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@article{1862217,
author = {Sigmund, Gabriel and Arp, Hans Peter H. and Aumeier, Benedikt M. and Bucheli, Thomas D. and Chefetz, Benny and Chen, Wei and Droge, Steven T. J. and Endo, Satoshi and Escher, Beate I. and Hale, Sarah E. and Hofmann, Thilo and Pignatello, Joseph and Reemtsma, Thorsten and Schmidt, Torsten C. and Schonsee, Carina D. and Scheringer, Martin},
article_location = {WASHINGTON},
article_number = {8},
doi = {http://dx.doi.org/10.1021/acs.est.2c00570},
keywords = {ionizable organic compound; anion; cation; zwitterion; sorption model; environmental risk assessment; contaminant fate},
language = {eng},
issn = {0013-936X},
journal = {ENVIRONMENTAL SCIENCE & TECHNOLOGY},
title = {Sorption and Mobility of Charged Organic Compounds: How to Confront and Overcome Limitations in Their Assessment br},
url = {https://pubs.acs.org/doi/10.1021/acs.est.2c00570},
volume = {56},
year = {2022}
}
TY - JOUR
ID - 1862217
AU - Sigmund, Gabriel - Arp, Hans Peter H. - Aumeier, Benedikt M. - Bucheli, Thomas D. - Chefetz, Benny - Chen, Wei - Droge, Steven T. J. - Endo, Satoshi - Escher, Beate I. - Hale, Sarah E. - Hofmann, Thilo - Pignatello, Joseph - Reemtsma, Thorsten - Schmidt, Torsten C. - Schonsee, Carina D. - Scheringer, Martin
PY - 2022
TI - Sorption and Mobility of Charged Organic Compounds: How to Confront and Overcome Limitations in Their Assessment br
JF - ENVIRONMENTAL SCIENCE & TECHNOLOGY
VL - 56
IS - 8
SP - 4702-4710
EP - 4702-4710
PB - AMER CHEMICAL SOC
SN - 0013936X
KW - ionizable organic compound
KW - anion
KW - cation
KW - zwitterion
KW - sorption model
KW - environmental risk assessment
KW - contaminant fate
UR - https://pubs.acs.org/doi/10.1021/acs.est.2c00570
N2 - Permanently charged and ionizable organic com-pounds (IOC) are a large and diverse group of compoundsbelonging to many contaminant classes, including pharmaceuticals,pesticides, industrial chemicals, and natural toxins. Sorption andmobility of IOCs are distinctively different from those of neutralcompounds. Due to electrostatic interactions with natural sorbents,existing concepts for describing neutral organic contaminantsorption, and by extension mobility, are inadequate for IOC.Predictive models developed for neutral compounds are based onoctanol-water partitioning of compounds (Kow) and organic-carbon content of soil/sediment, which is used to normalizesorption measurements (KOC). We revisit those concepts and theirtranslation to IOC (DowandDOC) and discuss compound and soilproperties determining sorption of IOC under water saturatedconditions. Highlighting possible complementary and/or alternative approaches to better assess IOC mobility, we discussimplications on their regulation and risk assessment. The development of better models for IOC mobility needs consistent andreliable sorption measurements at well-defined chemical conditions in natural porewater, better IOC-, as well as sorbentcharacterization. Such models should be complemented by monitoring data from the natural environment. The state of knowledgepresented here may guide urgently needed future investigations in thisfield for researchers, engineers, and regulators.
ER -
SIGMUND, Gabriel, Hans Peter H. ARP, Benedikt M. AUMEIER, Thomas D. BUCHELI, Benny CHEFETZ, Wei CHEN, Steven T. J. DROGE, Satoshi ENDO, Beate I. ESCHER, Sarah E. HALE, Thilo HOFMANN, Joseph PIGNATELLO, Thorsten REEMTSMA, Torsten C. SCHMIDT, Carina D. SCHONSEE and Martin SCHERINGER. Sorption and Mobility of Charged Organic Compounds: How to Confront and Overcome Limitations in Their Assessment br. \textit{ENVIRONMENTAL SCIENCE \&{}amp; TECHNOLOGY}. WASHINGTON: AMER CHEMICAL SOC, 2022, vol.~56, No~8, p.~4702-4710. ISSN~0013-936X. Available from: https://dx.doi.org/10.1021/acs.est.2c00570.
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