Comparison of Different Approaches for Estimation of the Detection Limit of Quantitative NMR
Limit of detection (LOD), which indicates the detection ability of an analytical method, is an important parameter used in validating quantitative 1H nuclear magnetic resonance (NMR) method. Different approaches to evaluate LOD have been reported in literature, including the calibration curve approa...
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| Format: | Article |
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Science Press
2022-06-01
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| Series: | Chinese Journal of Magnetic Resonance |
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| Online Access: | http://121.43.60.238/bpxzz/article/2022/1000-4556/20220211.shtml |
| _version_ | 1811206498448048128 |
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| author | Lei CHEN Hong-bing LIU Hui-li LIU |
| author_facet | Lei CHEN Hong-bing LIU Hui-li LIU |
| author_sort | Lei CHEN |
| collection | DOAJ |
| description | Limit of detection (LOD), which indicates the detection ability of an analytical method, is an important parameter used in validating quantitative 1H nuclear magnetic resonance (NMR) method. Different approaches to evaluate LOD have been reported in literature, including the calibration curve approach, regression parameters-based approach, ASTM approach (proposed by American Society of Testing Materials), EPA approach (established by the United States Environmental Protection Agency) and the signal-to-noise ratio approach. In this study, systemic analyses and summaries of all mentioned approaches were given together with their principles, equations and characteristics. A novel approach based on signal-to-ratio regression curve for determining the detection limit was proposed, which can overcome weaknesses of the signal-to-noise ratio approach. The LOD of liquid-state 1H NMR method in the determination of sodium formate in aqueous solution was calculated using 5 different approaches. The influence of the number of scans on LOD was discussed. The results showed that the LOD was in the range of 10.4~14.4 μmol/L when the number of scans was 64 with 700 MHz NMR spectrometer. In conclusion, the study can provide a reference for determining the LOD of 1H quantitative NMR. |
| first_indexed | 2024-04-12T03:48:28Z |
| format | Article |
| id | doaj.art-4ef15409aa1e4f618e0ef9429ab05ace |
| institution | Directory Open Access Journal |
| issn | 1000-4556 |
| language | zho |
| last_indexed | 2024-04-12T03:48:28Z |
| publishDate | 2022-06-01 |
| publisher | Science Press |
| record_format | Article |
| series | Chinese Journal of Magnetic Resonance |
| spelling | doaj.art-4ef15409aa1e4f618e0ef9429ab05ace2022-12-22T03:49:03ZzhoScience PressChinese Journal of Magnetic Resonance1000-45562022-06-01390223024210.11938/cjmr20212944Comparison of Different Approaches for Estimation of the Detection Limit of Quantitative NMRLei CHEN0Hong-bing LIU1Hui-li LIU2State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, ChinaState Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, ChinaState Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, ChinaLimit of detection (LOD), which indicates the detection ability of an analytical method, is an important parameter used in validating quantitative 1H nuclear magnetic resonance (NMR) method. Different approaches to evaluate LOD have been reported in literature, including the calibration curve approach, regression parameters-based approach, ASTM approach (proposed by American Society of Testing Materials), EPA approach (established by the United States Environmental Protection Agency) and the signal-to-noise ratio approach. In this study, systemic analyses and summaries of all mentioned approaches were given together with their principles, equations and characteristics. A novel approach based on signal-to-ratio regression curve for determining the detection limit was proposed, which can overcome weaknesses of the signal-to-noise ratio approach. The LOD of liquid-state 1H NMR method in the determination of sodium formate in aqueous solution was calculated using 5 different approaches. The influence of the number of scans on LOD was discussed. The results showed that the LOD was in the range of 10.4~14.4 μmol/L when the number of scans was 64 with 700 MHz NMR spectrometer. In conclusion, the study can provide a reference for determining the LOD of 1H quantitative NMR.http://121.43.60.238/bpxzz/article/2022/1000-4556/20220211.shtmlliquid-state nuclear magnetic resonancequantitative detectionlimit of detection (lod)signal-to-noise regression approach |
| spellingShingle | Lei CHEN Hong-bing LIU Hui-li LIU Comparison of Different Approaches for Estimation of the Detection Limit of Quantitative NMR Chinese Journal of Magnetic Resonance liquid-state nuclear magnetic resonance quantitative detection limit of detection (lod) signal-to-noise regression approach |
| title | Comparison of Different Approaches for Estimation of the Detection Limit of Quantitative NMR |
| title_full | Comparison of Different Approaches for Estimation of the Detection Limit of Quantitative NMR |
| title_fullStr | Comparison of Different Approaches for Estimation of the Detection Limit of Quantitative NMR |
| title_full_unstemmed | Comparison of Different Approaches for Estimation of the Detection Limit of Quantitative NMR |
| title_short | Comparison of Different Approaches for Estimation of the Detection Limit of Quantitative NMR |
| title_sort | comparison of different approaches for estimation of the detection limit of quantitative nmr |
| topic | liquid-state nuclear magnetic resonance quantitative detection limit of detection (lod) signal-to-noise regression approach |
| url | http://121.43.60.238/bpxzz/article/2022/1000-4556/20220211.shtml |
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