The structure activity relationship of non-dissolved redox mediators during azo dye bio-decolorization processes.
The structure activity relationship of non-dissolved redox mediators during azo dye bio-decolorization processes.
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DOI：
10.1016/j.biortech.2012.02.106
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发表时间：
2012-05
影响因子：
11.4
通讯作者：
Jianbo Guo;Huijuan Liu;J. Qu;J. Lian;Li-jun Zhao;William A. Jefferson;Jing-liang Yang
中科院分区：
文献类型：
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作者：
Jianbo Guo;Huijuan Liu;J. Qu;J. Lian;Li-jun Zhao;William A. Jefferson;Jing-liang Yang
通过对具有相似化学结构的非溶解性氧化还原介质（RM，醌类）的化学结构、电化学和量子化学计算，阐明了构效关系。对一株盐单胞菌GYW，1，5-二氯蒽醌、1，8-二氯蒽醌、蒽醌和1，4，5，8-四氯蒽醌对酸性红B的脱色率分别提高了2.68、2.58、1.91和1.49倍。四种氧化还原介质脱色过程中氧化还原电位（ORP）的大小顺序与循环伏安法测定的还原电位（Ea）大小顺序一致。四种氧化还原介质的脱色率（k）与其Ea值呈线性关系（k=269.05Ea+85.782，R2=0.9226）。基于分子中原子（AIM）理论计算的环临界点（RCP）的ρ（rc）和四种氧化还原介体的诱导/共振效应也与脱色的加速效应相一致。这些关系可能是氧化还原介体加速脱色的预测模型和机理解释。
Structure activity relationships were elucidated by applying chemical structure, electrochemistry and quantum chemical calculations for non-dissolved redox mediators (RM, quinones) with similar chemical structure. The decolorization efficiencies of acid red B by a Halomonas sp. GYW were enhanced 2.68, 2.58, 1.91 and 1.49 times with 1,5-dichloroanthraquinone, 1,8-dichloroanthraquinone, anthraquinone, and 1,4,5,8-tetrachloroanthraquinone, respectively. The order of oxidation reduction potential (ORP) during the decolorization process with four redox mediators agreed with their order of reduction potential (Ea) from cyclic voltammetry. The decolorization rate (k) with four redox mediators has a linear relation with their Ea values (k=269.05Ea+85.782, R2=0.9226). The calculated ρ(rc) at the Ring Critical Point (RCP) based on Atoms in Molecules (AIM) and the inductive/resonance effects of the four redox mediators were also consistent with the accelerating effects on the decolorization. These established relationships might to be predictive models and mechanistic explanations for the accelerating decolorization with redox mediator.