Identification of extracellular polymeric substances layer barrier in chloroquine phosphate-disturbed anammox consortia and mechanism dissection on cytotoxic behavior by computational chemistry

The over-dosing use of chloroquine phosphate (CQ) poses severe threats to human beings and ecosystem due to the high persistence and biotoxicity. The discharge of CQ into wastewater would affect the biomass activity and process stability during the biological processes, e.g., anammox. However, the r...

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Bibliographic Details
Published in:Journal of hazardous materials 2024-06, Vol.471, p.134335-134335, Article 134335
Main Authors: Hu, Rui, Chen, Xue, Xia, Mengting, Chen, Bin, Lu, Xueqin, Luo, Gang, Zhang, Shicheng, Zhen, Guangyin
Format: Article
Language:English
Subjects:
Anammox
Bacteria - drug effects
Bacteria - metabolism
Chloroquine - metabolism
Chloroquine - pharmacology
Computational chemistry
CQ fate
Cytotoxic behavior, microbiota reshape
EPS configuration
Extracellular Polymeric Substance Matrix - chemistry
Extracellular Polymeric Substance Matrix - metabolism
Microbial Consortia - drug effects
Wastewater - chemistry
Water Pollutants, Chemical - chemistry
Water Pollutants, Chemical - metabolism
Water Pollutants, Chemical - toxicity
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Summary:The over-dosing use of chloroquine phosphate (CQ) poses severe threats to human beings and ecosystem due to the high persistence and biotoxicity. The discharge of CQ into wastewater would affect the biomass activity and process stability during the biological processes, e.g., anammox. However, the response mechanism of anammox consortia to CQ remain unknown. In this study, the accurate role of extracellular polymeric substances barrier in attenuating the negative effects of CQ, and the mechanism on cytotoxic behavior were dissected by molecular spectroscopy and computational chemistry. Low concentrations (≤6.0 mg/L) of CQ hardly affected the nitrogen removal performance due to the adaptive evolution of EPS barrier and anammox bacteria. Compact protein of EPS barrier can bind more CQ (0.24 mg) by hydrogen bond and van der Waals force, among which O-H and amide II region respond CQ binding preferentially. Importantly, EPS contributes to the microbiota reshape with selectively enriching Candidatus_Kuenenia for self-protection. Furthermore, the macroscopical cytotoxic behavior was dissected at a molecular level by CQ fate/distribution and computational chemistry, suggesting that the toxicity was ascribed to attack of CQ on functional proteins of anammox bacteria with atom N17 (f–=0.1209) and C2 (f+=0.1034) as the most active electrophilic and nucleophilic sites. This work would shed the light on the fate and risk of non-antibiotics in anammox process. [Display omitted] •Fate and distribution of chloroquine phosphate (CQ) in anammox were deciphered.•EPS configuration change and binding mechanism between EPS and CQ were unraveled.•Antioxidation defense mechanism of anammox bacteria to CQ was dissected.•EPS conduced to selectively enrich Candidatus Kuenenia for microbiota reshape.•Molecular mechanism on attack behavior of CQ to intracellular protein was revealed.
ISSN:0304-3894
1873-3336
DOI:10.1016/j.jhazmat.2024.134335