A density functional theory study on the potential application of Ni and Co doped ZnO nanosheets as a carrier for ciclopirox anticancer drug
The Ni and Co doping effect on the ciclopirox (CPX) drug delivery performance of a ZnO nanosheet (ZnO-NS) was investigated theoretically. Doping Ni and Co metals into the ZnO-NS increased the adsorption energy of CPX from -7.9 to -27.4 and -31.7 kcal/mol, respectively. The CPX adsorption reduced the ZnO-NS gap (Eg) from 3.81 to 3.46 eV, while the CPX adsorption reduced the Eg of the Ni- and Co-doped ZnO-NS from 2.74 and 2.68 eV to 1.87 and 1.71 eV, respectively. The CPX adsorption performance increased after doping process. A drug release mechanism was introduced in cancerous tissues based on the PH..
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2024 |
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| Erschienen: |
2024 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:27 |
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| Enthalten in: |
Computer methods in biomechanics and biomedical engineering - 27(2024), 6 vom: 15. Apr., Seite 765-774 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Taha, Ali [VerfasserIn] |
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| Links: |
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| Themen: |
19W019ZDRJ |
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| Anmerkungen: |
Date Completed 15.04.2024 Date Revised 15.04.2024 published: Print-Electronic Citation Status MEDLINE |
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| doi: |
10.1080/10255842.2023.2202294 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM362778213 |
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| 245 | 1 | 2 | |a A density functional theory study on the potential application of Ni and Co doped ZnO nanosheets as a carrier for ciclopirox anticancer drug |
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| 500 | |a Date Revised 15.04.2024 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status MEDLINE | ||
| 520 | |a The Ni and Co doping effect on the ciclopirox (CPX) drug delivery performance of a ZnO nanosheet (ZnO-NS) was investigated theoretically. Doping Ni and Co metals into the ZnO-NS increased the adsorption energy of CPX from -7.9 to -27.4 and -31.7 kcal/mol, respectively. The CPX adsorption reduced the ZnO-NS gap (Eg) from 3.81 to 3.46 eV, while the CPX adsorption reduced the Eg of the Ni- and Co-doped ZnO-NS from 2.74 and 2.68 eV to 1.87 and 1.71 eV, respectively. The CPX adsorption performance increased after doping process. A drug release mechanism was introduced in cancerous tissues based on the PH. | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a Adsorption | |
| 650 | 4 | |a ZnO nanosheet | |
| 650 | 4 | |a ciclopirox drug | |
| 650 | 4 | |a density functional theory | |
| 650 | 4 | |a drug delivery | |
| 650 | 4 | |a molecular modeling | |
| 650 | 7 | |a Ciclopirox |2 NLM | |
| 650 | 7 | |a 19W019ZDRJ |2 NLM | |
| 650 | 7 | |a Zinc Oxide |2 NLM | |
| 650 | 7 | |a SOI2LOH54Z |2 NLM | |
| 650 | 7 | |a Metals |2 NLM | |
| 650 | 7 | |a Antineoplastic Agents |2 NLM | |
| 700 | 1 | |a Kadhim, Mustafa M |e verfasserin |4 aut | |
| 700 | 1 | |a Naser, Sanarya Thamer |e verfasserin |4 aut | |
| 700 | 1 | |a Majdi, Ali |e verfasserin |4 aut | |
| 700 | 1 | |a Abdullaha, Sallal A H |e verfasserin |4 aut | |
| 700 | 1 | |a Hachim, Safa K |e verfasserin |4 aut | |
| 700 | 1 | |a Abdulwahid Abdulhussain, Munthir |e verfasserin |4 aut | |
| 700 | 1 | |a Mahdi Rheima, Ahmed |e verfasserin |4 aut | |
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