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@article{2220717,
author = {Vitale, Chiara Maria and Lommen, Arjen and Huber, Carolin and Wagner, Kevin and Borja, Garlito Molina and Nijssen, Rosalie and Price, Elliott James and Blokland, Marco and Frederike, van Tricht and Mol, Hans G J and Krauss, Martin and Debrauwer, Laurent and Pardo, Olga and Leon, Nuria and Klánová, Jana and Antignac, JeanandPhilippe},
article_number = {22},
doi = {http://dx.doi.org/10.1021/acs.analchem.2c00061},
keywords = {Anatomy; Extraction; Mass spectrometry; Quality management; Solvents},
language = {eng},
issn = {0003-2700},
journal = {Analytical chemistry},
title = {Harmonized Quality Assurance/Quality Control Provisions for Nontargeted Measurement of Urinary Pesticide Biomarkers in the HBM4EU Multisite SPECIMEn Study},
url = {https://pubs.acs.org/doi/10.1021/acs.analchem.2c00061},
volume = {94},
year = {2022}
}
TY - JOUR
ID - 2220717
AU - Vitale, Chiara Maria - Lommen, Arjen - Huber, Carolin - Wagner, Kevin - Borja, Garlito Molina - Nijssen, Rosalie - Price, Elliott James - Blokland, Marco - Frederike, van Tricht - Mol, Hans G J - Krauss, Martin - Debrauwer, Laurent - Pardo, Olga - Leon, Nuria - Klánová, Jana - Antignac, Jean-Philippe
PY - 2022
TI - Harmonized Quality Assurance/Quality Control Provisions for Nontargeted Measurement of Urinary Pesticide Biomarkers in the HBM4EU Multisite SPECIMEn Study
JF - Analytical chemistry
VL - 94
IS - 22
SP - 7833-7843
EP - 7833-7843
PB - American Chemical Society
SN - 00032700
KW - Anatomy
KW - Extraction
KW - Mass spectrometry
KW - Quality management
KW - Solvents
UR - https://pubs.acs.org/doi/10.1021/acs.analchem.2c00061
N2 - A set of quality assurance/quality control (QA/QC) criteria for nontargeted measurement of pesticide exposure markers in a large-scale study of human urine has been proposed and applied across five laboratories within the HBM4EU project. Quality control material, including reference standards and fortified pooled urine samples (QC urine) were prepared in a centralized way and distributed across participants to monitor analytical performance and consistency of the liquid chromatography coupled to high-resolution mass spectrometry data generated with a harmonized workflow. Signal intensities, mass accuracy, and retention times of selected QA/QC markers covering a broad range of physicochemical properties were monitored across QC solvent standards, QC urine samples, study urine samples, and procedural blanks, setting acceptance thresholds for repeatability and accuracy. Overall, results showed high repeatability of the collected data. The RSDs of the signal intensities were typically below 20-30% in QC and study samples, with good stability of the chromatographic separation (retention time drift within 2-4 s intrabatch and 5 s interbatch) and excellent mass accuracy (average error < 2 ppm). The use of the proposed criteria allowed for the identification of handling errors, instrumental issues, and potential batch effects. This is the first elaboration of harmonized QA/QC criteria applied across multiple laboratories to assess the quality of data generated by nontargeted analysis of human samples.
ER -
VITALE, Chiara Maria, Arjen LOMMEN, Carolin HUBER, Kevin WAGNER, Garlito Molina BORJA, Rosalie NIJSSEN, Elliott James PRICE, Marco BLOKLAND, van Tricht FREDERIKE, Hans G J MOL, Martin KRAUSS, Laurent DEBRAUWER, Olga PARDO, Nuria LEON, Jana KLÁNOVÁ a Jean-Philippe ANTIGNAC. Harmonized Quality Assurance/Quality Control Provisions for Nontargeted Measurement of Urinary Pesticide Biomarkers in the HBM4EU Multisite SPECIMEn Study. \textit{Analytical chemistry}. American Chemical Society, 2022, roč.~94, č.~22, s.~7833-7843. ISSN~0003-2700. Dostupné z: https://dx.doi.org/10.1021/acs.analchem.2c00061.
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