Mapping the Limits of Passive Samplers in Water: Chemical Space Coverage Using Nontargeted Liquid Chromatography-High-Resolution Mass Spectrometry (LC-HRMS) Analysis
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F25%3A00142666" target="_blank" >RIV/00216224:14310/25:00142666 - isvavai.cz</a>
Result on the web
<a href="https://pubs.acs.org/doi/10.1021/acsestwater.5c00565" target="_blank" >https://pubs.acs.org/doi/10.1021/acsestwater.5c00565</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acsestwater.5c00565" target="_blank" >10.1021/acsestwater.5c00565</a>
Alternative languages
Result language
angličtina
Original language name
Mapping the Limits of Passive Samplers in Water: Chemical Space Coverage Using Nontargeted Liquid Chromatography-High-Resolution Mass Spectrometry (LC-HRMS) Analysis
Original language description
Passive sampling (PS) combined with nontargeted analysis provides a time-representative picture of contaminants in water that are not covered by conventional monitoring. This innovative approach was further enhanced by chemical space modeling to predict the chemical space captured by passive samplers. In this study, three passive samplers for polar compounds, i.e., POCIS, hydrogel-based passive sampler (HPS), and Speedisk, were deployed in municipal wastewater treatment plant effluent and analyzed by liquid chromatography-high-resolution mass spectrometry (LC-HRMS) with data-independent acquisition (DIA). Compounds identified by suspect screening were used together with target compounds to map the sampled chemical space using a multivariate analysis of 1686 compounds and 31 physicochemical descriptors. In total, 216 unique compounds were identified, including 127 compounds from suspect screening, of which 61 were not covered by targeted analysis. A similar number of compounds were detected in all three passive samplers, indicating a surprisingly similar sampled chemical space. Using chemical space mapping, a chemical domain of 1150 compounds within the molar mass range of 150-600 was identified to be sampled by PS with 95% confidence. This novel approach emphasizes combining analytical and modeling tools to provide deeper insight into the limitations of passive sampler coverage.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10503 - Water resources
Result continuities
Project
<a href="/en/project/GX20-04676X" target="_blank" >GX20-04676X: Holistic exposure and effect potential assessment of complex chemical mixtures in the aquatic environment</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
ACS ES&T WATER
ISSN
2690-0637
e-ISSN
2690-0637
Volume of the periodical
5
Issue of the periodical within the volume
10
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
5928-5937
UT code for WoS article
001573295400001
EID of the result in the Scopus database
2-s2.0-105018762295