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• W4308190905 endingPage "159962" @default.
• W4308190905 startingPage "159962" @default.
• W4308190905 abstract "The distribution of nanoparticles between aqueous and organic phases is universally considered as the starting point in predicting the fate and bioavailability of engineered nanoparticles in the environment. However, the theoretical basis for determining the distribution of nanoparticles in the immiscible water-oil system remains unclear. Here, for the first time, theoretical calculations were conducted to illustrate the underlying mechanism. It was suggested that the distribution of nanoparticles was largely controlled by the surface charge, particle size and surface hydrophobicity, and the water-oil interface was not the favorable phase for nanoparticles until a size threshold (10 nm) was met and the particle surface became amphiphilic. The theoretical results were verified by the experimental approaches of different nanoparticles distributed in the water-octanol mixture. The neutralization of a charged surface led to enhanced distribution into octanol for hydrophobic nanoparticles (e.g., aqueous C60), yet it had little effect on hydrophilic nanoparticles (e.g., fullerol). More nanoparticles were trapped at the water-oil interface when size grew larger (e.g., Ag-CIT and Au-CIT with citrate) and the surface rendered amphiphilic by polymeric coatings (e.g., Ag-PVP with polyvinylpyrrolidone), though larger hydrophobic nanoparticles like aqu-nC60 tended to stay in the octanol. The surface charge and hydrophobicity may have an important impact on the path-dependent distribution of nanoparticles in water- octanol system. The mechanistic insights based on theoretical calculations and experimental approaches will facilitate the accurate prediction of the distribution of engineered nanoparticles in biological and environmental systems." @default.
• W4308190905 created "2022-11-09" @default.
• W4308190905 creator A5049908013 @default.
• W4308190905 creator A5063193354 @default.
• W4308190905 creator A5079496622 @default.
• W4308190905 date "2023-02-01" @default.
• W4308190905 modified "2023-10-17" @default.
• W4308190905 title "Theoretical basis and experimental verification for evaluating the distribution of engineered nanoparticles in water-oil system" @default.
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• W4308190905 doi "https://doi.org/10.1016/j.scitotenv.2022.159962" @default.
• W4308190905 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36343814" @default.
• W4308190905 hasPublicationYear "2023" @default.
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