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Characterization of Ozonation Transformation Products of Flutamide and Azathioprine by UHPLC-Ion Mobility-High-Resolution Mass Spectrometry

García-Martínez, Josep LU ; Corpa, Cristina LU ; Nieto, Guillermo ; Monte, María Concepción ; Soldán, Přemysl ; Blanco, Ángeles and Spégel, Peter LU (2026) In ACS ES and T Water
Abstract
Ozonation is one of the most promising advanced oxidation processes to be implemented as quaternary treatment for the removal of micropollutants in wastewater treatment plants. However, there are some knowledge gaps that limit its implementation. First, the removal efficiency is not known for all pollutants, and second, knowledge about degradation byproducts is limited, as well as the toxicity of the treated waters. In this work, the removal efficiency of azathioprine and flutamide is studied, as well as the transformation products formed during ozonation. A lab-scale reactor was used for ozonation of the drugs in pure water, with ambient air as the source for ozone generation and liquid chromatography–ion mobility-high-resolution mass... (More)
Ozonation is one of the most promising advanced oxidation processes to be implemented as quaternary treatment for the removal of micropollutants in wastewater treatment plants. However, there are some knowledge gaps that limit its implementation. First, the removal efficiency is not known for all pollutants, and second, knowledge about degradation byproducts is limited, as well as the toxicity of the treated waters. In this work, the removal efficiency of azathioprine and flutamide is studied, as well as the transformation products formed during ozonation. A lab-scale reactor was used for ozonation of the drugs in pure water, with ambient air as the source for ozone generation and liquid chromatography–ion mobility-high-resolution mass spectrometry for time-resolved process monitoring. Notably, azathioprine and flutamide were not completely removed by ozonation, with 49–54% remaining after the treatment. Furthermore, two transformation products of azathioprine and three of flutamide were identified, including previously unreported nitroaromatic transformation products of flutamide. While both parent compounds showed relatively low predicted toxicity, transformation products of flutamide exhibited higher predicted chronic toxicity. These results highlight the importance of considering transformation products during ozonation and suggest possible nitration reactions when ozone is generated from ambient air. Further experiments are needed to confirm this. (Less)
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author
; ; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
epub
subject
keywords
Ozonation, Anticancer drugs, transformation products, Non-target analysis, Toxicity
in
ACS ES and T Water
publisher
The American Chemical Society (ACS)
ISSN
2690-0637
DOI
10.1021/acsestwater.5c01314
language
English
LU publication?
yes
id
2cc1e267-1245-4fac-b5ce-7ab7ebe0e522
date added to LUP
2026-03-27 11:41:36
date last changed
2026-04-07 10:53:43
@article{2cc1e267-1245-4fac-b5ce-7ab7ebe0e522,
  abstract     = {{Ozonation is one of the most promising advanced oxidation processes to be implemented as quaternary treatment for the removal of micropollutants in wastewater treatment plants. However, there are some knowledge gaps that limit its implementation. First, the removal efficiency is not known for all pollutants, and second, knowledge about degradation byproducts is limited, as well as the toxicity of the treated waters. In this work, the removal efficiency of azathioprine and flutamide is studied, as well as the transformation products formed during ozonation. A lab-scale reactor was used for ozonation of the drugs in pure water, with ambient air as the source for ozone generation and liquid chromatography–ion mobility-high-resolution mass spectrometry for time-resolved process monitoring. Notably, azathioprine and flutamide were not completely removed by ozonation, with 49–54% remaining after the treatment. Furthermore, two transformation products of azathioprine and three of flutamide were identified, including previously unreported nitroaromatic transformation products of flutamide. While both parent compounds showed relatively low predicted toxicity, transformation products of flutamide exhibited higher predicted chronic toxicity. These results highlight the importance of considering transformation products during ozonation and suggest possible nitration reactions when ozone is generated from ambient air. Further experiments are needed to confirm this.}},
  author       = {{García-Martínez, Josep and Corpa, Cristina and Nieto, Guillermo and Monte, María Concepción and Soldán, Přemysl and Blanco, Ángeles and Spégel, Peter}},
  issn         = {{2690-0637}},
  keywords     = {{Ozonation; Anticancer drugs; transformation products; Non-target analysis; Toxicity}},
  language     = {{eng}},
  month        = {{03}},
  publisher    = {{The American Chemical Society (ACS)}},
  series       = {{ACS ES and T Water}},
  title        = {{Characterization of Ozonation Transformation Products of Flutamide and Azathioprine by UHPLC-Ion Mobility-High-Resolution Mass Spectrometry}},
  url          = {{http://dx.doi.org/10.1021/acsestwater.5c01314}},
  doi          = {{10.1021/acsestwater.5c01314}},
  year         = {{2026}},
}