Matches in SemOpenAlex for { <https://semopenalex.org/work/W3136205653> ?p ?o ?g. }
- W3136205653 endingPage "1586" @default.
- W3136205653 startingPage "1586" @default.
- W3136205653 abstract "Doxorubicin (DOX), a recognized anticancer drug, forms stable associations with carbon nanotubes (CNTs). CNTs when properly functionalized have the ability to anchor directly in cancerous tumors where the release of the drug occurs thanks to the tumor slightly acidic pH. Herein, we study the armchair and zigzag CNTs with Stone–Wales (SW) defects to rank their ability to encapsulate DOX by determining the DOX-CNT binding free energies using the MM/PBSA and MM/GBSA methods implemented in AMBER16. We investigate also the chiral CNTs with haeckelite defects. Each haeckelite defect consists of a pair of square and octagonal rings. The armchair and zigzag CNT with SW defects and chiral nanotubes with haeckelite defects predict DOX-CNT interactions that depend on the length of the nanotube, the number of present defects and nitrogen doping. Chiral nanotubes having two haeckelite defects reveal a clear dependence on the nitrogen content with DOX-CNT interaction forces decreasing in the order 0N > 4N > 8N. These results contribute to a further understanding of drug-nanotube interactions and to the design of new drug delivery systems based on CNTs." @default.
- W3136205653 created "2021-03-29" @default.
- W3136205653 creator A5009641844 @default.
- W3136205653 creator A5023968236 @default.
- W3136205653 creator A5027264572 @default.
- W3136205653 creator A5063268959 @default.
- W3136205653 date "2021-03-13" @default.
- W3136205653 modified "2023-10-14" @default.
- W3136205653 title "Doxorubicin Encapsulation in Carbon Nanotubes Having Haeckelite or Stone–Wales Defects as Drug Carriers: A Molecular Dynamics Approach" @default.
- W3136205653 cites W1902987429 @default.
- W3136205653 cites W1972180606 @default.
- W3136205653 cites W1976161355 @default.
- W3136205653 cites W1978522143 @default.
- W3136205653 cites W1980136215 @default.
- W3136205653 cites W2019166365 @default.
- W3136205653 cites W2020362795 @default.
- W3136205653 cites W2025765160 @default.
- W3136205653 cites W2040885944 @default.
- W3136205653 cites W2050476929 @default.
- W3136205653 cites W2055365289 @default.
- W3136205653 cites W2080098209 @default.
- W3136205653 cites W2082378681 @default.
- W3136205653 cites W2095719702 @default.
- W3136205653 cites W2104919283 @default.
- W3136205653 cites W2118233996 @default.
- W3136205653 cites W2122972834 @default.
- W3136205653 cites W2123203533 @default.
- W3136205653 cites W2131288855 @default.
- W3136205653 cites W2140182328 @default.
- W3136205653 cites W2145641562 @default.
- W3136205653 cites W2149674473 @default.
- W3136205653 cites W2161105252 @default.
- W3136205653 cites W2169816046 @default.
- W3136205653 cites W2181928752 @default.
- W3136205653 cites W2189233988 @default.
- W3136205653 cites W2321909564 @default.
- W3136205653 cites W2522736481 @default.
- W3136205653 cites W2598734390 @default.
- W3136205653 cites W2620694658 @default.
- W3136205653 cites W2734793095 @default.
- W3136205653 cites W2768392301 @default.
- W3136205653 cites W2793091300 @default.
- W3136205653 cites W2799875886 @default.
- W3136205653 cites W2804226657 @default.
- W3136205653 cites W2895977609 @default.
- W3136205653 cites W2898697196 @default.
- W3136205653 cites W2906890432 @default.
- W3136205653 cites W2917402922 @default.
- W3136205653 cites W2944971391 @default.
- W3136205653 cites W2946647486 @default.
- W3136205653 cites W2954506319 @default.
- W3136205653 cites W2970925835 @default.
- W3136205653 cites W2981954593 @default.
- W3136205653 cites W2986419982 @default.
- W3136205653 cites W2990788662 @default.
- W3136205653 cites W3025580614 @default.
- W3136205653 cites W3026045090 @default.
- W3136205653 cites W3031046461 @default.
- W3136205653 cites W3032190973 @default.
- W3136205653 cites W3043946983 @default.
- W3136205653 cites W3087429816 @default.
- W3136205653 cites W3095546116 @default.
- W3136205653 cites W3110124038 @default.
- W3136205653 doi "https://doi.org/10.3390/molecules26061586" @default.
- W3136205653 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7999666" @default.
- W3136205653 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/33805628" @default.
- W3136205653 hasPublicationYear "2021" @default.
- W3136205653 type Work @default.
- W3136205653 sameAs 3136205653 @default.
- W3136205653 citedByCount "6" @default.
- W3136205653 countsByYear W31362056532021 @default.
- W3136205653 countsByYear W31362056532022 @default.
- W3136205653 countsByYear W31362056532023 @default.
- W3136205653 crossrefType "journal-article" @default.
- W3136205653 hasAuthorship W3136205653A5009641844 @default.
- W3136205653 hasAuthorship W3136205653A5023968236 @default.
- W3136205653 hasAuthorship W3136205653A5027264572 @default.
- W3136205653 hasAuthorship W3136205653A5063268959 @default.
- W3136205653 hasBestOaLocation W31362056531 @default.
- W3136205653 hasConcept C118552586 @default.
- W3136205653 hasConcept C141071460 @default.
- W3136205653 hasConcept C147597530 @default.
- W3136205653 hasConcept C15744967 @default.
- W3136205653 hasConcept C171250308 @default.
- W3136205653 hasConcept C185592680 @default.
- W3136205653 hasConcept C192271897 @default.
- W3136205653 hasConcept C192562407 @default.
- W3136205653 hasConcept C2524010 @default.
- W3136205653 hasConcept C2776694085 @default.
- W3136205653 hasConcept C2777619693 @default.
- W3136205653 hasConcept C2779820397 @default.
- W3136205653 hasConcept C2780035454 @default.
- W3136205653 hasConcept C2781303535 @default.
- W3136205653 hasConcept C3018146709 @default.
- W3136205653 hasConcept C33923547 @default.
- W3136205653 hasConcept C513720949 @default.
- W3136205653 hasConcept C59593255 @default.
- W3136205653 hasConcept C71924100 @default.