The adsorption of drugs on nanoplastics has severe biological impact
Uložené v:
| Názov: | The adsorption of drugs on nanoplastics has severe biological impact |
|---|---|
| Autori: | Dick, Leonard, Batista, Patrick R., Zaby, Paul, Manhart, Gabriele, Kopatz, Verena, Kogler, Lukas, Pichler, Verena, Grebien, Florian, Bakos, Vince, Plösz, Benedek G, Kolev, Nikola Zlatkov, Kenner, Lukas, Kirchner, Barbara, Hollóczki, Oldamur |
| Zdroj: | Sci Rep Scientific Reports, Vol 14, Iss 1, Pp 1-17 (2024) |
| Informácie o vydavateľovi: | Springer Science and Business Media LLC, 2024. |
| Rok vydania: | 2024 |
| Predmety: | Polystyrenes Chemistry, Polymers, Science, Microplastics, Anti-Bacterial Agents/chemistry, Molecular Dynamics Simulation, Polypropylenes/chemistry, Polypropylenes, Article, 102009 Computer simulation, Polystyrenes/chemistry, Polymers/chemistry, Microplastics Chemistry, Humans, Polypropylenes Chemistry, Anti-Bacterial Agents Pharmacology, Polymer Technologies, Tetracycline Pharmacology, Microplastics/chemistry, Tetracycline chemistry, Polymers Chemistry, Tetracycline/chemistry, Tetracycline, Polymerteknologi, Anti-Bacterial Agents, Anti-Bacterial Agents Chemistry, Medicine, Polystyrenes, Adsorption, 102009 Computersimulation |
| Popis: | 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. |
| Druh dokumentu: | Article Other literature type |
| Popis súboru: | application/pdf |
| Jazyk: | English |
| ISSN: | 2045-2322 |
| DOI: | 10.1038/s41598-024-75785-4 |
| Prístupová URL adresa: | https://pubmed.ncbi.nlm.nih.gov/39468142 https://doaj.org/article/5ed80949df9b448bb7086154eeed61ad https://phaidra.vetmeduni.ac.at/o:3771 https://doi.org/10.1038/s41598-024-75785-4 http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-231630 |
| Rights: | CC BY |
| Prístupové číslo: | edsair.doi.dedup.....3b73302e5746458344b793a5d876e6cd |
| Databáza: | OpenAIRE |
Full Text 
Full Text Finder 
Nájsť tento článok vo Web of Science | Abstrakt: | 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. |
|---|---|
| ISSN: | 20452322 |
| DOI: | 10.1038/s41598-024-75785-4 |