2026-10-13T07:17:46Z
https://api.figshare.com/v2/oai
oai:figshare.com:article/33791459
2026-09-15T12:10:23Z
category_4
category_7
category_19
category_272
category_873
category_734
portal_63
item_type_3
month_year_09_2026
Comparing Suspect
and Nontargeted Screening Workflows
for Perinatal Chemical Exposome Analysis: A European Interlaboratory
Study from the PARC-EU Project
Tarek Moufawad (6424937)
Kolawole Ayeni (24931991)
Eirini Baira (13134882)
Christian Baudry (24931994)
Lidia Belova (10588277)
Jade Chaker (9910372)
Clement Chalet (24931997)
Adrian Covaci (508263)
Annelaure Damont (1523899)
Arthur David (1497043)
Mariana F. Fernandez (9516363)
Baninia Habchi (17014838)
Carolin Huber (11015471)
Gaëlle Jadé (24932000)
Tina Kosjek (2356276)
Martin Krauss (763813)
Michel Laurentie (486517)
Sophie Ndaw (24932003)
Rosalie Nijssen (11784352)
Herbert Oberacher (148628)
Helena Plesnik (24932006)
Zan Rekar (24932009)
Serena Rizzo (21534923)
Elena Salamanca-Fernandez (14393913)
Aikaterini Termentzi (127084)
Katrin Vorkamp (611059)
Benedikt Warth (2012569)
Linyan Zhu (3114861)
Konstantinos M. Kasiotis (3684907)
Bruno Le Bizec (8615598)
Marja Lamoree (71796)
Jean-Philippe Antignac (694876)
Biochemistry
Medicine
Pharmacology
Environmental Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
varying polarities spiked
resolution mass spectrometry
european interlaboratory study
eu project early
0 – 6
comprehensive exposure characterization
nontargeted screening workflows
hrms covering compounds
nontargeted screening
comprehensive assessments
50 compounds
workflows provides
different workflows
workflow performances
three techniques
three concentrations
shared list
risk assessments
qc provisions
powerful framework
participants used
p </
multivariable analyses
maternal urine
limited subset
house methods
harmonized qa
gas chromatography
findings demonstrate
extending chemical
exposure data
environmental contaminants
emerging chemicals
chemical exposureome
broad range
additionally benchmarked
added value
Early-life chemical exposures may contribute to adverse
health
outcomes later in life. However, conventional chemical analyses typically
cover only a limited subset of the chemical exposureome. Suspect and
nontargeted screening (SS/NTS) using high-resolution mass spectrometry
(HRMS) workflows provides a powerful framework for comprehensive assessments
of exposure, with the potential to detect a broad range of environmental
contaminants and emerging chemicals. An interlaboratory assay involving
12 laboratories was performed to evaluate the comparability and complementarity
of SS/NTS approaches for maternal urine, serum, and milk, based on
reversed-phase (RPLC), hydrophilic interaction liquid chromatography
(HILIC), and gas chromatography (GC) with HRMS. Participants used
in-house methods to possibly detect a predefined and shared list of
50 compounds with varying polarities spiked at three concentrations.
The overall detection rates ranged from 4% to 72% for all three techniques,
with RPLC-HRMS covering compounds with log <i>P</i> 0–6, while HILIC-HRMS and GC-HRMS extended this coverage.
Univariate and multivariable analyses of RPLC-HRMS results for serum
and urine identified sample preparation steps as key factors influencing
detection rates. Workflow performances were additionally benchmarked
by using the S-score. These findings demonstrate the complementarity
of SS/NTS platforms for extending chemical-space coverage for the
most comprehensive exposure characterization. Therefore, efforts should
be made for harmonized QA/QC provisions while conserving the added
value of different workflows for exposure data for risk assessments.
2026-09-15T00:00:00Z
Dataset
Dataset
10.1021/acs.est.6c04347.s002
https://figshare.com/articles/dataset/Comparing_Suspect_and_Nontargeted_Screening_Workflows_for_Perinatal_Chemical_Exposome_Analysis_A_European_Interlaboratory_Study_from_the_PARC-EU_Project/33791459
CC BY-NC 4.0