Partition coefficients of four perfluoroalkyl acid alternatives between bovine serum albumin (BSA) and water in comparison to ten classical perfluoroalkyl acids

Allendorf, Flora; Berger, Urs; Goss, Kai‐Uwe; Ulrich, Nadin

doi:10.1039/c9em00290a

Cited by 40 publications

(75 citation statements)

References 66 publications

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“…we could show for their sorption behavior to proteins and membrane lipids (Allendorf et al 2019;Ebert et al 2020). Substantial differences in the accumulation in different species and even different sex within one species increase the already high complexity of the behavior of these compounds (Han et al 2012).…”

Section: Accepted Articlementioning

confidence: 89%

“…Previously, we presented a consistent set of distribution coefficients for PFAAs and four of their alternatives to serum albumin and membrane lipids, respectively (Allendorf et al 2019;Ebert et al 2020). In the course of these two publications, we reevaluated distribution coefficients of PFAAs to albumin determined by others.…”

Section: Accepted Articlementioning

confidence: 99%

“…Dialysis cells were incubated for one more day and sampling was repeated to ensure that no significant difference was observed for the determined distribution coefficient between the two time points. This indicated whether equilibrium was reached (Allendorf et al 2019).…”

Section: Accepted Articlementioning

confidence: 99%

“…Corporation) in negative electrospray ionization mode (for detailed description see SI-1.7 and references Berger et al (2009) and Allendorf et al (2019)).…”

Section: Accepted Articlementioning

confidence: 99%

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Estimating the Equilibrium Distribution of Perfluoroalkyl Acids and 4 of Their Alternatives in Mammals

Allendorf

Goss

Ulrich

2021

Enviro Toxic and Chemistry

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Perfluoroalkyl acids (PFAAs) mostly exist as ionic compounds that are of major concern because of their accumulative behavior. The discussion about their risk is ongoing considering the increasing production of structurally similar alternatives. We conducted model calculations based on equilibrium distribution coefficients that allow studying the distribution of PFAAs and their alternatives in various mammalian organs through comparison to empirical measurements in humans and rats. The calculations rely on experimentally determined distribution coefficients of a series of PFAAs and 4 of their alternatives to physiological matrices such as structural proteins, storage lipids, membrane lipids, albumin, and fatty acid binding protein (FABP). The relative sorption capacities in each organ were calculated from the combination of distribution coefficients and physiological data. The calculated distribution of PFAAs and alternatives within the organs showed that albumin and membrane lipids and, to a lesser extent, structural proteins have the highest relative sorption capacities for the compounds. Sorption to FABP is only relevant in the distribution of short‐chain PFAAs. Storage lipids play a minor role in the distribution of all studied compounds. Our calculated distribution of PFAAs was evaluated by comparison to reported PFAA concentrations in various organs. Environ Toxicol Chem 2021;40:910–920. © 2020 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.

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Section: Accepted Articlementioning

confidence: 89%

Section: Accepted Articlementioning

confidence: 99%

Section: Accepted Articlementioning

confidence: 99%

“…Corporation) in negative electrospray ionization mode (for detailed description see SI-1.7 and references Berger et al (2009) and Allendorf et al (2019)).…”

Section: Accepted Articlementioning

confidence: 99%

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Estimating the Equilibrium Distribution of Perfluoroalkyl Acids and 4 of Their Alternatives in Mammals

Allendorf

Goss

Ulrich

2021

Enviro Toxic and Chemistry

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“…Furthermore, the basic components of cell culture media, such as serum proteins, can influence the bioavailability of a test compound 23 yet are rarely assessed. Given that PFAS, such as PFOS and PFOA, have a high affinity for serum proteins including human and bovine albumin, 24,25 it is likely that bioavailability of PFAS in in vitro systems is altered by serum proteins in the cell media. Indeed, several in vitro studies of lung epithelial cells, hepatocytes, and adipocytes showed significantly less internal PFOS or PFOA after exposure in serum‐containing media relative to exposure in serum‐free media 26,27 .…”

Section: Introductionmentioning

confidence: 99%

An assessment of serum‐dependent impacts on intracellular accumulation and genomic response of per‐ and polyfluoroalkyl substances in a placental trophoblast model

Bangma

Szilagyi

Blake

et al. 2020

Environmental Toxicology

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Per‐ and polyfluoroalkyl substances (PFAS), a class of environmental contaminants, have been detected in human placenta and cord blood. The mechanisms driving PFAS‐induced effects on the placenta and adverse pregnancy outcomes are not well understood. This study investigated the impact of perfluorooctanesulfonic acid (PFOS), perfluorooctanoic acid (PFOA), and a replacement PFAS known as hexafluoropropylene oxide dimer acid (HFPO‐DA, tradename GenX) on placental trophoblasts in vitro. Several key factors were addressed. First, PFAS levels in cell culture reagents at baseline were quantified. Second, the role of supplemental media serum in intracellular accumulation of PFAS in a human trophoblast (JEG3) cell line was established. Finally, the impact of PFAS on the expression of 96 genes involved in proper placental function in JEG3 cells was evaluated. The results revealed that serum‐free media (SFM) contained no detectable PFAS. In contrast, fetal bovine serum‐supplemented media (SSM) contained PFNA, PFUdA, PFTrDA, and 6:2 FTS, but these PFAS were not detected internally in cells. Intracellular accumulation following 24 hr treatments was significantly higher when cultured in SFM compared to SSM for PFOS and PFOA, but not HFPO‐DA. Treatment with PFAS was associated with gene expression changes (n = 32) in pathways vital to placental function, including viability, syncytialization, inflammation, transport, and invasion/mesenchymal transition. Among the most robust PFAS‐associated changes were those observed in the known apoptosis‐related genes, BAD and BAX. These results suggest a complex relationship between PFAS, in vitro culture conditions, and altered expression of key genes necessary for proper placentation.

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Yolk–Water Partitioning of Neutral Organic Compounds in the Model Organism Danio rerio

Ulrich

Schweiger

Pfennigsdorff

et al. 2020

Enviro Toxic and Chemistry

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Yolk is the most important temporary biological compartment of the early life stages of fish embryos. The sorption strength of a chemical to yolk components may significantly influence the distribution of that chemical in the fish embryo. We determined yolk-water partition coefficients (K yolk/water , in liters of water per kilogram of yolk, normalized to dry wt) for 70 neutral organic chemicals. The log K yolk/water values range from 0.76 to 6.56. On the basis of these values, we developed polyparameter linear free energy relationship models to predict yolk-water partitioning for a broad range of neutral organic chemicals with a root mean squared error of 0.37 and r 2 of 0.919. These models can be applied for the prediction of internal concentrations at equilibrium (neglecting biotransformation and active transport) in the zebrafish embryo test system.

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Partition coefficients of four perfluoroalkyl acid alternatives between bovine serum albumin (BSA) and water in comparison to ten classical perfluoroalkyl acids

Abstract: Alternatives to long-chain PFAAs sorb similarly strongly to serum albumin as the classical PFAAs.

Cited by 40 publications

References 66 publications

Estimating the Equilibrium Distribution of Perfluoroalkyl Acids and 4 of Their Alternatives in Mammals

Estimating the Equilibrium Distribution of Perfluoroalkyl Acids and 4 of Their Alternatives in Mammals

An assessment of serum‐dependent impacts on intracellular accumulation and genomic response of per‐ and polyfluoroalkyl substances in a placental trophoblast model

Yolk–Water Partitioning of Neutral Organic Compounds in the Model Organism Danio rerio

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