The adsorption of drugs on nanoplastics has severe biological impact.
Journal
Scientific reports
ISSN: 2045-2322
Titre abrégé: Sci Rep
Pays: England
ID NLM: 101563288
Informations de publication
Date de publication:
28 10 2024
28 10 2024
Historique:
received:
20
06
2024
accepted:
08
10
2024
medline:
29
10
2024
pubmed:
29
10
2024
entrez:
29
10
2024
Statut:
epublish
Résumé
Micro- and nanoplastics can interact with various biologically active compounds forming aggregates of which the effects have yet to be understood. To this end, it is vital to characterize these aggregates of key compounds and micro- and nanoplastics. In this study, we examined the adsorption of the antibiotic tetracycline on four different nanoplastics, made of polyethylene (PE), polypropylene (PP), polystyrene (PS), and nylon 6,6 (N66) through chemical computation. Two separate approaches were employed to generate relevant conformations of the tetracycline-plastic complexes. In the first approach, we folded the plastic particle from individual polymer chains in the presence of the drug through multiple separate simulated annealing setups. In the second, more biased, approach, the neat plastic was pre-folded through simulated annealing, and the drug was placed at its surface in multiple orientations. The former approach was clearly superior to the other, obtaining lower energy conformations even with the antibiotic buried inside the plastic particle. Quantum chemical calculations on the structures revealed that the adsorption energies show a trend of decreasing affinity to the drug in the order of N66> PS> PP> PE. In vitro experiments on tetracycline-sensitive cell lines demonstrated that, in qualitative agreement with the calculations, the biological activity of tetracycline drops significantly in the presence of PS particles. Preliminary molecular dynamics simulations on two selected aggregates with each plastic served as first stability test of the aggregates under influence of temperature and in water. We found that all the selected cases persisted in water indicating that the aggregates may be stable also in more realistic environments. In summary, our data show that the interaction of micro- and nanoplastics with drugs can alter drug absorption, facilitate drug transport to new locations, and increase local antibiotic concentrations, potentially attenuating antibiotic effect and at the same time promoting antibiotic resistance.
Identifiants
pubmed: 39468142
doi: 10.1038/s41598-024-75785-4
pii: 10.1038/s41598-024-75785-4
doi:
Substances chimiques
Tetracycline
F8VB5M810T
Anti-Bacterial Agents
0
Microplastics
0
Polystyrenes
0
Polypropylenes
0
Polymers
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
25853Subventions
Organisme : European Research Council
ID : 951513
Pays : International
Organisme : Fundação de Amparo à Pesquisa do Estado de São Paulo
ID : #2020/10246-0
Organisme : Deutsche Forschungsgemeinschaft
ID : 511713970
Organisme : Bundesministerium für Klimaschutz, Umwelt, Energie, Mobilität, Innovation und Technologie
ID : microONE
Organisme : Austrian Science Fund
ID : P26011
Organisme : National Research, Development and Innovation Office
ID : OTKA-FK 138823
Organisme : Nemzeti Kutatási, Fejlesztési és Innovaciós Alap
ID : ÚNKP-22-5
Informations de copyright
© 2024. The Author(s).
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