A Real-Life Reproducibility Assessment for NMR Metabolomics
Nuclear magnetic resonance (NMR) metabolomics is currently popular enough to attract both specialized and non-specialized NMR groups involving both analytical trained personnel and newcomers, including undergraduate students. Recent interlaboratory studies performed by established NMR metabolomics g...
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-02-01
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| Series: | Diagnostics |
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| Online Access: | https://www.mdpi.com/2075-4418/12/3/559 |
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| author | Cristina Stavarache Alina Nicolescu Cătălin Duduianu Gabriela Liliana Ailiesei Mihaela Balan-Porcăraşu Mihaela Cristea Ana-Maria Macsim Oana Popa Carmen Stavarache Anca Hîrtopeanu Lucica Barbeş Raluca Stan Horia Iovu Calin Deleanu |
| author_facet | Cristina Stavarache Alina Nicolescu Cătălin Duduianu Gabriela Liliana Ailiesei Mihaela Balan-Porcăraşu Mihaela Cristea Ana-Maria Macsim Oana Popa Carmen Stavarache Anca Hîrtopeanu Lucica Barbeş Raluca Stan Horia Iovu Calin Deleanu |
| author_sort | Cristina Stavarache |
| collection | DOAJ |
| description | Nuclear magnetic resonance (NMR) metabolomics is currently popular enough to attract both specialized and non-specialized NMR groups involving both analytical trained personnel and newcomers, including undergraduate students. Recent interlaboratory studies performed by established NMR metabolomics groups demonstrated high reproducibility of the state-of-the-art NMR equipment and SOPs. There is, however, no assessment of NMR reproducibility when mixing both analytical experts and newcomers. An interlaboratory assessment of NMR quantitation reproducibility was performed using two NMR instruments belonging to different laboratories and involving several operators with different backgrounds and metabolomics expertise for the purpose of assessing the limiting factors for data reproducibility in a multipurpose NMR environment. The variability induced by the operator, automatic pipettes, NMR tubes and NMR instruments was evaluated in order to assess the limiting factors for quantitation reproducibility. The results estimated the expected reproducibility data in a real-life multipurpose NMR laboratory to a maximum 4% variability, demonstrating that the current NMR equipment and SOPs may compensate some of the operator-induced variability. |
| first_indexed | 2024-03-09T13:46:08Z |
| format | Article |
| id | doaj.art-6917ac42550947ee8396fb93dce07bcf |
| institution | Directory Open Access Journal |
| issn | 2075-4418 |
| language | English |
| last_indexed | 2024-03-09T13:46:08Z |
| publishDate | 2022-02-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Diagnostics |
| spelling | doaj.art-6917ac42550947ee8396fb93dce07bcf2023-11-30T20:58:35ZengMDPI AGDiagnostics2075-44182022-02-0112355910.3390/diagnostics12030559A Real-Life Reproducibility Assessment for NMR MetabolomicsCristina Stavarache0Alina Nicolescu1Cătălin Duduianu2Gabriela Liliana Ailiesei3Mihaela Balan-Porcăraşu4Mihaela Cristea5Ana-Maria Macsim6Oana Popa7Carmen Stavarache8Anca Hîrtopeanu9Lucica Barbeş10Raluca Stan11Horia Iovu12Calin Deleanu13“C.D. Nenitescu” Centre of Organic Chemistry, Romanian Academy, 060023 Bucharest, Romania“C.D. Nenitescu” Centre of Organic Chemistry, Romanian Academy, 060023 Bucharest, Romania“C.D. Nenitescu” Centre of Organic Chemistry, Romanian Academy, 060023 Bucharest, Romania“Petru Poni” Institute of Macromolecular Chemistry, Romanian Academy, 700487 Iasi, Romania“Petru Poni” Institute of Macromolecular Chemistry, Romanian Academy, 700487 Iasi, Romania“Petru Poni” Institute of Macromolecular Chemistry, Romanian Academy, 700487 Iasi, Romania“Petru Poni” Institute of Macromolecular Chemistry, Romanian Academy, 700487 Iasi, Romania“C.D. Nenitescu” Centre of Organic Chemistry, Romanian Academy, 060023 Bucharest, Romania“C.D. Nenitescu” Centre of Organic Chemistry, Romanian Academy, 060023 Bucharest, Romania“C.D. Nenitescu” Centre of Organic Chemistry, Romanian Academy, 060023 Bucharest, RomaniaDepartment of Chemistry and Chemical Engineering, “Ovidius” University of Constanta, 900527 Constanta, RomaniaFaculty of Applied Chemistry and Material Science, University Politehnica of Bucharest, 011061 Bucharest, RomaniaAdvanced Polymer Materials Group, University Politehnica of Bucharest, 011061 Bucharest, Romania“C.D. Nenitescu” Centre of Organic Chemistry, Romanian Academy, 060023 Bucharest, RomaniaNuclear magnetic resonance (NMR) metabolomics is currently popular enough to attract both specialized and non-specialized NMR groups involving both analytical trained personnel and newcomers, including undergraduate students. Recent interlaboratory studies performed by established NMR metabolomics groups demonstrated high reproducibility of the state-of-the-art NMR equipment and SOPs. There is, however, no assessment of NMR reproducibility when mixing both analytical experts and newcomers. An interlaboratory assessment of NMR quantitation reproducibility was performed using two NMR instruments belonging to different laboratories and involving several operators with different backgrounds and metabolomics expertise for the purpose of assessing the limiting factors for data reproducibility in a multipurpose NMR environment. The variability induced by the operator, automatic pipettes, NMR tubes and NMR instruments was evaluated in order to assess the limiting factors for quantitation reproducibility. The results estimated the expected reproducibility data in a real-life multipurpose NMR laboratory to a maximum 4% variability, demonstrating that the current NMR equipment and SOPs may compensate some of the operator-induced variability.https://www.mdpi.com/2075-4418/12/3/559metabolomicsNMRreproducibilityinterlaboratory trialquality control |
| spellingShingle | Cristina Stavarache Alina Nicolescu Cătălin Duduianu Gabriela Liliana Ailiesei Mihaela Balan-Porcăraşu Mihaela Cristea Ana-Maria Macsim Oana Popa Carmen Stavarache Anca Hîrtopeanu Lucica Barbeş Raluca Stan Horia Iovu Calin Deleanu A Real-Life Reproducibility Assessment for NMR Metabolomics Diagnostics metabolomics NMR reproducibility interlaboratory trial quality control |
| title | A Real-Life Reproducibility Assessment for NMR Metabolomics |
| title_full | A Real-Life Reproducibility Assessment for NMR Metabolomics |
| title_fullStr | A Real-Life Reproducibility Assessment for NMR Metabolomics |
| title_full_unstemmed | A Real-Life Reproducibility Assessment for NMR Metabolomics |
| title_short | A Real-Life Reproducibility Assessment for NMR Metabolomics |
| title_sort | real life reproducibility assessment for nmr metabolomics |
| topic | metabolomics NMR reproducibility interlaboratory trial quality control |
| url | https://www.mdpi.com/2075-4418/12/3/559 |
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