liu.seSearch for publications in DiVA
12345672 of 16
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • oxford
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Improved Workflows for Holistic Insights into Indoor Distribution and Human Exposure to Polychlorinated Alkanes
Linköping University, Department of Physics, Chemistry and Biology, Chemistry. Linköping University, Faculty of Science & Engineering.ORCID iD: 0009-0000-5823-7105
2026 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Polychlorinated n-alkanes (PCAs), the main component of chlorinated paraffin mixtures (CPs), are complex industrial chemicals widely used as plasticizers, flame retardants, and additives in numerous commercial products and building materials. Due to their persistence, bioaccumulative potential, and widespread use, PCAs are ubiquitous in environmental and biological matrices. However, their extreme compositional complexity hinders harmonized analytical methodologies and toxicological information, challenging exposure assessment and risk evaluation.

The overall objective of this thesis was to improve the understanding of human exposure to PCAs. To contribute to this goal, the thesis aimed to develop analytical workflows, investigate PCA contamination in indoor environments, assess human exposure, and identify important exposure sources and pathways.

To address analytical challenges, CPxplorer, a harmonized high-resolution mass spectrometry-based data analysis workflow, was developed for the identification and quantification of PCAs and related compounds. The workflow was successfully applied across different instrumental platforms and matrices, including indoor dust, indoor organic films (IOFs), silicone wristbands (SWBs), food, and human serum, improving analytical consistency and comparability.

Indoor dust and IOFs collected from Swedish homes, schools, offices, and sport halls revealed widespread PCA contamination. Medium-chain PCAs (ΣPCAs-C14–17) dominated most indoor matrices, while differences between dust and IOFs reflected matrix-specific partitioning and accumulation processes. Ventilation, cleaning practices, and indoor activities influenced PCA concentrations and patterns, although no single factor fully explained the observed variability.

Human exposure assessment demonstrated that PCA exposure is highly multipathway. Estimated dietary intake exceeded exposure estimates derived from indoor matrices, indicating that food likely represents the major contributor to total external exposure. Nevertheless, chemical forensic fingerprinting analyses showed that PCA homologue patterns measured in serum were more similar to indoor dust and IOFs than to food. Likewise, PCA profiles measured in SWBs were well reconstructed using PCA patterns in indoor environmental matrices, highlighting indoor environments, particularly homes, as important exposure scenarios. These findings suggest that the pathways contributing most to total exposure are not necessarily those most strongly reflected in internal exposure profiles, likely due to variation in homologue-specific bioavailability and toxicokinetics.

Overall, this thesis demonstrates that understanding human exposure to PCAs requires integrated analytical, environmental, and biomonitoring approaches. The results provide new insights into PCA occurrence, partitioning behavior, exposure pathways, and internal exposure patterns, while also contributing methodological tools to support future monitoring, exposure assessment, and regulatory efforts aimed at reducing human exposure to these persistent contaminants.

Place, publisher, year, edition, pages
Linköping: Linköping University Electronic Press, 2026. , p. 70
Series
Linköping Studies in Science and Technology. Dissertations, ISSN 0345-7524 ; 2528
Keywords [en]
Chlorinated Paraffins, Polychlorinated Alkanes, Analytical Chemistry, Indoor Environment, Human Exposure
National Category
Organic Chemistry Occupational Health and Environmental Health
Identifiers
URN: urn:nbn:se:liu:diva-226718DOI: 10.3384/9789181185843ISBN: 9789181185836 (print)ISBN: 9789181185843 (electronic)OAI: oai:DiVA.org:liu-226718DiVA, id: diva2:2091896
Public defence
2026-09-11, Planck, F Building, Campus Valla, Linköping, 09:15 (English)
Opponent
Supervisors
Available from: 2026-08-13 Created: 2026-08-13 Last updated: 2026-08-13Bibliographically approved
List of papers
1. Polychlorinated alkanes in indoor environment: A review of levels, sources, exposure, and health implications for chlorinated paraffin mixtures
Open this publication in new window or tab >>Polychlorinated alkanes in indoor environment: A review of levels, sources, exposure, and health implications for chlorinated paraffin mixtures
Show others...
2024 (English)In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 365, article id 143326Article, review/survey (Refereed) Published
Abstract [en]

Polychlorinated n-alkanes (PCAs) are the main components of chlorinated paraffins (CPs) mixtures, that have been commonly grouped into short-chain (SCCPs, C10-13), medium-chain (MCCPs, C14-17), and long-chain (LCCPs, C18-30) CPs. PCAs pose a significant risk to human health as they are broadly present in indoor environments and are potentially persistent, bioaccumulative, and toxic. The lack of specific terminology and harmonization in analytical methodologies for PCA analysis complicates direct comparisons between studies. The present work summarizes the different methodologies applied for the analysis of PCAs in indoor dust, air, and organic films. The large variability between the reviewed studies points to the difficulties to assess PCA contamination in these matrices and to mitigate risks associated with indoor exposure. Based on our review of physicochemical properties of PCAs and previously reported sum of measurable S/M/LCCPs levels, the homologue groups PCAs-C10-13 are found to be mostly present in the gas phase, PCAs-C14-17 in particulate matter and organic films, and PCAs-C≥18 in settled dust. However, we emphasized that mapping PCA sources and distribution in the indoors is highly dependent on the individual homologues. To further comprehend indoor PCA distribution, we described the uses of PCA in building materials and household products to apportion important indoor sources of emissions and pathways for human exposure. The greatest risk for indoor PCAs were estimated to arise from dermal absorption and ingestion through contact with dust and CP containing products. In addition, there are several factors affecting indoor PCA levels and exposure in different regions, including legislation, presence of specific products, cleaning routines, and ventilation frequency. This review provides comprehensive analysis of available indoor PCA data, the physicochemical properties, applied analytical methods, possible interior sources, variables affecting the levels, human exposure to PCAs, as well as need for more information, thereby providing perspectives for future research studies.

Place, publisher, year, edition, pages
Elsevier, 2024
National Category
Occupational Health and Environmental Health
Identifiers
urn:nbn:se:liu:diva-211141 (URN)10.1016/j.chemosphere.2024.143326 (DOI)39306115 (PubMedID)2-s2.0-85205147450 (Scopus ID)
Funder
Swedish Research Council Formas, 2020-01163Swedish Research Council Formas, 2020-01067
Available from: 2025-01-24 Created: 2025-01-24 Last updated: 2026-08-13
2. Streamlining Quantification and Data Harmonization of Polychlorinated Alkanes Using a Platform-Independent Workflow
Open this publication in new window or tab >>Streamlining Quantification and Data Harmonization of Polychlorinated Alkanes Using a Platform-Independent Workflow
Show others...
2025 (English)In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 59, no 41, p. 22074-22084Article in journal (Refereed) Published
Abstract [en]

Reliable quantification of polychlorinated alkanes (PCAs) remains a major challenge, hindering environmental research across diverse matrices. Each sample can contain over 500 homologue groups, collectively producing >1000 m/z ratios that require interference checks. High-resolution mass spectrometry methods vary in ionization signals and data formats and require specialized algorithms for quantification. CPxplorer streamlines data processing through the integration of three modules: (1) CPions generates target ion sets and isotopic thresholds for compound identification into the next module; (2) Skyline performs instrument-independent data integration, interference evaluation, and homologue profiling; and (3) CPquant deconvolves homologues and reports concentrations using reference standards and homologue profiles from Skyline. Evaluation of the workflow with NIST-SRM-2585 dust and ERM-CE100 fish tissue material yielded comparable results across raw data formats from different instruments. Further applications of CPxplorer across diverse matrices, including indoor dust, organic films, silicone wrist bands, and food samples, demonstrated the usefulness in biological and environmental monitoring. Compared to existing tools limited to qualitative detection, CPxplorer enables quantitative outputs, reduces processing time, and expands functionality to PCA-like substances (e.g., BCAs) and PCA degradation products (e.g., OH-PCAs). CPxplorer reduces learning barriers, empowers users to quantify PCAs across various analytical instruments, and contributes to generating comparable results in the field.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2025
Keywords
polychlorinated alkanes; chlorinated paraffins; quantification; data harmonization; persistentorganic pollutants; analytical method
National Category
Analytical Chemistry
Identifiers
urn:nbn:se:liu:diva-218725 (URN)10.1021/acs.est.5c04928 (DOI)001591446200001 ()41065412 (PubMedID)2-s2.0-105019094841 (Scopus ID)
Funder
Swedish Research Council Formas, 2020-01067Swedish Research Council Formas, 2020-01163Carl Tryggers foundation , CTS 24:3351Swedish Environmental Protection Agency, 219-23-004
Note

Funding Agencies|National Natural Science Foundation of China [2020-01163, 2020-01067]; Swedish Research Council for Environment, Agricultural Sciences, and Spatial Planning (FORMAS) [CTS 24:3351]; Carl Trygger Foundation [219-23-004]; Swedish Environmental Protection Agency [W2411007]; National Science Foundation of China

Available from: 2025-10-14 Created: 2025-10-14 Last updated: 2026-08-13
3. Indoor organic films and dust as reservoirs of polychlorinated alkanes: Enrichment patterns and exposure implications
Open this publication in new window or tab >>Indoor organic films and dust as reservoirs of polychlorinated alkanes: Enrichment patterns and exposure implications
Show others...
2026 (English)In: Environmental Pollution, ISSN 0269-7491, E-ISSN 1873-6424, Vol. 398, article id 128099Article in journal (Refereed) Published
Abstract [en]

ndoor environments have shown to be a major source of human exposure of polychlorinated alkanes (PCAs), yet information on their distribution across indoor matrices and associated exposure pathways remains limited. PCAs, the main components in chlorinated paraffin mixtures, are widely used as flame retardants and plastic additives in numerous indoor consumer products and materials. This study quantified PCAs in paired indoor dust and indoor organic films (IOFs) from homes, offices, schools and gym sports halls (n = 41) in Sweden and assess their contribution to human exposure. Mean PCA concentrations in indoor dust were 7.3, 43.2, and 14.6 μg g− 1 for ∑PCAs-C10–13, ∑PCAs-C14–17, and ∑PCAs-C18–30, respectively, while corresponding concentrations in IOFs were 38.2, 312, and 123 ng m− 2. PCAs-C14–17 dominated both matrices, but IOFs showed an enrichment tendency towards longer-chain, higher-KOA PCAs, reflecting the less frequent cleaning and longer-term PCA accumulation in IOFs. IOF concentrations were particularly elevated in schools, and PCA variation across sites was influenced by differences in ventilation practices and building age. Dermal uptake was the dominant exposure pathway for children, with substantially estimated doses from IOFs, while adults show comparable dust dermal and dust ingestion exposures. PCA transformation products formed through hydroxylation, hydrolysis, and sulfation were also tentatively detected in both matrices. These findings highlight the importance of jointly assessing dust and IOFs to better characterize multipathway exposure to the diverse PCA mixture in indoor environments.

Place, publisher, year, edition, pages
Elsevier, 2026
Keywords
Polychlorinated alkanes, Chlorinated paraffins, Indoor environments, Indoor dust, Indoor organic film, Human exposure
National Category
Analytical Chemistry
Identifiers
urn:nbn:se:liu:diva-222924 (URN)10.1016/j.envpol.2026.128099 (DOI)001748710400001 ()41966364 (PubMedID)2-s2.0-105036240527 (Scopus ID)
Funder
Swedish Research Council FormasCarl Tryggers foundation , CTS 24 : 3351Swedish Environmental Protection Agency, 219-23-004
Available from: 2026-04-16 Created: 2026-04-16 Last updated: 2026-08-13

Open Access in DiVA

fulltext(6038 kB)78 downloads
File information
File name FULLTEXT01.pdfFile size 6038 kBChecksum SHA-512
c09363cc94cac4cc31146aaa3bde2653f8db186ca53e217c7029e662483b9f8ac468e585994f89ef879eef47dde4edc524753da5daa0ea6b9d00a309254cff8c
Type fulltextMimetype application/pdf
Order online >>

Other links

Publisher's full text

Authority records

Beloki Ezker, Idoia

Search in DiVA

By author/editor
Beloki Ezker, Idoia
By organisation
ChemistryFaculty of Science & Engineering
Organic ChemistryOccupational Health and Environmental Health

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

doi
isbn
urn-nbn

Altmetric score

doi
isbn
urn-nbn
Total: 6677 hits
12345672 of 16
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • oxford
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf