Deriving Membrane-Water and Protein-Water Partition Coefficients from In Vitro Experiments for Per- and Polyfluoroalkyl Substances (PFAS).

ABSTRACT: The phospholipid membrane-water partition coefficients (K_MW) and equilibrium binding affinities for human serum albumin (HSA) of 60 structurally diverse perfluoroalkyl and polyfluoroalkyl substances (PFAS) were evaluated through laboratory measurements and modeling to enhance our understanding of PFAS distribution in organisms. Per- and polyfluoroalkyl carboxylic acids exhibited a 0.36 ± 0.01 log-unit increase in K_MW as the fluorinated carbon chain length increased from C₄ to C₁₆, while per- and polyfluoroalkyl sulfonates showed a 0.37 ± 0.02 log-unit increase. The highest HSA affinity range was observed between C₆ and C₁₀, with the following structural subclass order: per- and polyfluoroalkyl sulfonates ≈ ethe

SUBMITTER: Chen R 

PROVIDER: S-EPMC11740993 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature