Binding interaction of environmental DNA with typical emerging perfluoroalkyl acids and its impact on bioavailability.
Bioavailability
DNA
Density functional theory
Emerging PFAAs
Isothermal titration calorimetry (ITC)
Journal
The Science of the total environment
ISSN: 1879-1026
Titre abrégé: Sci Total Environ
Pays: Netherlands
ID NLM: 0330500
Informations de publication
Date de publication:
01 Jan 2024
01 Jan 2024
Historique:
received:
08
03
2023
revised:
17
08
2023
accepted:
24
09
2023
medline:
15
11
2023
pubmed:
28
9
2023
entrez:
27
9
2023
Statut:
ppublish
Résumé
As the replacement compounds of perfluoroalkyl acids (PFAAs), emerging PFAAs generally exhibit equal or more hazardous toxicity than legacy PFAAs. Numerous DNA as environmental organic matters coexists with emerging PFAAs, but their interactions and the resulting interaction impacts on the bioavailability of emerging PFAAs remain insufficiently understood. Here, we studied the binding strength and mechanism between DNA and emerging PFAAs (perfluorobutyric acid, perfluorobutylsulfonic acid, and hexafluoropropylene oxide dimer acid) using perfluorooctanoic acid as the control, and further investigated the impacts of DNA binding on the bioavailability of the emerging PFAAs. Isothermal titration calorimetry and quantum chemical calculation found that the emerging PFAAs could bind with DNA bases (main thymine) by van der Waals force and halogen-bond, showing the binding affinities in the range of 7.87 × 10
Identifiants
pubmed: 37758138
pii: S0048-9697(23)06019-9
doi: 10.1016/j.scitotenv.2023.167392
pii:
doi:
Substances chimiques
DNA, Environmental
0
Acids
0
DNA
9007-49-2
Fluorocarbons
0
Water Pollutants, Chemical
0
Alkanesulfonic Acids
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
167392Informations de copyright
Copyright © 2023 Elsevier B.V. All rights reserved.
Déclaration de conflit d'intérêts
Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.