TY - JOUR
T1 - Sorption and Mobility of Charged Organic Compounds
T2 - How to Confront and Overcome Limitations in Their Assessment
AU - Sigmund, Gabriel
AU - Arp, Hans Peter H.
AU - Aumeier, Benedikt M.
AU - Bucheli, Thomas D.
AU - Chefetz, Benny
AU - Chen, Wei
AU - Droge, Steven T.J.
AU - Endo, Satoshi
AU - Escher, Beate I.
AU - Hale, Sarah E.
AU - Hofmann, Thilo
AU - Pignatello, Joseph
AU - Reemtsma, Thorsten
AU - Schmidt, Torsten C.
AU - Schönsee, Carina D.
AU - Scheringer, Martin
N1 - Publisher Copyright:
© 2022 American Chemical Society. All rights reserved.
PY - 2022/4/19
Y1 - 2022/4/19
N2 - Permanently charged and ionizable organic compounds (IOC) are a large and diverse group of compounds belonging to many contaminant classes, including pharmaceuticals, pesticides, industrial chemicals, and natural toxins. Sorption and mobility of IOCs are distinctively different from those of neutral compounds. Due to electrostatic interactions with natural sorbents, existing concepts for describing neutral organic contaminant sorption, and by extension mobility, are inadequate for IOC. Predictive models developed for neutral compounds are based on octanol-water partitioning of compounds (Kow) and organic-carbon content of soil/sediment, which is used to normalize sorption measurements (KOC). We revisit those concepts and their translation to IOC (Dowand DOC) and discuss compound and soil properties determining sorption of IOC under water saturated conditions. Highlighting possible complementary and/or alternative approaches to better assess IOC mobility, we discuss implications on their regulation and risk assessment. The development of better models for IOC mobility needs consistent and reliable sorption measurements at well-defined chemical conditions in natural porewater, better IOC-, as well as sorbent characterization. Such models should be complemented by monitoring data from the natural environment. The state of knowledge presented here may guide urgently needed future investigations in this field for researchers, engineers, and regulators.
AB - Permanently charged and ionizable organic compounds (IOC) are a large and diverse group of compounds belonging to many contaminant classes, including pharmaceuticals, pesticides, industrial chemicals, and natural toxins. Sorption and mobility of IOCs are distinctively different from those of neutral compounds. Due to electrostatic interactions with natural sorbents, existing concepts for describing neutral organic contaminant sorption, and by extension mobility, are inadequate for IOC. Predictive models developed for neutral compounds are based on octanol-water partitioning of compounds (Kow) and organic-carbon content of soil/sediment, which is used to normalize sorption measurements (KOC). We revisit those concepts and their translation to IOC (Dowand DOC) and discuss compound and soil properties determining sorption of IOC under water saturated conditions. Highlighting possible complementary and/or alternative approaches to better assess IOC mobility, we discuss implications on their regulation and risk assessment. The development of better models for IOC mobility needs consistent and reliable sorption measurements at well-defined chemical conditions in natural porewater, better IOC-, as well as sorbent characterization. Such models should be complemented by monitoring data from the natural environment. The state of knowledge presented here may guide urgently needed future investigations in this field for researchers, engineers, and regulators.
KW - anion
KW - cation
KW - contaminant fate
KW - environmental risk assessment
KW - ionizable organic compound
KW - sorption model
KW - zwitterion
UR - http://www.scopus.com/inward/record.url?scp=85127956487&partnerID=8YFLogxK
U2 - 10.1021/acs.est.2c00570
DO - 10.1021/acs.est.2c00570
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C2 - 35353522
AN - SCOPUS:85127956487
SN - 0013-936X
VL - 56
SP - 4702
EP - 4710
JO - Environmental Science and Technology
JF - Environmental Science and Technology
IS - 8
ER -