Quantum chemical calculation to elucidate the biodegradation pathway of methylphenanthrene by green microalgae.,Water Research

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Quantum chemical calculation to elucidate the biodegradation pathway of methylphenanthrene by green microalgae.
Water Research ( IF 11.4 ) Pub Date : 2020-02-08 , DOI: 10.1016/j.watres.2020.115598
Lijuan Luo ₁ , Zhengyu Xiao ₂ , Xiaoyu Zhou ₃ , Lihua Yang ₂ , Shusheng Luo ₄ , Cunyuan Zhao ₃ , Tiangang Luan ₁

Affiliation

Alkylated polycyclic aromatic hydrocarbons (APAHs) are the main components of polycyclic aromatic hydrocarbons (PAHs) in petroleum-contaminated waters. In our study, three kinds of green microalgae (Pseudokirchneriella subcapitata, Chlorella vulgaris and Scenedesmus obliquus) were shown to degrade six kinds of methylphenanthrenes (1-methylphenanthren, 2-methylphenanthrenem, 3-nmmethylphenanthrene, 4-methylphenanthren, 9-methylphenanthrene and 3,6-dimethylphenanthrene) with different degrading abilities. Among the six methylphenanthrenes, 99.8% of 1-methylphenanthrene (1-MP) was removed and 75.6% of 3,6-dimethylphenanthrene (3,6-DMP) was removed by P. subcapitata after 7 days of incubation. The metabolites of 1-MP and 3,6-DMP were identified by gas chromatograph-mass spectrometer (GC-MS). Six metabolites of 1-MP and one metabolite of 3,6-DMP were found, they were all monohydroxylated methylphenanthrenes. The -OH group was added to either methyl-group or benzene ring through the monooxygenase system, and the methyl-group attack was the main pathway. This research increases our knowledge of the degrading ability of APAHs by green microalgae and offers information for the bioremediation of APAHs. Quantum chemical calculation was conducted to elucidate the biodegradation metabolites of methylphenanthrene by green microalgae, which is a helpful tool in the bioremediation of environmental pollution.

中文翻译：

量子化学计算，阐明绿色微藻类对甲基菲的生物降解途径。

烷基化多环芳烃（APAH）是石油污染水中多环芳烃（PAH）的主要成分。在我们的研究中，三种绿色微藻（假单胞藻，小球藻和斜生小球藻）被证明可降解六种甲基菲（1-甲基菲，2-甲基菲，3-nm甲基菲，4-甲基菲，9-甲基菲和3）。 6-二甲基菲）具有不同的降解能力。孵育7天后，在亚甲基毕赤酵母中，除去了6种甲基菲中的19.8％1-甲基菲（1-MP）和75.6％的3,6-二甲基菲（3,6-DMP）。用气相色谱-质谱仪（GC-MS）鉴定1-MP和3,6-DMP的代谢产物。1-MP的6种代谢物和3种的1种代谢物发现6-DMP，它们都是单羟基化的甲基菲。通过单加氧酶系统将-OH基团加至甲基或苯环上，而甲基基团的攻击是主要途径。这项研究增加了我们对绿色微藻对APAHs降解能力的认识，并为APAHs的生物修复提供了信息。进行了量子化学计算，以阐明绿色微藻对甲基菲的生物降解代谢产物，这是对环境污染进行生物修复的有用工具。这项研究增加了我们对绿色微藻对APAHs降解能力的认识，并为APAHs的生物修复提供了信息。进行了量子化学计算，以阐明绿色微藻对甲基菲的生物降解代谢产物，这是对环境污染进行生物修复的有用工具。这项研究增加了我们对绿色微藻对APAHs降解能力的认识，并为APAHs的生物修复提供了信息。进行了量子化学计算，以阐明绿色微藻对甲基菲的生物降解代谢产物，这是对环境污染进行生物修复的有用工具。

更新日期：2020-02-10

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