Identification of disinfection by-products (DBP) in thermal water swimming pools applying non-target screening by LC-/GC-HRMS

Usman, Muhammad; Kuckelkorn, Jochen; Kämpfe, Alexander; Zwiener, Christian; Wintgens, Thomas; Linnemann, Volker

doi:10.1016/j.jhazmat.2023.130981

Cited by 15 publications

(3 citation statements)

References 61 publications

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“…22 Br-DBPs in the samples before and aer disinfection were separated and enriched using SPE, and then screened using the developed UPLC-Q-tof/MS protocol. [23][24][25] The results are listed in Table S5. † More Br-DBPs were screened in the reservoir and aquaculture water compared to river and lake water.…”

Section: Identication the Main Br-dbps In Actual Water Samplesmentioning

confidence: 99%

Analysis of brominide disinfection by-products (DBPs) in aquaculture water using ultra-high performance liquid chromatography-quadrupole-time of flight mass spectrometry (UPLC-Q-tof/MS)

Yang,

Zhang,

Huang

et al. 2024

Anal. Methods

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Section: Identication the Main Br-dbps In Actual Water Samplesmentioning

confidence: 99%

Analysis of brominide disinfection by-products (DBPs) in aquaculture water using ultra-high performance liquid chromatography-quadrupole-time of flight mass spectrometry (UPLC-Q-tof/MS)

Yang,

Zhang,

Huang

et al. 2024

Anal. Methods

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“…In this regard, the combinations of both gas and liquid chromatography with highresolution mass spectrometry (GC-HRMS and HPLC-HRMS) have significant advantages in the comprehensive characterization of the chemical composition of DBPs. This approach has successfully proven itself in the study of processes occurring during the disinfection of drinking water and wastewater, as well as swimming pool water [22,[28][29][30][31][32][33][34]. Thus, the purpose of this study was to reveal main degradation pathways and characterize in detail both the primary (intermediate) and final disinfection byproducts formed under the conditions of aqueous chlorination of bromhexine and ambroxol.…”

Section: Introductionmentioning

confidence: 99%

Mucolytic Drugs Ambroxol and Bromhexine: Transformation under Aqueous Chlorination Conditions

Sypalov,

Varsegov,

Ulyanovskii

et al. 2024

IJMS

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Bromhexine and ambroxol are among the mucolytic drugs most widely used to treat acute and chronic respiratory diseases. Entering the municipal wastewater and undergoing transformations during disinfection with active chlorine, these compounds can produce nitrogen- and bromine-containing disinfection by-products (DBPs) that are dangerous for aquatic ecosystems. In the present study, primary and deep degradation products of ambroxol and bromhexine obtained in model aquatic chlorination experiments were studied via the combination of high-performance liquid and gas chromatography with high-resolution mass spectrometry. It was shown that at the initial stages, the reactions of cyclization, hydroxylation, chlorination, electrophilic ipso-substitution of bromine atoms with chlorine, and oxidative N-dealkylation occur. Along with known metabolites, a number of novel primary DBPs were tentatively identified based on their elemental compositions and tandem mass spectra. Deep degradation of bromhexine and ambroxol gives twenty-four identified volatile and semi-volatile compounds of six classes, among which trihalomethanes account for more than 50%. The specific class of bromhexine- and ambroxol-related DBPs are bromine-containing haloanilines. Seven of them, including methoxy derivatives, were first discovered in the present study. One more novel class of DBPs associated with bromhexine and ambroxol is represented by halogenated indazoles formed through dealkylation of the primary transformation products containing pyrazoline or tetrahydropyrimidine cycle in their structure.

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“…Appropriate analytical techniques are crucial to simultaneously identify ECs, EC-transformed products, and aromatic DBPs in real DWDSs. The development of quadruple time-of-flight mass spectrometry (QTOF-MS) has facilitated the use of suspect and nontargeted screening protocols for micropollutant identification. − MS analyzers coupled with liquid chromatography (LC–MS) are particularly suitable for analyzing ECs and aromatic DBPs as they are soluble and polar. In terms of postacquisition data processing, mass spectrometric data sets (including MS and MS/MS data) are matched against a suspect list originating from in-house libraries or mass spectral libraries such as mzClound, European MassBank, and MassBank of North America .…”

Section: Introductionmentioning

confidence: 99%

Suspect and Nontarget Screening of Coexisting Emerging Contaminants and Aromatic Halogenated Disinfection Byproducts in Drinking Water Distribution Systems

Gao,

Wang,

Long

et al. 2024

ACS EST Water

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Emerging contaminants (ECs) are increasingly discharged into the aquatic environment and cannot be removed by conventional water treatment processes. The detection of various disinfection byproducts (DBPs) originating from ECs as possible precursors is challenging. Herein, liquid chromatography coupled with time-of-flight mass spectrometry was used for the suspect and nontarget screening of ECs and DBPs simultaneously in the effluent of drinking water treatment plants and distribution systems. Forty-one ECs and 27 DBPs were identified, corresponding to different confidence levels (1−3). Pesticides, pharmaceuticals, and personal care products accounted for approximately 63% of the ECs. Halophenols and halonitrophenols were the predominant categories of aromatic DBPs. Three EC species [4-nitrophenol, 3-methyl-4-nitrophenol, and enrofloxacin] and their confirmed DBPs [2,6dichloro-4-nitrophenol, 2-bromo-6-chloro-4-nitrophenol, 2,6-dibromo-4-nitrophenol, 2-bromo-4-nitrophenol, and 3-chloro-5-(chloromethyl)-4-nitrophenol] were simultaneously detected in the drinking water distribution system. The intensity of aromatic DBPs initially increased and then decreased with transportation in branched drinking water distribution systems, consistent with the quantification results. Thus, the transportation process in drinking water distribution systems impacts DBP formation.

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Identification of disinfection by-products (DBP) in thermal water swimming pools applying non-target screening by LC-/GC-HRMS

Cited by 15 publications

References 61 publications

Analysis of brominide disinfection by-products (DBPs) in aquaculture water using ultra-high performance liquid chromatography-quadrupole-time of flight mass spectrometry (UPLC-Q-tof/MS)

Analysis of brominide disinfection by-products (DBPs) in aquaculture water using ultra-high performance liquid chromatography-quadrupole-time of flight mass spectrometry (UPLC-Q-tof/MS)

Mucolytic Drugs Ambroxol and Bromhexine: Transformation under Aqueous Chlorination Conditions

Suspect and Nontarget Screening of Coexisting Emerging Contaminants and Aromatic Halogenated Disinfection Byproducts in Drinking Water Distribution Systems

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