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首页> 外文期刊>Environmental Science & Technology >Estimates of Octanol-Water Partitioning for Thousands of Dissolved Organic Species in Oil Sands Process-Affected Water
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Estimates of Octanol-Water Partitioning for Thousands of Dissolved Organic Species in Oil Sands Process-Affected Water

机译：油砂工艺影响水中的数千​​种溶解有机物的辛醇-水分配估算

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摘要

In this study, the octanol-water distribution ratios (D_(OW), that is, apparent K_(OW) at pH 8.4) of 2114 organic species in oil sands process-affected water were estimated by partitioning to polydimethylsiloxane (PDMS) coated stir bars and analysis by ultrahigh resolution orbitrap mass spectrometry in electrospray positive (+) and negative (-) ionization modes. At equilibrium, the majority of species in OSPW showed negligible partitioning to PDMS (i.e., D_(OW) ＜1), however estimated D_(OW)'s for some species ranged up to 100000. Most organic acids detected in ESI- had negligible partitioning, although some naphthenic acids (O_2~- species) had estimated D_(OW) ranging up to 100. Polar neutral and basic compounds detected in ESI+ generally partitioned to PDMS to a greater extent than organic acids. Among these species, D_(OW) was greatest among 3 groups: up to 1000 for mono-oxygenated species (O~+ species), up to 127 000 for NO~+ species, and up to 203 000 for SO~+ species. A positive relationship was observed between D_(OW) and carbon number, and a negative relationship was observed with the number of double bonds (or rings). The results highlight that nonacidic compounds in OSPW are generally more hydrophobic than naphthenic acids and that some may be highly bioaccumulative and contribute to toxicity.
机译：在这项研究中，通过分配到聚二甲基硅氧烷（PDMS）涂层搅拌液中，估算了油砂工艺受影响的水中2114种有机物的辛醇-水分布比（D_（OW），即pH 8.4下的表观K_（OW））条形图和超高分辨率Orbitrap质谱仪在电喷雾正（+）和负（-）电离模式下进行分析。在平衡状态下，OSPW中的大多数物种对PDMS的分配可以忽略不计（即D_（OW）＜1），但是某些物种的D_（OW）估计值高达100000。在ESI-中检测到的大多数有机酸可以忽略不计。尽管有些环烷酸（O_2〜-种类）的D_（OW）估计高达100，但在ESI +中检测到的极性中性和碱性化合物通常比有机酸更大程度地分配给PDMS。在这些物种中，D_（OW）在三组中最大：单加氧物种（O〜+物种）高达1000，NO〜+物种高达127 000，SO〜+物种高达203 000。 D_（OW）与碳原子数之间呈正相关，与双键（或环）数呈负相关。结果表明，OSPW中的非酸性化合物通常比环烷酸疏水性更高，并且某些化合物可能具有很高的生物蓄积性，并且会导致毒性。

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  • 来源
    《Environmental Science & Technology》 |2015年第14期|8907-8913|共7页
  • 作者

    Kun Zhang; Alberto S. Pereira; Jonathan W. Martin;

  • 作者单位

    Division of Analytical & Environmental Toxicology, Department of Laboratory Medicine & Pathology, University of Alberta, Edmonton, Alberta Canada, T6G 2G3;

    Division of Analytical & Environmental Toxicology, Department of Laboratory Medicine & Pathology, University of Alberta, Edmonton, Alberta Canada, T6G 2G3;

    Division of Analytical & Environmental Toxicology, Department of Laboratory Medicine & Pathology, University of Alberta, Edmonton, Alberta Canada, T6G 2G3;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
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