Chemical Engineering, Queen's University, Kingston, ON K7L 3N6, Canada.
Chemistry, Queen's University, Kingston, ON K7L 3N6, Canada.
Sci Total Environ. 2015 Dec 15;538:573-82. doi: 10.1016/j.scitotenv.2015.08.079. Epub 2015 Aug 28.
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.
采用顺序固相萃取法进行分段后，利用效应定向分析的 Microtox®急性毒性测定法检测油砂加工影响水（OSPW）中的有毒成分。通过高分辨电喷雾电离-Orbitrap 质谱确定每个馏分的组成。采用偏最小二乘判别分析（PLS-DA）确定所有七个馏分中与毒性变化最密切相关的化学成分。尽管具有 3 到 9 个双键等价物（DBE）的 O2 化合物与毒性呈正相关，但具有 DBE=4（三环结构）的 C15-C18 O2-NA，以及具有 DBE=3（双环结构）的 C14-C17 O2-NA，被认为与 OSPW 毒性最相关，与替代 NA 的已发表毒性研究一致。O4、许多 O3（即可能是羟基化的 O2 c-NA）和少数 O2 化合物与毒性呈负相关。这些结果证明了分段和 PLS-DA 方法在评估复杂混合物中的成分-反应关系方面的有效性，也有助于更好地了解 OSPW 中的有毒化合物。这些发现将有助于将研究重点放在 OSPW 中最具环境意义的成分上。
