Interaction of 5‑Fluorouracil on the Surfaces of Pristine and Functionalized Ca12O12 Nanocages: An Intuition from DFT
| Main Authors: | , , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2023-04-01
|
| Series: | ACS Omega |
| Online Access: | https://doi.org/10.1021/acsomega.2c03635 |
| _version_ | 1827965205001273344 |
|---|---|
| author | Goodness J. Ogunwale Hitler Louis Tomsmith O. Unimuke Gideon E. Mathias Aniekan E. Owen Henry O. Edet Obieze C. Enudi Esther O. Oluwasanmi Adedapo S. Adeyinka Mohsen Doust Mohammadi |
| author_facet | Goodness J. Ogunwale Hitler Louis Tomsmith O. Unimuke Gideon E. Mathias Aniekan E. Owen Henry O. Edet Obieze C. Enudi Esther O. Oluwasanmi Adedapo S. Adeyinka Mohsen Doust Mohammadi |
| author_sort | Goodness J. Ogunwale |
| collection | DOAJ |
| first_indexed | 2024-04-09T17:28:14Z |
| format | Article |
| id | doaj.art-783101f430814275b1724c6835a21a8d |
| institution | Directory Open Access Journal |
| issn | 2470-1343 |
| language | English |
| last_indexed | 2024-04-09T17:28:14Z |
| publishDate | 2023-04-01 |
| publisher | American Chemical Society |
| record_format | Article |
| series | ACS Omega |
| spelling | doaj.art-783101f430814275b1724c6835a21a8d2023-04-18T07:54:45ZengAmerican Chemical SocietyACS Omega2470-13432023-04-01815135511356810.1021/acsomega.2c03635Interaction of 5‑Fluorouracil on the Surfaces of Pristine and Functionalized Ca12O12 Nanocages: An Intuition from DFTGoodness J. Ogunwale0Hitler Louis1Tomsmith O. Unimuke2Gideon E. Mathias3Aniekan E. Owen4Henry O. Edet5Obieze C. Enudi6Esther O. Oluwasanmi7Adedapo S. Adeyinka8Mohsen Doust Mohammadi9Computational and Bio-Simulation Research Group, University of Calabar, Calabar, NigeriaComputational and Bio-Simulation Research Group, University of Calabar, Calabar, NigeriaComputational and Bio-Simulation Research Group, University of Calabar, Calabar, NigeriaComputational and Bio-Simulation Research Group, University of Calabar, Calabar, NigeriaSchool of Chemistry, University of St Andrews, St Andrews, ScotlandComputational and Bio-Simulation Research Group, University of Calabar, Calabar, NigeriaComputational and Bio-Simulation Research Group, University of Calabar, Calabar, NigeriaComputational and Bio-Simulation Research Group, University of Calabar, Calabar, NigeriaDepartment of Chemical Sciences, University of Johannesburg, Johannesburg, South-AfricaSchool of Chemistry, College of Science, University of Tehran, Tehran, Iranhttps://doi.org/10.1021/acsomega.2c03635 |
| spellingShingle | Goodness J. Ogunwale Hitler Louis Tomsmith O. Unimuke Gideon E. Mathias Aniekan E. Owen Henry O. Edet Obieze C. Enudi Esther O. Oluwasanmi Adedapo S. Adeyinka Mohsen Doust Mohammadi Interaction of 5‑Fluorouracil on the Surfaces of Pristine and Functionalized Ca12O12 Nanocages: An Intuition from DFT ACS Omega |
| title | Interaction of 5‑Fluorouracil on the Surfaces of Pristine and Functionalized Ca12O12 Nanocages: An Intuition from DFT |
| title_full | Interaction of 5‑Fluorouracil on the Surfaces of Pristine and Functionalized Ca12O12 Nanocages: An Intuition from DFT |
| title_fullStr | Interaction of 5‑Fluorouracil on the Surfaces of Pristine and Functionalized Ca12O12 Nanocages: An Intuition from DFT |
| title_full_unstemmed | Interaction of 5‑Fluorouracil on the Surfaces of Pristine and Functionalized Ca12O12 Nanocages: An Intuition from DFT |
| title_short | Interaction of 5‑Fluorouracil on the Surfaces of Pristine and Functionalized Ca12O12 Nanocages: An Intuition from DFT |
| title_sort | interaction of 5 fluorouracil on the surfaces of pristine and functionalized ca12o12 nanocages an intuition from dft |
| url | https://doi.org/10.1021/acsomega.2c03635 |
| work_keys_str_mv | AT goodnessjogunwale interactionof5fluorouracilonthesurfacesofpristineandfunctionalizedca12o12nanocagesanintuitionfromdft AT hitlerlouis interactionof5fluorouracilonthesurfacesofpristineandfunctionalizedca12o12nanocagesanintuitionfromdft AT tomsmithounimuke interactionof5fluorouracilonthesurfacesofpristineandfunctionalizedca12o12nanocagesanintuitionfromdft AT gideonemathias interactionof5fluorouracilonthesurfacesofpristineandfunctionalizedca12o12nanocagesanintuitionfromdft AT aniekaneowen interactionof5fluorouracilonthesurfacesofpristineandfunctionalizedca12o12nanocagesanintuitionfromdft AT henryoedet interactionof5fluorouracilonthesurfacesofpristineandfunctionalizedca12o12nanocagesanintuitionfromdft AT obiezecenudi interactionof5fluorouracilonthesurfacesofpristineandfunctionalizedca12o12nanocagesanintuitionfromdft AT estherooluwasanmi interactionof5fluorouracilonthesurfacesofpristineandfunctionalizedca12o12nanocagesanintuitionfromdft AT adedaposadeyinka interactionof5fluorouracilonthesurfacesofpristineandfunctionalizedca12o12nanocagesanintuitionfromdft AT mohsendoustmohammadi interactionof5fluorouracilonthesurfacesofpristineandfunctionalizedca12o12nanocagesanintuitionfromdft |