TY - JOUR
T1 - Unraveling the chemodiversity of halogenated disinfection by-products formed during drinking water treatment using target and non-target screening tools
AU - Postigo, Cristina
AU - Andersson, Anna
AU - Harir, Mourad
AU - Bastviken, David
AU - Gonsior, Michael
AU - Schmitt-Kopplin, Philippe
AU - Gago-Ferrero, Pablo
AU - Ahrens, Lisa
AU - Ahrens, Lutz
AU - Wiberg, Karin
N1 - Publisher Copyright:
© 2020 Elsevier B.V.
PY - 2021/1/5
Y1 - 2021/1/5
N2 - To date, there is no analytical approach available that allows the full identification and characterization of highly complex disinfection by-product (DBP) mixtures. This study aimed at investigating the chemodiversity of drinking water halogenated DBPs using diverse analytical tools: measurement of adsorbable organic halogen (AOX) and mass spectrometry (MS)-based target and non-target analytical workflows. Water was sampled before and after chemical disinfection (chlorine or chloramine) at four drinking water treatment plants in Sweden. The target analysis had the highest sensitivity, although it could only partially explain the AOX formed in the disinfected waters. Non-target Fourier transform ion cyclotron resonance (FT-ICR) MS analysis indicated that only up to 19 Cl and/or Br-CHO formulae were common to all disinfected waters. Unexpectedly, a high diversity of halogenated DBPs (presumed halogenated polyphenolic and highly unsaturated compounds) was found in chloraminated surface water, comparable to that found in chlorinated surface water. Overall, up to 86 DBPs (including isobaric species) were tentatively identified using liquid chromatography (LC)-Orbitrap MS. Although further work is needed to confirm their identity and assess their relevance in terms of toxicity, they can be used to design suspect lists to improve the characterization of disinfected water halogenated mixtures.
AB - To date, there is no analytical approach available that allows the full identification and characterization of highly complex disinfection by-product (DBP) mixtures. This study aimed at investigating the chemodiversity of drinking water halogenated DBPs using diverse analytical tools: measurement of adsorbable organic halogen (AOX) and mass spectrometry (MS)-based target and non-target analytical workflows. Water was sampled before and after chemical disinfection (chlorine or chloramine) at four drinking water treatment plants in Sweden. The target analysis had the highest sensitivity, although it could only partially explain the AOX formed in the disinfected waters. Non-target Fourier transform ion cyclotron resonance (FT-ICR) MS analysis indicated that only up to 19 Cl and/or Br-CHO formulae were common to all disinfected waters. Unexpectedly, a high diversity of halogenated DBPs (presumed halogenated polyphenolic and highly unsaturated compounds) was found in chloraminated surface water, comparable to that found in chlorinated surface water. Overall, up to 86 DBPs (including isobaric species) were tentatively identified using liquid chromatography (LC)-Orbitrap MS. Although further work is needed to confirm their identity and assess their relevance in terms of toxicity, they can be used to design suspect lists to improve the characterization of disinfected water halogenated mixtures.
KW - DBP structure elucidation
KW - chemical disinfection of water
KW - chemical mixtures
KW - compound identification workflow
KW - non-target mass spectrometry analysis
UR - http://www.scopus.com/inward/record.url?scp=85090189244&partnerID=8YFLogxK
U2 - 10.1016/j.jhazmat.2020.123681
DO - 10.1016/j.jhazmat.2020.123681
M3 - Article
C2 - 33113720
AN - SCOPUS:85090189244
SN - 0304-3894
VL - 401
JO - Journal of Hazardous Materials
JF - Journal of Hazardous Materials
M1 - 123681
ER -