Novel Models for Accurate Estimation of Air-Blood Partitioning: Applications to Individual Compounds and Complex Mixtures of Neutral Organic Compounds.

ABSTRACT: The air-blood partition coefficient (K_ab) is extensively employed in human health risk assessment for chemical exposure. However, current K_ab estimation approaches either require an extensive number of parameters or lack precision. In this study, we present two novel and parsimonious models to accurately estimate K_ab values for individual neutral organic compounds, as well as their complex mixtures. The first model, termed the GC×GC model, was developed based on the retention times of nonpolar chemical analytes on comprehensive two-dimensional gas chromatography (GC×GC). This model is unique in its ability to estimate the K_ab values for complex mixtures of nonpolar organic chemicals. The GC×

SUBMITTER: Aakash A 

PROVIDER: S-EPMC10685450 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature