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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 118, 2020 - Issue 13
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Research Articles

Effect of metal atoms on the electronic properties of metal oxide nanoclusters for use in drug delivery applications: a density functional theory study

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Article: e1692150 | Received 02 Sep 2019, Accepted 03 Nov 2019, Published online: 21 Nov 2019

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Read on this site (7)

Riyadh Ahmed Atto Al-Shuaeeb, H.R. Abd El-Mageed, Shimaa A. Ahmed, Hussein S. Mohamed, Zeinab S. Hamza, Md. Oliullah Rafi & Md. Shahedur Rahman. (2023) Identification of potent COVID-19 main protease inhibitors by loading of favipiravir on Mg12O12 and Zn12O12 nanoclusters: an in silico strategy for COVID-19 treatment. Journal of Biomolecular Structure and Dynamics 41:21, pages 11437-11449.
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Yongqiu Liu, Chao Liu & Ajit Kumar. (2020) A selective NO sensor based on the semiconducting BC2N nanotubes: a computational study. Molecular Physics 118:24.
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Sun Qian, Gong Chang, Li Peibo & J. Zhao. (2020) Isoniazid drug adsorption on the pristine and Al-doped zinc oxide nanosheets: a molecular modeling. Molecular Physics 118:18.
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Articles from other publishers (18)

Rezvan Rahimi & Mohammad Solimannejad. (2024) A novel pentagonal BCN monolayer for sensing and drug delivery of nitrosourea and hydroxyurea anticancer drugs: A DFT outlook. Materials Science in Semiconductor Processing 173, pages 108109.
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Yuanchao Li, Jing Sun, Cuijuan Jiang & Xiliang Yan. (2024) DFT perspective of gas sensing properties of metal oxide nanocages toward trimethylamine: Effects of humidity, temperature and electric field. Materials Today Sustainability 25, pages 100668.
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ShiQuan Wu, Li Li, QiQi Liang, HuaXu Gao, TianYu Tang & YanLin Tang. (2024) A DFT study of sulforaphane adsorbed on M12O12(M=Be, Mg and Ca) nanocages. Materials Today Communications 38, pages 107687.
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S. Kumaran, V. Vetrivelan, S. Muthu & Abdulaziz A. Al-Saadi. (2024) Computational analysis of anti-cancer drug hydroxyurea adsorption on nanocages of gold, silver and copper: SERS and DFT assessment. Heliyon 10:5, pages e24475.
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Linda W. Oktavia, Didier Bégué, Patricia Targon Campana & Roger C. Hiorns. (2023) Review: Syntheses of poly(lactic acid)s and their block copolymers for drug delivery applications. Polymer International 72:10, pages 881-898.
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Rezvan Rahimi & Mohammad Solimannejad. (2023) In silico study of B3O3 nanosheet as a disposable platform for sensing and delivery of carmustine anticancer drug. Journal of Drug Delivery Science and Technology 87, pages 104828.
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Jamelah S. Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Asmita Mondal, Nivedita Acharjee & Jineetkumar Gawad. (2023) Insights on adsorption properties of a DNA base, guanine on nano metal cages (Ag24/Au24/Cu24): DFT, SERS, NCI and solvent effects. Journal of Molecular Structure 1285, pages 135541.
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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. (2023) Interaction of 5-Fluorouracil on the Surfaces of Pristine and Functionalized Ca 12 O 12 Nanocages: An Intuition from DFT . ACS Omega 8:15, pages 13551-13568.
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Mustafa M. Kadhim, Taleeb Zedan Taban, Sallalh Ahmed Abdullaha, N. Alnasoud, Safa K. Hachim & S. Alomar. (2023) Application of zinc oxide nano-tube as drug-delivery vehicles of anticancer drug. Journal of Molecular Modeling 29:2.
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Saade Abdalkareem Jasim, Akram H. Shather, Taif Alawsi, Andrés Alexis Ramírez-Coronel, Ahmed B. Mahdi, Mukhiddin Normatov, Maria Jade Catalan Opulencia & Farid Kamali. (2022) Adsorption properties of B12N12, AlB11N12, and GaB11N12 nanostructure in gas and solvent phase for phenytoin detecting: A DFT study. Inorganic Chemistry Communications 146, pages 110158.
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Rezvan Rahimi, Mohammad Solimannejad & Mostafa Soleimannejad. (2022) Two-dimensionalcovalent triazine frameworks as superior nanocarriers for the delivery of thioguanine anti-cancer drugs: a periodic DFT study. New Journal of Chemistry 46:32, pages 15635-15644.
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Salman Khursheed, Sartaj Tabassum & Farukh Arjmand. (2022) Comprehensive biological {DNA/RNA binding profile, cleavage &cytotoxicity activity} of structurally well-characterized chromone-appended Cu(II)(L1-3)(phen) potential anticancer drug candidates. Polyhedron 214, pages 115638.
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Nabo Sun, Mohammad Javed Ansari, Andrew Ng Kay Lup, Masoud Javan, Alireza Soltani, Seyed Reza Khandoozi, Ali Arian Nia, Samaneh Tavassoli, Md Lutfor Rahman, Mohd Sani Sarjadi, Shaheen M. Sarkar, Chia-Hung Su & Hoang Chinh Nguyen. (2022) Improved anti-inflammatory and anticancer properties of celecoxib loaded zinc oxide and magnesium oxide nanoclusters: A molecular docking and density functional theory simulation. Arabian Journal of Chemistry 15:2, pages 103568.
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Rezvan Rahimi, Mohammad Solimannejad & Zeynab Ehsanfar. (2021) First-principles studies on two-dimensional B3O3 adsorbent as a potential drug delivery platform for TEPA anticancer drug. Journal of Molecular Modeling 27:12.
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Wei Li & Tinghu Zhao. (2021) Hydroxyurea anticancer drug adsorption on the pristine and doped C70 fullerene as potential carriers for drug delivery. Journal of Molecular Liquids 340, pages 117226.
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Shahid Hussain, Shahzad Ali Shahid Chatha, Abdullah Ijaz Hussain, Riaz Hussain, Muhammad Yasir Mehboob, Asim Mansha, Nabeel Shahzad & Khurshid Ayub. (2021) A Theoretical Framework of Zinc-Decorated Inorganic Mg 12 O 12 Nanoclusters for Efficient COCl 2 Adsorption: A Step Forward toward the Development of COCl 2 Sensing Materials . ACS Omega 6:30, pages 19435-19444.
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Miguel Reina, Christian A. Celaya & Jesús Muñiz. (2021) C 36 and C 35 E (E=N and B) Fullerenes as Potential Nanovehicles for Neuroprotective Drugs: A Comparative DFT Study . ChemistrySelect 6:19, pages 4844-4858.
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Peng Wang, Ge Yan, Xiaodong Zhu, Yingying Du, Da Chen & Jinjuan Zhang. (2021) Heterofullerene MC59 (M = B, Si, Al) as Potential Carriers for Hydroxyurea Drug Delivery. Nanomaterials 11:1, pages 115.
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