title: Toxicity and composition profiles of solid phase extracts of oil sands process-affected water.
abstract: After fractionation using sequential solid phase extraction, the presence of toxic components in oil sands process-affected water (OSPW) was detected by the Microtox® acute toxicity assay using effect-directed analysis. The composition of each fraction was determined by high-resolution electrospray ionization-Orbitrap mass spectrometry. Partial least-squares discriminant analysis (PLS-DA) was used to determine which chemical constituents in all seven fractions co-varied most strongly with toxicity. Although O2 compounds with double bond equivalence (DBE) between 3 and 9 positively correlated with toxicity, C15-C18 O2-NAs with DBE=4 (tricyclic structure), as well as C14-C17 O2-NAs with DBE=3 (bicyclic structure), were found to be most likely associated with OSPW toxicity, consistent with published toxicity studies of surrogate NAs. O4, many O3 (i.e. possibly hydroxylated O2 c-NAs) and a few O2 compounds were found to negatively correlate with toxicity. The results demonstrate the utility of the fractionation and the PLS-DA approach for evaluating composition-response relationships in a complex mixture and also contribute to a better understanding of the toxic compounds in OSPW. These findings will help to focus study on the most environmentally significant components in OSPW.
authors: Chemical Engineering, Queen's University, Kingston, ON K7L 3N6, Canada.
authors: Siqing
authors: S
authors: Yue
authors: Chemical Engineering, Queen's University, Kingston, ON K7L 3N6, Canada.
authors: Bruce A
authors: BA
authors: Ramsay
authors: Chemistry, Queen's University, Kingston, ON K7L 3N6, Canada.
authors: Jiaxi
authors: J
authors: Wang
authors: Chemical Engineering, Queen's University, Kingston, ON K7L 3N6, Canada. Electronic address: juliana.ramsay@queensu.ca.
authors: Juliana
authors: J
authors: Ramsay
mesh_terms: D005591:Chemical Fractionation; D004784:Environmental Monitoring; D007220:Industrial Waste; D061329:Oil and Gas Fields; D059392:Petroleum Pollution; D052616:Solid Phase Extraction; D021241:Spectrometry, Mass, Electrospray Ionization; D018675:Toxicity Tests; D014874:Water Pollutants, Chemical / Q000737:chemistry / Q000633:toxicity*
chemical_list: D007220:Industrial Waste; D014874:Water Pollutants, Chemical
keywords: Effect-directed analysis; Naphthenic acids; Oil sands process-affected water; Toxicity