title: The structure activity relationship of non-dissolved redox mediators during azo dye bio-decolorization processes.
abstract: 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, R(2)=0.9226). The calculated ρ(r(c)) 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.
authors.affiliation: State Key Laboratory of Environmental Aquatic Chemistry, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085, China.
authors.forename: Jianbo
authors.initials: J
authors.lastname: Guo
authors.forename: Huijuan
authors.initials: H
authors.lastname: Liu
authors.forename: Jiuhui
authors.initials: J
authors.lastname: Qu
authors.forename: Jing
authors.initials: J
authors.lastname: Lian
authors.forename: Lijun
authors.initials: L
authors.lastname: Zhao
authors.forename: William
authors.initials: W
authors.lastname: Jefferson
authors.forename: Jingliang
authors.initials: J
authors.lastname: Yang
mesh_terms: D001391:Azo Compounds / Q000302:isolation & purification*; D001673:Biodegradation, Environmental; D003116:Color; D004396:Coloring Agents / Q000302:isolation & purification*; D055664:Electrochemical Techniques; D052918:Environmental Restoration and Remediation / Q000379:methods*; D020632:Halomonas / Q000378:metabolism; D009282:Naphthalenesulfonates / Q000302:isolation & purification; D010084:Oxidation-Reduction; D010100:Oxygen / Q000032:analysis; D011809:Quinones / Q000737:chemistry* / Q000378:metabolism*; D012995:Solubility; D013329:Structure-Activity Relationship
chemical_list: D001391:Azo Compounds; D004396:Coloring Agents; D009282:Naphthalenesulfonates; D011809:Quinones; C521611:acid red B; D010100:Oxygen