| Title: | Combining Headspace Solid-Phase Microextraction with Internal Benchmarking to Determine the Elimination Kinetics of Hydrophobic UVCBs |
| Author(s): | Suhring R; Knudsmark Sjoholm K; Mayer P; MacLeod M; |
| Address: | "Department for Environmental Science, Stockholm University, 114 19 Stockholm, Sweden. Department of Chemistry and Biology, Ryerson University, Toronto, Ontario M5B 2K3, Canada. Department of Environmental Engineering, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark" |
| ISSN/ISBN: | 1520-5851 (Electronic) 0013-936X (Linking) |
| 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" |
| Keywords: | Animals Benchmarking Gas Chromatography-Mass Spectrometry Kinetics *Solid Phase Microextraction *Volatile Organic Compounds/analysis Hs-spme equilibrium sampling internal benchmarking kinetic BCF mixture analysis suspect-screening analysis; |
| Notes: | "MedlineSuhring, Roxana Knudsmark Sjoholm, Karina Mayer, Philipp MacLeod, Matthew eng Research Support, Non-U.S. Gov't 2021/07/30 Environ Sci Technol. 2021 Aug 17; 55(16):11125-11132. doi: 10.1021/acs.est.1c00179. Epub 2021 Jul 29" |
