Predicting the biodegradation products of perfluorinated chemicals using CATABOL
Predicting the biodegradation products of perfluorinated chemicals using CATABOL
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DOI：
10.1080/1062936032000169688
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发表时间：
2004-02-01
影响因子：
3
通讯作者：
Mekenyan, O
中科院分区：
文献类型：
--
作者：
Dimitrov, S;Kamenska, V;Mekenyan, O
全氟化合物(PFC)是一类特殊的有机氟化合物，具有特别有用和独特的性质。在过去的几十年里，它们的大量使用增加了人们对它们环境命运研究的兴趣。氟碳化合物可能通过其在环境中的分解产物对环境产生直接或间接的环境影响。众所周知，生物降解仅限于分子的非全氟部分；然而，一些研究表明，生物转化过程中很容易发生脱氟。为了评估全氟碳化物在环境中的去向，利用分解代谢物软件引擎(CATABOL)开发了一套主要转化并在微生物降解模拟器中实现。该模拟器被用来生成加拿大国内物质清单上171种全氟物质的代谢途径。研究发现，虽然母体化合物的生物降解率可达60%，但仍可形成相当数量的持久性代谢物。在微生物降解过程中，观察到了全氟化碳转化为更具生物累积性和更具毒性的产品的趋势。全氟辛酸和全氟辛磺酸分别是17%和27%的全氟磺酸和羧酸化合物的持久性生物降解产物。
Perfluorinated chemicals (PFCs) form a special category of organcifluorine compounds with particularly useful and unique properties. Their large use over the past decades increased the interest in the study of their environmental fate. Fluorocarbons may have direct or indirect environmental impact through the products of their decomposition in the environment. It is a common knowledge that biodegradation is restricted within non-perfluorinated part of molecules; however, a number of studies showed that defluorination can readily occur during biotransformation. To evaluate the fate of PFCs in the environment a set of principal transformations was developed and implemented in the simulator of microbial degradation using the catabolite software engine (CATABOL). The simulator was used to generate metabolic pathways for 171 perfluorinated substances on Canada's domestic substances list. It was found that although the extent of biodegradation of parent compounds could reach 60%, persistent metabolites could be formed in significant quantities. During the microbial degradation a trend was observed where PFCs are transformed to more bioaccumulative and more toxic products. Perfluorooctanoic acid and perfluorooctanesulfonate were predicted to be the persistent biodegradation products of 17 and 27% of the perfluorinated sulphonic acid and carboxylic acid containing compounds, respectively.