Developing a QSPR Model of Organic Carbon Normalized Sorption Coefficients of Perfluorinated and Polyfluoroalkyl Substances.

ABSTRACT: Perfluorinated and polyfluoroalkyl substances (PFASs) are known for their long-distance migration, bioaccumulation, and toxicity. The transport of PFASs in the environment has been a source of increasing concerned. The organic carbon normalized sorption coefficient (K_oc) is an important parameter from which to understand the distribution behavior of organic matter between solid and liquid phases. Currently, the theoretical prediction research on log K_oc of PFASs is extremely limited. The existing models have limitations such as restricted application fields and unsatisfactory prediction results for some substances. In this study, a quantitative structure-property relationship (QSPR) model was established to predict the log K_oc of PFASs, and the potential me

SUBMITTER: Jiang L 

PROVIDER: S-EPMC9457706 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature