FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4323924912> ?p ?o ?g. }

• W4323924912 endingPage "100175" @default.
• W4323924912 startingPage "100175" @default.
• W4323924912 abstract "Motivated by the need for enhancing sorbent affinity for per- and polyfluoroalkyl substances (PFAS), we demonstrate the possibility of rationally designing clay-based material (FluoroClay) with a pre-selected intercalant and predicting sorbent performance using all-atom molecular dynamics simulation coupled with density functional theory-based computation. Perfluorohexyldodecane quaternary ammonium (F6H12A) as the selected intercalant revealed significant enhancement in adsorption affinity for hard-to-remove compounds, including perfluorobutane sulfonate (PFBS) and polyfluoroalkylethers (GenX and ADONA). The adsorption is thermodynamically entropy-driven and dominated by the hydrophobic effect. The incorporation of fluorine atoms into clay intercalants gave rise to a hydrophobic and fluorophilic “cavity” structure for targeted PFAS. The self-assembly of intercalant-PFAS under the negative electric field of clay sheets created a unique configuration that significantly enlarged the contact surface area between PFAS and F6H12A and was quantitatively driven by their intermolecular interactions, e.g., CF chain-CH chain, CF chain-CF chain, and charge-CH chain interactions. Collectively, our work demonstrated a new approach to select fluorinated functionality for designing a new adsorbent and estimating its performance via molecular simulation. It also provided an in-depth understanding of the underlying fundamental physics and chemistry in the adsorption of PFAS, suggesting a new strategy for PFAS removal, particularly for short-chain PFAS and new chemical alternatives." @default.
• W4323924912 created "2023-03-12" @default.
• W4323924912 creator A5057221549 @default.
• W4323924912 creator A5090449124 @default.
• W4323924912 date "2023-05-01" @default.
• W4323924912 modified "2023-09-26" @default.
• W4323924912 title "Molecular framework for designing Fluoroclay with enhanced affinity for per- and polyfluoroalkyl substances" @default.
• W4323924912 cites W1917491239 @default.
• W4323924912 cites W1978159078 @default.
• W4323924912 cites W2022160413 @default.
• W4323924912 cites W2035359137 @default.
• W4323924912 cites W2037945391 @default.
• W4323924912 cites W2049444889 @default.
• W4323924912 cites W2049475242 @default.
• W4323924912 cites W2069217149 @default.
• W4323924912 cites W2091445625 @default.
• W4323924912 cites W2092157292 @default.
• W4323924912 cites W2094557120 @default.
• W4323924912 cites W2112558380 @default.
• W4323924912 cites W2114809918 @default.
• W4323924912 cites W2160679140 @default.
• W4323924912 cites W2212434079 @default.
• W4323924912 cites W2319750013 @default.
• W4323924912 cites W2331676891 @default.
• W4323924912 cites W2334394530 @default.
• W4323924912 cites W2471470252 @default.
• W4323924912 cites W2594341860 @default.
• W4323924912 cites W2618686816 @default.
• W4323924912 cites W2794651884 @default.
• W4323924912 cites W2809541961 @default.
• W4323924912 cites W2883486195 @default.
• W4323924912 cites W2989585944 @default.
• W4323924912 cites W2994162989 @default.
• W4323924912 cites W3001034812 @default.
• W4323924912 cites W3007350205 @default.
• W4323924912 cites W3041864721 @default.
• W4323924912 cites W3080211948 @default.
• W4323924912 cites W3160242042 @default.
• W4323924912 cites W3164608 @default.
• W4323924912 cites W3177457765 @default.
• W4323924912 cites W4226028916 @default.
• W4323924912 cites W4321113560 @default.
• W4323924912 doi "https://doi.org/10.1016/j.wroa.2023.100175" @default.
• W4323924912 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36950253" @default.
• W4323924912 hasPublicationYear "2023" @default.
• W4323924912 type Work @default.
• W4323924912 citedByCount "0" @default.
• W4323924912 crossrefType "journal-article" @default.
• W4323924912 hasAuthorship W4323924912A5057221549 @default.
• W4323924912 hasAuthorship W4323924912A5090449124 @default.
• W4323924912 hasBestOaLocation W43239249121 @default.
• W4323924912 hasConcept C127413603 @default.
• W4323924912 hasConcept C147597530 @default.
• W4323924912 hasConcept C150394285 @default.
• W4323924912 hasConcept C159467904 @default.
• W4323924912 hasConcept C171250308 @default.
• W4323924912 hasConcept C178790620 @default.
• W4323924912 hasConcept C185592680 @default.
• W4323924912 hasConcept C192562407 @default.
• W4323924912 hasConcept C2777899863 @default.
• W4323924912 hasConcept C2778894819 @default.
• W4323924912 hasConcept C2779870022 @default.
• W4323924912 hasConcept C42360764 @default.
• W4323924912 hasConcept C537181965 @default.
• W4323924912 hasConcept C59593255 @default.
• W4323924912 hasConceptScore W4323924912C127413603 @default.
• W4323924912 hasConceptScore W4323924912C147597530 @default.
• W4323924912 hasConceptScore W4323924912C150394285 @default.
• W4323924912 hasConceptScore W4323924912C159467904 @default.
• W4323924912 hasConceptScore W4323924912C171250308 @default.
• W4323924912 hasConceptScore W4323924912C178790620 @default.
• W4323924912 hasConceptScore W4323924912C185592680 @default.
• W4323924912 hasConceptScore W4323924912C192562407 @default.
• W4323924912 hasConceptScore W4323924912C2777899863 @default.
• W4323924912 hasConceptScore W4323924912C2778894819 @default.
• W4323924912 hasConceptScore W4323924912C2779870022 @default.
• W4323924912 hasConceptScore W4323924912C42360764 @default.
• W4323924912 hasConceptScore W4323924912C537181965 @default.
• W4323924912 hasConceptScore W4323924912C59593255 @default.
• W4323924912 hasLocation W43239249121 @default.
• W4323924912 hasLocation W43239249122 @default.
• W4323924912 hasLocation W43239249123 @default.
• W4323924912 hasLocation W43239249124 @default.
• W4323924912 hasOpenAccess W4323924912 @default.
• W4323924912 hasPrimaryLocation W43239249121 @default.
• W4323924912 hasRelatedWork W2049867697 @default.
• W4323924912 hasRelatedWork W2347412076 @default.
• W4323924912 hasRelatedWork W2348186688 @default.
• W4323924912 hasRelatedWork W2350086007 @default.
• W4323924912 hasRelatedWork W2383805376 @default.
• W4323924912 hasRelatedWork W2748952813 @default.
• W4323924912 hasRelatedWork W2899084033 @default.
• W4323924912 hasRelatedWork W3020969850 @default.
• W4323924912 hasRelatedWork W3122850614 @default.
• W4323924912 hasRelatedWork W3151576315 @default.
• W4323924912 hasVolume "19" @default.
• W4323924912 isParatext "false" @default.
• W4323924912 isRetracted "false" @default.

• next