Degradation of the anticancer drug erlotinib during water chlorination: Non-targeted approach for the identiﬁcation of transformation products

Negreira, Noelia; Regueiro, Jorge; Alda, Miren López de; Barceló, Damià

doi:10.1016/j.watres.2015.08.005

Cited by 41 publications

(10 citation statements)

References 32 publications

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“…From this ion, two further competitive fragmentation routes were identified. One of them involved the abstraction of HCN to generate a cation with empirical formula C 13 Even after obtaining the above product ion scan spectrum, assigning a chemical structure to compound C331 turned a challenging issue. The high-resolution MS databases Massbank (http:// massbank.ufz.de/MassBank) and Metlin (https://metlin.scripps.edu) did not contain any input (neither MS nor MS/MS spectra) for the empirical formula assigned to this compound.…”

Section: Resultsmentioning

confidence: 99%

“…chlorine and bromine) can be easily detected and classified as synthesis compounds and then, as potential pollutants. After generating the most probable empirical formulae for these compounds, their accurate product ion scan spectra provide valuable clues for structure elucidation with, or without, the aid of dedicated software tools, e.g. Metfrag (http://msbi.ipb-halle.de/MetFrag/) and HR database of MS and MS/MS spectra.…”

Section: Introductionmentioning

confidence: 99%

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Liquid chromatography quadrupole time‐of‐flight mass spectrometry identification and determination of tri‐ and hexaaryl chloro imidazoles in sewage sludge

et al. 2017

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The identification and further quantification of 2-chloro-triarylimidazole (o-Cl-TAI) and its dimer (o-DCl-HABI) in sludge from a sewage treatment plant (STP) is reported for the first time. Liquid chromatography (LC) quadrupole time-of-flight (QTOF) mass spectrometry (MS) was used as analytical technique during screening and determination steps. Pollutants were identified following a post-run search strategy, applying the chlorine mass filter, and characterized by their accurate MS and product ion scan spectra. Finally, their identities were confirmed with authentic standards. The species (o-Cl-TAI) has been rated as potentially genotoxic and carcinogenic for mice and rats. Effects of sample preparation in the stability and the extraction efficiency of both compounds are discussed. Under final conditions, they were extracted from freeze-dried samples (0.5 g of sludge or biosolids dispersed with 2 g of C and packed into a polypropylene syringe) with 20 ml of methanol, which also flowed through a clean-up layer of Florisil and PSA sorbents (0.5 g each). This method attained quantitative extraction yields and limits of quantification between 4 and 10 ng/g. The pollutants o-Cl-TAI and o-DCl-HABI were ubiquitous in sludge and biosolids obtained in consecutive years from the investigated STP. Their concentrations varied from 0.02 to more than 13 μg/g (freeze-dried sample). Copyright © 2016 John Wiley & Sons, Ltd.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Liquid chromatography quadrupole time‐of‐flight mass spectrometry identification and determination of tri‐ and hexaaryl chloro imidazoles in sewage sludge

et al. 2017

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“…The reactivity of the cytostatic drug erlotinib in free chlorine-containing water was investigated by Negreira et al (2015) to investigate potential for formation of chlorinated transformation products, with an enhanced toxicity relative to the parent compound. Among the detected transformation products, six compounds presented chlorine atoms in their structures, which may be of toxicological concern.…”

Section: Harknessmentioning

confidence: 99%

Fate of Environmental Pollutants

Padhye

2016

Water Environment Research

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This annual review covers the literature published in 2015 on topics related to the occurrence and fate of emerging environmental pollutants in wastewater. Due to the vast amount of literature published on this topic, I have discussed only a fraction of the quality research publications, up to maximum 20 relevant articles per section, due to limitation of space. The abstract search was carried out using Web of Science, and the abstracts were selected based on their relevance. In few cases, full-text articles were referred to better understand new findings. This review is divided into the following sections: biological agents, disinfection by-products (DBPs), halogenated compounds, pharmaceuticals and personal care products (PPCPs), and other emerging contaminants.

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“…First, not enough data is available on the DBPs formed from structurally similar chemicals to directly assess whether structurally similar chemicals react with free chlorine in analogous ways. Second, studies aimed at elucidating DBPs of anthropogenic chemicals rarely employ emerging analytical techniques that can comprehensively identify candidate DBPs in a nontargeted way (Gervais et al, 2011;Gulde et al, 2016;Helbling et al, 2010;Negreira et al, 2015). As a result, the full spectrum of DBPs that may form in reactions with free chlorine is mostly unknown which limits our understanding of possible free chlorination reactions.…”

Section: Introductionmentioning

confidence: 99%

A non-target approach to identify disinfection byproducts of structurally similar sulfonamide antibiotics

Wang

Helbling

2016

Water Research

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Degradation of the anticancer drug erlotinib during water chlorination: Non-targeted approach for the identiﬁcation of transformation products

Cited by 41 publications

References 32 publications

Liquid chromatography quadrupole time‐of‐flight mass spectrometry identification and determination of tri‐ and hexaaryl chloro imidazoles in sewage sludge

Liquid chromatography quadrupole time‐of‐flight mass spectrometry identification and determination of tri‐ and hexaaryl chloro imidazoles in sewage sludge

Fate of Environmental Pollutants

A non-target approach to identify disinfection byproducts of structurally similar sulfonamide antibiotics

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