Sorption and Mobility of Charged Organic Compounds: How to Confront and Overcome Limitations in Their Assessment br

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Authors

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

Year of publication 2022
Type Article in Periodical
Magazine / Source ENVIRONMENTAL SCIENCE & TECHNOLOGY
MU Faculty or unit

Faculty of Science

Citation
Web https://pubs.acs.org/doi/10.1021/acs.est.2c00570
Doi http://dx.doi.org/10.1021/acs.est.2c00570
Keywords ionizable organic compound; anion; cation; zwitterion; sorption model; environmental risk assessment; contaminant fate
Description 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.
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