Combining Headspace Solid-Phase Microextraction with Internal Benchmarking to Determine the Elimination Kinetics of Hydrophobic UVCBs

Roxana Sühring, Karina Knudsmark Sjøholm*, Philipp Mayer, Matthew Macleod

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

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Abstract

Substances classified as unknown or variable composition, complex reaction products or biological origin (UVCB) present a challenge for environmental hazard and risk assessment. Here, we present a novel approach for whole-substance bioconcentration testing applied to cedarwood oil - an essential oil composed of volatile, hydrophobic organic chemicals. The method yields whole-body elimination rate constants for a mixture of constituents. Our approach combines in vivo dietary fish exposure with internal benchmarking and headspace solid-phase microextraction (HS-SPME) equilibrium sampling followed by suspect-screening analysis. We quantified depuration rate constants of 13 individual cedarwood oil constituents based on relative peak areas using gas chromatography (GC) coupled with Orbitrap-mass spectrometry (MS) and GC triple-quadrupole (QqQ)-MS. For seven constituents with available analytical standards, we compared the rate constants to the results obtained from solvent extraction, clean-up, and targeted GC-MS analysis. The HS-SPME sampling approach allowed for automated sample extraction and analyte enrichment while minimizing evaporative losses of the volatile target analytes and reducing matrix interferences from low-volatility organics. The suspect-screening analysis enabled the quantification of constituents without available analytical standards, while the internal benchmarking significantly reduced variability from differences in delivered dose and analytical variability between the samples.
Original languageEnglish
JournalEnvironmental Science and Technology
Volume55
Issue number16
Pages (from-to)11125-11132
ISSN0013-936X
DOIs
Publication statusPublished - 2021

Keywords

  • Mixture analysis
  • Kinetic BCF
  • Internal benchmarking
  • Suspect-screening analysis
  • Equilibrium sampling
  • HS-SPME

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