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Screening the baseline fish bioconcentration factor of various types of surfactants using phospholipid binding data.
- Source :
-
Environmental science. Processes & impacts [Environ Sci Process Impacts] 2021 Dec 15; Vol. 23 (12), pp. 1930-1948. Date of Electronic Publication: 2021 Dec 15. - Publication Year :
- 2021
-
Abstract
- Fish bioconcentration factors (BCFs) are commonly used in chemical hazard and risk assessment. For neutral organic chemicals BCFs are positively correlated with the octanol-water partition ratio ( K <subscript>OW</subscript> ), but K <subscript>OW</subscript> is not a reliable parameter for surfactants. Membrane lipid-water distribution ratios ( D <subscript>MLW</subscript> ) can be accurately measured for all kinds of surfactants, using phospholipid-based sorbents. This study first demonstrates that D <subscript>MLW</subscript> values for ionic surfactants are more than 100 000 times higher than the partition ratio to fish-oil, representing neutral storage lipid. A non-ionic alcohol ethoxylate surfactant showed almost equal affinity for both lipid types. Accordingly, a baseline screening BCF value for surfactants (BCF <subscript>baseline</subscript> ) can be approximated for ionic surfactants by multiplying D <subscript>MLW</subscript> by the phospholipid fraction in tissue, and for non-ionic surfactants by multiplying D <subscript>MLW</subscript> by the total lipid fraction. We measured D <subscript>MLW</subscript> values for surfactant structures, including linear and branched alkylbenzenesulfonates, an alkylsulfoacetate and an alkylethersulfate, bis(2-ethylhexyl)-surfactants ( e.g. , docusate), zwitterionic alkylbetaines and alkylamine-oxides, and a polyprotic diamine. Together with sixty previously published D <subscript>MLW</subscript> values for surfactants, structure-activity relationships were derived to elucidate the influence of surfactant specific molecular features on D <subscript>MLW</subscript> . For 23 surfactant types, we established the alkyl chain length at which BCF <subscript>baseline</subscript> would exceed the EU REACH bioaccumulation (B) threshold of 2000 L kg <superscript>-1</superscript> , and would therefore require higher tier assessments to further refine the BCF estimate. Finally, the derived BCF <subscript>baseline</subscript> are compared with measured literature in vivo BCF data where available, suggesting that refinements, most notably reliable estimates of biotransformation rates, are needed for most surfactant types.
Details
- Language :
- English
- ISSN :
- 2050-7895
- Volume :
- 23
- Issue :
- 12
- Database :
- MEDLINE
- Journal :
- Environmental science. Processes & impacts
- Publication Type :
- Academic Journal
- Accession number :
- 34787154
- Full Text :
- https://doi.org/10.1039/d1em00327e