PMID- 34324805
OWN - NLM
STAT- MEDLINE
DCOM- 20210908
LR  - 20210908
IS  - 1520-5851 (Electronic)
IS  - 0013-936X (Linking)
VI  - 55
IP  - 16
DP  - 2021 Aug 17
TI  - Combining Headspace Solid-Phase Microextraction with Internal Benchmarking to 
      Determine the Elimination Kinetics of Hydrophobic UVCBs.
PG  - 11125-11132
LID - 10.1021/acs.est.1c00179 [doi]
AB  - 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.
FAU - Suhring, Roxana
AU  - Suhring R
AUID- ORCID: 0000-0002-7285-8044
AD  - Department for Environmental Science, Stockholm University, 114 19 Stockholm, 
      Sweden.
AD  - Department of Chemistry and Biology, Ryerson University, Toronto, Ontario M5B 
      2K3, Canada.
FAU - Knudsmark Sjoholm, Karina
AU  - Knudsmark Sjoholm K
AUID- ORCID: 0000-0002-2964-3849
AD  - Department of Environmental Engineering, Technical University of Denmark, 2800 
      Kgs. Lyngby, Denmark.
FAU - Mayer, Philipp
AU  - Mayer P
AUID- ORCID: 0000-0001-5138-7506
AD  - Department of Environmental Engineering, Technical University of Denmark, 2800 
      Kgs. Lyngby, Denmark.
FAU - MacLeod, Matthew
AU  - MacLeod M
AUID- ORCID: 0000-0003-2562-7339
AD  - Department for Environmental Science, Stockholm University, 114 19 Stockholm, 
      Sweden.
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20210729
PL  - United States
TA  - Environ Sci Technol
JT  - Environmental science & technology
JID - 0213155
RN  - 0 (Volatile Organic Compounds)
SB  - IM
MH  - Animals
MH  - Benchmarking
MH  - Gas Chromatography-Mass Spectrometry
MH  - Kinetics
MH  - *Solid Phase Microextraction
MH  - *Volatile Organic Compounds/analysis
OTO - NOTNLM
OT  - HS-SPME
OT  - equilibrium sampling
OT  - internal benchmarking
OT  - kinetic BCF
OT  - mixture analysis
OT  - suspect-screening analysis
EDAT- 2021/07/30 06:00
MHDA- 2021/09/09 06:00
CRDT- 2021/07/29 20:08
PHST- 2021/07/30 06:00 [pubmed]
PHST- 2021/09/09 06:00 [medline]
PHST- 2021/07/29 20:08 [entrez]
AID - 10.1021/acs.est.1c00179 [doi]
PST - ppublish
SO  - Environ Sci Technol. 2021 Aug 17;55(16):11125-11132. doi: 
      10.1021/acs.est.1c00179. Epub 2021 Jul 29.