIA-IM-MS) technology. Specifically, the Single Ion Mobility Monitoring (SIM<sup>2</sup>) mode on a TIMS-Tof<sup>TM</sup> instrument enabled the rapid relative quantification of chiral compound mixtures. A linear model accurately described the relationship between enantiomeric ratio and IM-MS response for Arg, Gln, and Pro enantiomers, as evidenced by high R<sup>2</sup> values and unbiased residuals. In contrast, non-linear trends were observed for His, Tyr, and Trp, where a quadratic model significantly improved the fit. However, the linear model was retained for Met, despite an R<sup>2</sup> of about 0.98, due to its comparable performance and simplicity. Measurement accuracy was confirmed with very good recovery rates for <i>er</i> values of 0.95 and 0.99 across all AAs. Finally, the potential of the FIA-SIM<sup>2</sup>-MS approach in chiral analysis was demonstrated, particularly its ability to provide a reliable and efficient high-throughput tool for accurate <i>er</i> determination.https://www.mdpi.com/1420-3049/30/12/2497chiral analysisenantiomeric ratioion mobility-mass spectrometryflow injection analysis |
| spellingShingle | Wenqing Xu Estelle Rathahao-Paris Sandra Alves Rapid Enantiomeric Ratio Determination of Multiple Amino Acids Using Ion Mobility-Mass Spectrometry Molecules chiral analysis enantiomeric ratio ion mobility-mass spectrometry flow injection analysis |
| title | Rapid Enantiomeric Ratio Determination of Multiple Amino Acids Using Ion Mobility-Mass Spectrometry |
| title_full | Rapid Enantiomeric Ratio Determination of Multiple Amino Acids Using Ion Mobility-Mass Spectrometry |
| title_fullStr | Rapid Enantiomeric Ratio Determination of Multiple Amino Acids Using Ion Mobility-Mass Spectrometry |
| title_full_unstemmed | Rapid Enantiomeric Ratio Determination of Multiple Amino Acids Using Ion Mobility-Mass Spectrometry |
| title_short | Rapid Enantiomeric Ratio Determination of Multiple Amino Acids Using Ion Mobility-Mass Spectrometry |
| title_sort | rapid enantiomeric ratio determination of multiple amino acids using ion mobility mass spectrometry |
| topic | chiral analysis enantiomeric ratio ion mobility-mass spectrometry flow injection analysis |
| url | https://www.mdpi.com/1420-3049/30/12/2497 |
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