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Quantitative composite testing model based on measurement uncertainty and its application for the detection of phthalate esters

To improve the quantitative detection efficiency of chemical analysis and reduce the detection cost, the sample pass rate was estimated and mathematical statistics were used to calculate the optimal group size (K (opt)) of the composite testing to save on the maximum workload. A quantitative composi...

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Autores principales: Huang, Lina, Hu, Yi, Li, Guanwei, Ouyang, Caiding, Yi, Lezhou, Wu, Shanshan, Zhu, Zhenhai, Ma, Tongmei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10544567/
https://www.ncbi.nlm.nih.gov/pubmed/37789964
http://dx.doi.org/10.3389/fchem.2023.1191669
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author Huang, Lina
Hu, Yi
Li, Guanwei
Ouyang, Caiding
Yi, Lezhou
Wu, Shanshan
Zhu, Zhenhai
Ma, Tongmei
author_facet Huang, Lina
Hu, Yi
Li, Guanwei
Ouyang, Caiding
Yi, Lezhou
Wu, Shanshan
Zhu, Zhenhai
Ma, Tongmei
author_sort Huang, Lina
collection PubMed
description To improve the quantitative detection efficiency of chemical analysis and reduce the detection cost, the sample pass rate was estimated and mathematical statistics were used to calculate the optimal group size (K (opt)) of the composite testing to save on the maximum workload. A quantitative composite testing model was developed based on chemical analysis measurement uncertainty. Using this model, the maximum allowable number of composited samples (K (max)) is first calculated using parameters of regulated limits (L), limit of quantification (LOQ), and method measured uncertainty (U ( rel )) to ensure that the sensitivity of the composite testing can meet the limit requirements. Finally, the appropriate composite group size (K (a)) can be obtained by creating a balance between K (opt), K (max), and the practical information used for that particular test. Furthermore, based on a constructed model, a practical quantitative composite testing method of 3–10 samples was established for the routine detection of toy phthalates (PAEs). The experimental results showed that the quantitative limits of 7 PAEs were 9.1–41.8 mg/kg, the relative expansion uncertainties were 16.6%–23.2%, and the recovery rates were 91.0%–112.3%, with a relative deviation of less than 10%. All these meet international PAEs standards. Compared with the traditional individual and qualitative composite testing, this model will not decrease the detection sensitivity, but can save up to 17.9%–80.4% of the workload when it is employed in toy PAEs testing with the pass rate of 80%–99%. This quantitative composite testing method will be implemented in the coming revision of ISO 8124-6 toy PAEs standards.
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spelling pubmed-105445672023-10-03 Quantitative composite testing model based on measurement uncertainty and its application for the detection of phthalate esters Huang, Lina Hu, Yi Li, Guanwei Ouyang, Caiding Yi, Lezhou Wu, Shanshan Zhu, Zhenhai Ma, Tongmei Front Chem Chemistry To improve the quantitative detection efficiency of chemical analysis and reduce the detection cost, the sample pass rate was estimated and mathematical statistics were used to calculate the optimal group size (K (opt)) of the composite testing to save on the maximum workload. A quantitative composite testing model was developed based on chemical analysis measurement uncertainty. Using this model, the maximum allowable number of composited samples (K (max)) is first calculated using parameters of regulated limits (L), limit of quantification (LOQ), and method measured uncertainty (U ( rel )) to ensure that the sensitivity of the composite testing can meet the limit requirements. Finally, the appropriate composite group size (K (a)) can be obtained by creating a balance between K (opt), K (max), and the practical information used for that particular test. Furthermore, based on a constructed model, a practical quantitative composite testing method of 3–10 samples was established for the routine detection of toy phthalates (PAEs). The experimental results showed that the quantitative limits of 7 PAEs were 9.1–41.8 mg/kg, the relative expansion uncertainties were 16.6%–23.2%, and the recovery rates were 91.0%–112.3%, with a relative deviation of less than 10%. All these meet international PAEs standards. Compared with the traditional individual and qualitative composite testing, this model will not decrease the detection sensitivity, but can save up to 17.9%–80.4% of the workload when it is employed in toy PAEs testing with the pass rate of 80%–99%. This quantitative composite testing method will be implemented in the coming revision of ISO 8124-6 toy PAEs standards. Frontiers Media S.A. 2023-09-18 /pmc/articles/PMC10544567/ /pubmed/37789964 http://dx.doi.org/10.3389/fchem.2023.1191669 Text en Copyright © 2023 Huang, Hu, Li, Ouyang, Yi, Wu, Zhu and Ma. https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
spellingShingle Chemistry
Huang, Lina
Hu, Yi
Li, Guanwei
Ouyang, Caiding
Yi, Lezhou
Wu, Shanshan
Zhu, Zhenhai
Ma, Tongmei
Quantitative composite testing model based on measurement uncertainty and its application for the detection of phthalate esters
title Quantitative composite testing model based on measurement uncertainty and its application for the detection of phthalate esters
title_full Quantitative composite testing model based on measurement uncertainty and its application for the detection of phthalate esters
title_fullStr Quantitative composite testing model based on measurement uncertainty and its application for the detection of phthalate esters
title_full_unstemmed Quantitative composite testing model based on measurement uncertainty and its application for the detection of phthalate esters
title_short Quantitative composite testing model based on measurement uncertainty and its application for the detection of phthalate esters
title_sort quantitative composite testing model based on measurement uncertainty and its application for the detection of phthalate esters
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10544567/
https://www.ncbi.nlm.nih.gov/pubmed/37789964
http://dx.doi.org/10.3389/fchem.2023.1191669
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