Matches in SemOpenAlex for { <https://semopenalex.org/work/W4225120273> ?p ?o ?g. }
- W4225120273 endingPage "129033" @default.
- W4225120273 startingPage "129033" @default.
- W4225120273 abstract "Sulfonamides (SAs) are now recognized as the main emerging environmental pollutants in aquatic environments. Although the bioaccumulation capacities of SAs have been confirmed, the pathway for the penetration of the SAs into lipid bilayer has been not fully understood. In this study, the bioaccumulation mechanism of four typical SAs onto the dipalmitoyl phosphatidylcholine (DPPC) lipid bilayer and their effects on the properties of DPPC bilayer were employed and evaluated respectively by using molecular dynamics simulations. Results show that from the viewpoint of thermodynamics, it is favorable for these SAs partitioning to DPPC bilayer. The accommodation of four SAs onto the lipid membrane needs to undergo several processes, which include the contact stage, transformation stage, and absorption stage. Besides, the sulfamethoxazole (SMX) and sulfamethazine (SMZ) show a strong preference for the DPPC phase rather than the interface region while the sulfadiazine (SDZ) and sulfametoxydiazine (SMD) have similar tendencies in the interface region and DPPC phase. Furthermore, the cytotoxicity of SAs is reflected in their ability to affect the electrostatic potential of the membrane and to reduce the thickness of phospholipid bilayers. This molecular-level study provided an insightful understanding of the toxicity and bioaccumulation of SAs." @default.
- W4225120273 created "2022-05-01" @default.
- W4225120273 creator A5011618258 @default.
- W4225120273 creator A5036927912 @default.
- W4225120273 creator A5056147538 @default.
- W4225120273 date "2022-08-01" @default.
- W4225120273 modified "2023-09-26" @default.
- W4225120273 title "Theoretical insights into the uptake of sulfonamides onto phospholipid bilayers: Mechanisms, interaction and toxicity evaluation" @default.
- W4225120273 cites W1031578623 @default.
- W4225120273 cites W1965200769 @default.
- W4225120273 cites W1971212169 @default.
- W4225120273 cites W1972596040 @default.
- W4225120273 cites W1974302367 @default.
- W4225120273 cites W1981021420 @default.
- W4225120273 cites W1983022201 @default.
- W4225120273 cites W1988534433 @default.
- W4225120273 cites W1995816895 @default.
- W4225120273 cites W2001240188 @default.
- W4225120273 cites W2017493899 @default.
- W4225120273 cites W2025236663 @default.
- W4225120273 cites W2029508621 @default.
- W4225120273 cites W2029667189 @default.
- W4225120273 cites W2036441926 @default.
- W4225120273 cites W2037788435 @default.
- W4225120273 cites W2049709847 @default.
- W4225120273 cites W2057477511 @default.
- W4225120273 cites W2064275086 @default.
- W4225120273 cites W2064388657 @default.
- W4225120273 cites W2064567318 @default.
- W4225120273 cites W2067174909 @default.
- W4225120273 cites W2078278984 @default.
- W4225120273 cites W2081693079 @default.
- W4225120273 cites W2085660537 @default.
- W4225120273 cites W2088653659 @default.
- W4225120273 cites W2090861146 @default.
- W4225120273 cites W2090967772 @default.
- W4225120273 cites W2092068407 @default.
- W4225120273 cites W2092742519 @default.
- W4225120273 cites W2104919283 @default.
- W4225120273 cites W2112154906 @default.
- W4225120273 cites W2115443721 @default.
- W4225120273 cites W2128572087 @default.
- W4225120273 cites W2132525235 @default.
- W4225120273 cites W2141273392 @default.
- W4225120273 cites W2144457928 @default.
- W4225120273 cites W2149446906 @default.
- W4225120273 cites W2149628585 @default.
- W4225120273 cites W2171727742 @default.
- W4225120273 cites W2339698139 @default.
- W4225120273 cites W2342692980 @default.
- W4225120273 cites W2412823006 @default.
- W4225120273 cites W2588703796 @default.
- W4225120273 cites W2606518577 @default.
- W4225120273 cites W2612770149 @default.
- W4225120273 cites W2618866029 @default.
- W4225120273 cites W2692515715 @default.
- W4225120273 cites W2746473933 @default.
- W4225120273 cites W2768396216 @default.
- W4225120273 cites W2790845991 @default.
- W4225120273 cites W2792143480 @default.
- W4225120273 cites W279368963 @default.
- W4225120273 cites W2802376880 @default.
- W4225120273 cites W2894639568 @default.
- W4225120273 cites W2896671001 @default.
- W4225120273 cites W2918495413 @default.
- W4225120273 cites W2936028583 @default.
- W4225120273 cites W2964004105 @default.
- W4225120273 cites W2995371403 @default.
- W4225120273 cites W3016408265 @default.
- W4225120273 cites W3037481600 @default.
- W4225120273 cites W3115606917 @default.
- W4225120273 cites W3126373685 @default.
- W4225120273 cites W3127088385 @default.
- W4225120273 cites W3127462012 @default.
- W4225120273 cites W3129388394 @default.
- W4225120273 cites W3152519506 @default.
- W4225120273 cites W3153191367 @default.
- W4225120273 cites W3183320798 @default.
- W4225120273 cites W3183705901 @default.
- W4225120273 cites W3197165946 @default.
- W4225120273 cites W3204638028 @default.
- W4225120273 cites W4210766766 @default.
- W4225120273 doi "https://doi.org/10.1016/j.jhazmat.2022.129033" @default.
- W4225120273 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35525012" @default.
- W4225120273 hasPublicationYear "2022" @default.
- W4225120273 type Work @default.
- W4225120273 citedByCount "5" @default.
- W4225120273 countsByYear W42251202732023 @default.
- W4225120273 crossrefType "journal-article" @default.
- W4225120273 hasAuthorship W4225120273A5011618258 @default.
- W4225120273 hasAuthorship W4225120273A5036927912 @default.
- W4225120273 hasAuthorship W4225120273A5056147538 @default.
- W4225120273 hasConcept C107872376 @default.
- W4225120273 hasConcept C12554922 @default.
- W4225120273 hasConcept C185592680 @default.
- W4225120273 hasConcept C192157962 @default.
- W4225120273 hasConcept C2776330855 @default.
- W4225120273 hasConcept C2778918659 @default.