DOI: 10.1016/j.watres.2017.11.033
Scopus记录号: 2-s2.0-85034425176
论文题名: Identification of mutagenic transformation products generated during oxidation of 3-methyl-4-nitrophenol solutions by orbitrap tandem mass spectrometry and quantitative structure–activity relationship analyses
作者: Matsushita T. ; Honda S. ; Kuriyama T. ; Fujita Y. ; Kondo T. ; Matsui Y. ; Shirasaki N. ; Takanashi H. ; Kameya T.
刊名: Water Research
ISSN: 431354
出版年: 2018
卷: 129 起始页码: 347
结束页码: 356
语种: 英语
英文关键词: Advanced oxidation process
; Ames assay
; Chlorination
; Fenitrothion
; Ozonation
; Toxicity
Scopus关键词: Assays
; Chlorination
; Degradation
; Insecticides
; Liquid chromatography
; Mass spectrometry
; Mutagenesis
; Mutagens
; Oxidation
; Ozone
; Ozonization
; Regression analysis
; Toxicity
; Activity relationship analysis
; Advanced Oxidation Processes
; Ames assay
; Fenitrothion
; Organophosphorus insecticides
; Simple regression analysis
; Tandem mass spectrometry
; Transformation products
; Computational chemistry
; 2 [[(2,5 dihydroxyphenyl)methylidene]amino] 5 dihydroxybenzaldehyde
; 3 methoxy 4 nitrophenol
; benzaldehyde derivative
; drinking water
; fenitrothion
; methyl group
; mutagenic agent
; nitrophenol
; ozone
; phenyl group
; unclassified drug
; 4-nitro-3-cresol
; cresol
; hydrogen peroxide
; mutagenic agent
; oxidizing agent
; ozone
; assay
; chemical analysis
; chemical compound
; chlorination
; degradation
; environmental degradation
; insecticide
; mass spectrometry
; mutagenicity
; ozonation
; toxicity
; transformation
; Ames test
; Article
; chemical structure
; chlorination
; concentration (parameters)
; decomposition
; degradation
; derivatization
; liquid chromatography
; metabolic activation
; mutagenicity
; nonhuman
; oxidation
; ozonation
; priority journal
; quantitative structure activity relation
; revertant
; Salmonella
; solution and solubility
; tandem mass spectrometry
; ultraviolet irradiation
; water sampling
; chemistry
; halogenation
; liquid chromatography
; mutagen testing
; oxidation reduction reaction
; procedures
; quantitative structure activity relation
; radiation response
; tandem mass spectrometry
; ultraviolet radiation
; water management
; Chromatography, Liquid
; Cresols
; Halogenation
; Hydrogen Peroxide
; Mutagenicity Tests
; Mutagens
; Oxidants
; Oxidation-Reduction
; Ozone
; Quantitative Structure-Activity Relationship
; Tandem Mass Spectrometry
; Ultraviolet Rays
; Water Purification
英文摘要: We used Ames assays to investigate the effects of ozonation (designated O3), ozonation followed by chlorination (O3/Cl), an advanced oxidation process (AOP, UV/H2O2), and AOP followed by chlorination (AOP/Cl) on the mutagenicity of solutions of 3-methyl-4-nitrophenol (3M4NP), a major environmental degradation product of the organophosphorus insecticide fenitrothion. Whereas O3 did not induce mutagenicity, O3/Cl, AOP, and AOP/Cl converted 3M4NP into mutagenic transformation products (TPs). Using liquid chromatography–mass spectrometry, we detected a total of 138 peaks in the solutions subjected to O3/Cl, AOP, and AOP/Cl. To elucidate the TPs responsible for the observed mutagenicity, we performed simple regression analyses of the relationship between the area of each peak and the observed mutagenicity of samples withdrawn periodically during each oxidation process. The area of each of 10 peaks was found to be positively correlated (r2 ≥ 0.8) with the observed mutagenicity, suggesting that the TPs corresponding to these peaks contributed to the mutagenicity. After taking into account the consistency of mutagenicity induction by the oxidation processes and analyzing the peaks by tandem mass spectrometry, we identified 3 TPs, corresponding to 6 peaks, as candidate mutagens. These TPs were assessed by means of 4 quantitative structure–activity relationship (QSAR) models, and all 3 were predicted to be mutagenic by at least one model. This result was consistent with our assumption that these TPs were mutagens. Ames assays of an authentic sample of one of the 3 TPs revealed that it did not contribute to the mutagenicity. This left 3-methoxy-4-nitrophenol and 2-[(E)-[(2,5-dihydroxyphenyl) methylidene]amino]-5-dihydroxybenzaldehyde on the list of mutagens suspected of contributing to the mutagenicity induced by AOP. No TPs were identified as candidate mutagens responsible for the mutagenicity induced by O3/Cl and AOP/Cl. © 2017 Elsevier Ltd Citation statistics:
资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/113105
Appears in Collections: 气候减缓与适应
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作者单位: Faculty of Engineering, Hokkaido University, N13W8, Sapporo, 060-8628, Japan; Graduate School of Engineering, Hokkaido University, N13W8, Sapporo, 060-8628, Japan; Faculty of Science and Engineering, Kagoshima University, 1-21-40 Korimoto, Kagoshima, 890-0065, Japan; Faculty of Environment and Information Sciences, Yokohama National University, 79-7 Tokiwadai, Hodogaya, Yokohama, 240-8501, Japan
Recommended Citation:
Matsushita T.,Honda S.,Kuriyama T.,et al. Identification of mutagenic transformation products generated during oxidation of 3-methyl-4-nitrophenol solutions by orbitrap tandem mass spectrometry and quantitative structure–activity relationship analyses[J]. Water Research,2018-01-01,129