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A novel calibration strategy based on isotopic distribution for high-throughput quantitative analysis of pesticides and veterinary drugs using LC-HRMS

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Abstract
Preparation of calibration curves is a critical step for large-scale quantification. However, this procedure is time-consuming, labor intensive. Herein, a novel isotopologue multipoint calibration (IMC) strategy, was proposed and demonstrated for the simultaneous quantitation of 120 pesticides and 83 veterinary drugs in surface water samples using Liquid Chromatography-High Resolution Mass Spectrometry (LC-HRMS). In this strategy, the natural isotopic distribution was used to generate external calibration curves, eliminating the need of analyst’s adjustment and many sets of chemical standard solutions required in external calibration curves. Additionally, this strategy was comprehensively validated, and the results indicated this strategy had better performance in both accuracy and precision, fully meeting the requirements for the quantitative analysis. Interestingly, for the samples with high concentration beyond the upper limit of quantitation, the IMC strategy could avoid samples dilution by monitoring the less abundant isotopic channels. Furthermore, the IMC method was successfully applied in the surface water samples collected from Anhui province, China. Among which, sulfamethoxazole and imidacoprid were the main contributors. In conclusion, we present a promising LC-HRMS strategy for the accurate quantitation of small molecules, which has a potential application in food and environmental analysis
Keywords
isotope distribution, quantitative analysis, water environment pollution, high resolution mass spectrometry, INTERNAL STANDARD, MASS, VALIDATION, WATER, RESIDUES, ONLINE

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MLA
Sun, Feifei, et al. “A Novel Calibration Strategy Based on Isotopic Distribution for High-Throughput Quantitative Analysis of Pesticides and Veterinary Drugs Using LC-HRMS.” JOURNAL OF HAZARDOUS MATERIALS, vol. 430, 2022, doi:10.1016/j.jhazmat.2022.128413.
APA
Sun, F., Tan, H., Abdallah, M. F., Li, Y., Zhou, J., Li, Y., & Yang, S. (2022). A novel calibration strategy based on isotopic distribution for high-throughput quantitative analysis of pesticides and veterinary drugs using LC-HRMS. JOURNAL OF HAZARDOUS MATERIALS, 430. https://doi.org/10.1016/j.jhazmat.2022.128413
Chicago author-date
Sun, Feifei, Haiguang Tan, Mohamed Fathi Abdallah, Yanshen Li, Jinhui Zhou, Yi Li, and Shupeng Yang. 2022. “A Novel Calibration Strategy Based on Isotopic Distribution for High-Throughput Quantitative Analysis of Pesticides and Veterinary Drugs Using LC-HRMS.” JOURNAL OF HAZARDOUS MATERIALS 430. https://doi.org/10.1016/j.jhazmat.2022.128413.
Chicago author-date (all authors)
Sun, Feifei, Haiguang Tan, Mohamed Fathi Abdallah, Yanshen Li, Jinhui Zhou, Yi Li, and Shupeng Yang. 2022. “A Novel Calibration Strategy Based on Isotopic Distribution for High-Throughput Quantitative Analysis of Pesticides and Veterinary Drugs Using LC-HRMS.” JOURNAL OF HAZARDOUS MATERIALS 430. doi:10.1016/j.jhazmat.2022.128413.
Vancouver
1.
Sun F, Tan H, Abdallah MF, Li Y, Zhou J, Li Y, et al. A novel calibration strategy based on isotopic distribution for high-throughput quantitative analysis of pesticides and veterinary drugs using LC-HRMS. JOURNAL OF HAZARDOUS MATERIALS. 2022;430.
IEEE
[1]
F. Sun et al., “A novel calibration strategy based on isotopic distribution for high-throughput quantitative analysis of pesticides and veterinary drugs using LC-HRMS,” JOURNAL OF HAZARDOUS MATERIALS, vol. 430, 2022.
@article{8739350,
  abstract     = {{Preparation of calibration curves is a critical step for large-scale quantification. However, this procedure is time-consuming, labor intensive. Herein, a novel isotopologue multipoint calibration (IMC) strategy, was proposed and demonstrated for the simultaneous quantitation of 120 pesticides and 83 veterinary drugs in surface water samples using Liquid Chromatography-High Resolution Mass Spectrometry (LC-HRMS). In this strategy, the natural isotopic distribution was used to generate external calibration curves, eliminating the need of analyst’s adjustment and many sets of chemical standard solutions required in external calibration curves. Additionally, this strategy was comprehensively validated, and the results indicated this strategy had better performance in both accuracy and precision, fully meeting the requirements for the quantitative analysis. Interestingly, for the samples with high concentration beyond the upper limit of quantitation, the IMC strategy could avoid samples dilution by monitoring the less abundant isotopic channels. Furthermore, the IMC method was successfully applied in the surface water samples collected from Anhui province, China. Among which, sulfamethoxazole and imidacoprid were the main contributors. In conclusion, we present a promising LC-HRMS strategy for the accurate quantitation of small molecules, which has a potential application in food and environmental analysis}},
  articleno    = {{128413}},
  author       = {{Sun, Feifei and Tan, Haiguang and Abdallah, Mohamed Fathi and Li, Yanshen and Zhou, Jinhui and Li, Yi and Yang, Shupeng}},
  issn         = {{0304-3894}},
  journal      = {{JOURNAL OF HAZARDOUS MATERIALS}},
  keywords     = {{isotope distribution,quantitative analysis,water environment pollution,high resolution mass spectrometry,INTERNAL STANDARD,MASS,VALIDATION,WATER,RESIDUES,ONLINE}},
  language     = {{eng}},
  pages        = {{15}},
  title        = {{A novel calibration strategy based on isotopic distribution for high-throughput quantitative analysis of pesticides and veterinary drugs using LC-HRMS}},
  url          = {{http://doi.org/10.1016/j.jhazmat.2022.128413}},
  volume       = {{430}},
  year         = {{2022}},
}

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