Characterization of AhR-mediated potency in sediments from Kongsfjorden, Svalbard: Application of effect-directed analysis and nontarget screening

Abstract

In this study, we aimed to identify the major aryl hydrocarbon receptor (AhR) agonists in surface sediments (S1？S10, n = 10) from Kongsfjorden, Arctic Svalbard, using effect-directed analysis. High AhR-mediated potencies were observed in the mid-polar fractions and RP-HPLC subfractions (F2.6？F2.8; log KOW 5？8) in the sediments of sites S2 and S3, which are located near abandoned coal mine areas, as assessed by the H4IIE-luc bioassay. The concentrations of traditional polycyclic aromatic hydrocarbon (t-PAHs), emerging PAHs, alkyl-PAHs, and styrene oligomers ranged from 6.1 to 2100 ng g-1 dry weight (dw), 0.5 to 1000 ng g-1 dw, 47 to 79,000 ng -1dw, and 4.2 to 130 ng g-1 dw, respectively, with elevated levels in S2 and S3. Principal component analysis coupled with multiple linear regression suggested that t-PAHs in sediments primarily originated from coal, petroleum combustion, and coal combustion. Twenty-four target AhR agonists accounted for 3.2%？100% (mean = 47%) of the total AhR-mediated potencies in S2 and S3. Nontarget screening via GC-QTOFMS in the highly potent fractions identified 48 AhR agonist candidates through four-step selection criteria. Among these, 27 compounds were identified as coal-derived substances. VirtualToxLab in silico modeling confirmed that most of the 48 tentative AhR agonist candidates could bind to AhR. Overall, our findings indicate significant contamination of the Kongsfjorden sediments by coal-derived substances, highlighting the need for further studies to assess the ecological risks associated with these contaminants.