Major AhR-active chemicals in sediments of Lake Sihwa, South Korea: Application of effect-directed analysis combined with full-scan screening analysis

다국어 초록 (Multilingual Abstract)

<P><B>Abstract</B></P> <P>This study utilized effect-directed analysis (EDA) combined with full-scan screening analysis (FSA) to identify aryl hydrocarbon receptor (AhR)-active compounds in sediments of inland creeks flowing into Lake Sihwa, South Korea. The specific objectives were to (i) investigate the major AhR-active fractions of organic extracts of sediments by using H4IIE-<I>luc in vitro</I> bioassay (4 h and 72 h exposures), (ii) quantify known AhR agonists, such as polycyclic aromatic hydrocarbons (PAHs) and styrene oligomers (SOs), (iii) identify unknown AhR agonists by use of gas chromatography-quadrupole time-of-flight mass spectrometry (GC-QTOFMS), and (iv) determine contributions of AhR agonists to total potencies measured by use of the bioassay. FSA was conducted on fractions F2.6 and F2.7 (aromatics with log K<SUB>ow</SUB> 5–7) in extracts of sediment from Siheung Creek (industrial area). Those fractions exhibited significant AhR-mediated potency as well as relatively great concentrations of PAHs and SOs. FSA detected 461 and 449 compounds in F2.6 and F2.7, respectively. Of these, five tentative candidates of AhR agonist were selected based on NIST library matching, aromatic structures and numbers of rings, and available standards. Benz[<I>b</I>]anthracene, 11H-benzo[<I>a</I>]fluorene, and 4,5-methanochrysene exhibited significant AhR-mediated potency in the H4IIE-<I>luc</I> bioassay, and relative potencies of these compounds were determined. Potency balance analysis demonstrated that these three newly identified AhR agonists explained 1.1% to 67% of total induced AhR-mediated potencies of samples, which were particularly great for industrial sediments. Follow-up studies on sources and ecotoxicological effects of these compounds in coastal environments would be required.</P> <P><B>Highlights</B></P> <P> <UL> <LI> EDA combined with FSA identified unknown toxicants in industrial sediments. </LI> <LI> Benz[<I>b</I>]anthracene, 11H-benzo[<I>a</I>]fluorene, and 4,5-methanochrysene are novel AhR agonists. </LI> <LI> Benz[<I>b</I>]anthracene showed 10-fold greater AhR potency compared to benzo[<I>a</I>]pyrene. </LI> <LI> Newly identified AhR agonists significantly contributed to AhR potencies from sediments. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>