This study investigated the concentration profiles and geographical variability of contaminants in house dust across Europe. A collaborative trial (CT) was organized by the NORMAN network using pooled dust and advanced chromatographic and mass spectrometric techniques combined with suspect screening and non-target screening (NTS). Over 1200 anthropogenic compounds were tentatively identified. Additionally, seventy-five individual samples were subjected to target analysis and NTS. The median concentrations of most contaminants varied <3-fold across Europe, and the contaminant profile of European dust was similar to that of North American dust, which was investigated in a previous CT. This similarity may be attributed to the use of similar consumer articles and building materials throughout the developed world. Multivariate data analysis revealed geographical trends in contaminant distribution, with north-south gradients across Europe. Geographical trends were more frequently found for compounds with rapid release (pharmaceuticals, personal care products, fragrances, pesticides, biocides) and smoke-related compounds. The concentrations of chlorinated paraffins, polycyclic aromatic hydrocarbons (PAHs), perfluorinated alkyl substances and stimulants generally increased from north to south, whereas the biocides levels decreased from north to south. Despite widespread presence of in-use contaminants in dusts, some of the highest risks come from compounds that have been restricted for decades or more. These include di(2-ethylhexyl) phthalate (DEHP), polychlorinated biphenyl (PCB) 118 and polybrominated diphenyl ethers 47, 99, and 153. DEHP remains the most abundant contaminant in European house dust, while the other compounds are classified as persistent organic pollutants (POPs). Moreover, there is a striking lack of reliable toxicity data, particularly for emerging compounds. For instance, although acceptable daily intakes (ADIs) were examined for 202 compounds, only 46 had consensus-based ADI values. The results highlight the need for proactive measures to prevent hazardous chemicals from entering the market and for careful selection of substitute chemicals, when such are needed, to avoid regrettable substitutions.

• Klíčová slova
• Geographical trends, House dust, Human exposome, Mass spectrometry, Organic contaminant profiling, Risk assessment,
• MeSH
• hodnocení rizik MeSH
• látky znečišťující vzduch analýza   MeSH
• lidé MeSH
• monitorování životního prostředí * MeSH
• polycyklické aromatické uhlovodíky analýza   MeSH
• prach * analýza   MeSH
• znečištění vzduchu ve vnitřním prostředí analýza   statistika a číselné údaje   MeSH
• Check Tag
• lidé MeSH
• Publikační typ
• časopisecké články MeSH
• Geografické názvy
• Evropa MeSH
• Názvy látek
• látky znečišťující vzduch MeSH
• polycyklické aromatické uhlovodíky MeSH
• prach * MeSH

BACKGROUND: The NORMAN Association (https://www.norman-network.com/) initiated the NORMAN Suspect List Exchange (NORMAN-SLE; https://www.norman-network.com/nds/SLE/) in 2015, following the NORMAN collaborative trial on non-target screening of environmental water samples by mass spectrometry. Since then, this exchange of information on chemicals that are expected to occur in the environment, along with the accompanying expert knowledge and references, has become a valuable knowledge base for "suspect screening" lists. The NORMAN-SLE now serves as a FAIR (Findable, Accessible, Interoperable, Reusable) chemical information resource worldwide. RESULTS: The NORMAN-SLE contains 99 separate suspect list collections (as of May 2022) from over 70 contributors around the world, totalling over 100,000 unique substances. The substance classes include per- and polyfluoroalkyl substances (PFAS), pharmaceuticals, pesticides, natural toxins, high production volume substances covered under the European REACH regulation (EC: 1272/2008), priority contaminants of emerging concern (CECs) and regulatory lists from NORMAN partners. Several lists focus on transformation products (TPs) and complex features detected in the environment with various levels of provenance and structural information. Each list is available for separate download. The merged, curated collection is also available as the NORMAN Substance Database (NORMAN SusDat). Both the NORMAN-SLE and NORMAN SusDat are integrated within the NORMAN Database System (NDS). The individual NORMAN-SLE lists receive digital object identifiers (DOIs) and traceable versioning via a Zenodo community (https://zenodo.org/communities/norman-sle), with a total of > 40,000 unique views, > 50,000 unique downloads and 40 citations (May 2022). NORMAN-SLE content is progressively integrated into large open chemical databases such as PubChem (https://pubchem.ncbi.nlm.nih.gov/) and the US EPA's CompTox Chemicals Dashboard (https://comptox.epa.gov/dashboard/), enabling further access to these lists, along with the additional functionality and calculated properties these resources offer. PubChem has also integrated significant annotation content from the NORMAN-SLE, including a classification browser (https://pubchem.ncbi.nlm.nih.gov/classification/#hid=101). CONCLUSIONS: The NORMAN-SLE offers a specialized service for hosting suspect screening lists of relevance for the environmental community in an open, FAIR manner that allows integration with other major chemical resources. These efforts foster the exchange of information between scientists and regulators, supporting the paradigm shift to the "one substance, one assessment" approach. New submissions are welcome via the contacts provided on the NORMAN-SLE website (https://www.norman-network.com/nds/SLE/). SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s12302-022-00680-6.

• Klíčová slova
• Chemicals of emerging concern, Cheminformatics, Data exchange, Environmental contaminants, Exposomics, FAIR (Findable Accessible Interoperable Reusable) data, High resolution mass spectrometry, Non-target screening, Open science, Suspect screening,
• Publikační typ
• časopisecké články MeSH

Omics-based technologies have enabled comprehensive characterization of our exposure to environmental chemicals (chemical exposome) as well as assessment of the corresponding biological responses at the molecular level (eg, metabolome, lipidome, proteome, and genome). By systematically measuring personal exposures and linking these stimuli to biological perturbations, researchers can determine specific chemical exposures of concern, identify mechanisms and biomarkers of toxicity, and design interventions to reduce exposures. However, further advancement of metabolomics and exposomics approaches is limited by a lack of standardization and approaches for assigning confidence to chemical annotations. While a wealth of chemical data is generated by gas chromatography high-resolution mass spectrometry (GC-HRMS), incorporating GC-HRMS data into an annotation framework and communicating confidence in these assignments is challenging. It is essential to be able to compare chemical data for exposomics studies across platforms to build upon prior knowledge and advance the technology. Here, we discuss the major pieces of evidence provided by common GC-HRMS workflows, including retention time and retention index, electron ionization, positive chemical ionization, electron capture negative ionization, and atmospheric pressure chemical ionization spectral matching, molecular ion, accurate mass, isotopic patterns, database occurrence, and occurrence in blanks. We then provide a qualitative framework for incorporating these various lines of evidence for communicating confidence in GC-HRMS data by adapting the Schymanski scoring schema developed for reporting confidence levels by liquid chromatography HRMS (LC-HRMS). Validation of our framework is presented using standards spiked in plasma, and confident annotations in outdoor and indoor air samples, showing a false-positive rate of 12% for suspect screening for chemical identifications assigned as Level 2 (when structurally similar isomers are not considered false positives). This framework is easily adaptable to various workflows and provides a concise means to communicate confidence in annotations. Further validation, refinements, and adoption of this framework will ideally lead to harmonization across the field, helping to improve the quality and interpretability of compound annotations obtained in GC-HRMS.

• Klíčová slova
• annotation, chemicals, confidence scale, exposomics, gas chromatography (GC), high-resolution mass spectrometry (HRMS),
• Publikační typ
• časopisecké články MeSH

Non-target analysis (NTA) employing high-resolution mass spectrometry is a commonly applied approach for the detection of novel chemicals of emerging concern in complex environmental samples. NTA typically results in large and information-rich datasets that require computer aided (ideally automated) strategies for their processing and interpretation. Such strategies do however raise the challenge of reproducibility between and within different processing workflows. An effective strategy to mitigate such problems is the implementation of inter-laboratory studies (ILS) with the aim to evaluate different workflows and agree on harmonized/standardized quality control procedures. Here we present the data generated during such an ILS. This study was organized through the Norman Network and included 21 participants from 11 countries. A set of samples based on the passive sampling of drinking water pre and post treatment was shipped to all the participating laboratories for analysis, using one pre-defined method and one locally (i.e. in-house) developed method. The data generated represents a valuable resource (i.e. benchmark) for future developments of algorithms and workflows for NTA experiments.

• MeSH
• algoritmy MeSH
• hmotnostní spektrometrie * MeSH
• laboratoře MeSH
• pitná voda analýza   MeSH
• průběh práce MeSH
• Publikační typ
• časopisecké články MeSH
• dataset MeSH
• práce podpořená grantem MeSH
• Názvy látek
• pitná voda MeSH