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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 120, 2022 - Issue 4
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Research Articles

The first-principles study of BC3 nanosheet as the delivery vehicle for 6-mercaptopurine drug

Yong Qina School of Mathematics and Physics, University of South China, Hengyang, People’s Republic of ChinaView further author information
,
Haiting Xua School of Mathematics and Physics, University of South China, Hengyang, People’s Republic of ChinaView further author information
,
Nan Zhoua School of Mathematics and Physics, University of South China, Hengyang, People’s Republic of ChinaView further author information
,
Xuekun Chena School of Mathematics and Physics, University of South China, Hengyang, People’s Republic of ChinaView further author information
,
Zhihua Penga School of Mathematics and Physics, University of South China, Hengyang, People’s Republic of ChinaView further author information
,
Changming Nieb School of Chemistry and Chemical Engineering, University of South China, Hengyang, People’s Republic of ChinaView further author information
,
Jie Tana School of Mathematics and Physics, University of South China, Hengyang, People’s Republic of ChinaCorrespondence[email protected] [email protected]
View further author information
&
Xijun Wua School of Mathematics and Physics, University of South China, Hengyang, People’s Republic of ChinaCorrespondence[email protected] [email protected]
ORCID Iconhttps://orcid.org/0000-0001-9576-1328View further author information
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Article: e1992522 | Received 28 Jul 2021, Accepted 08 Oct 2021, Published online: 20 Oct 2021

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Rezvan Rahimi & Mohammad Solimannejad. (2023) Covalent triazine-based monolayer with dual application in sensing and delivery of mercaptopurine anticancer drug: a periodic DFT study. Molecular Physics 121:21.
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Articles from other publishers (5)

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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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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Jean Yves Uwamungu, Anjan Kumar, Hamidreza Jouypazadeh, Bayan Azizi, Omid Pouralimardan & Esmail Vessally. (2023) An in-silico study of the adsorption of 6-mercuptopurine on pristine, Al-, and Ga-doped boron nitride nanosheets; DFT, TD-DFT, NBO, and QTAIM. Inorganic Chemistry Communications 155, pages 111045.
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Sreejith Pallikkara Chandrasekharan, Seetha Lakshmy, Gopal Sanyal, Nandakumar Kalarikkal, Ravi Trivedi & Brahmananda Chakraborty. (2023) Metal-decorated γ-graphyne as a drug transporting agent for the mercaptopurine chemotherapy drug: a DFT study. Physical Chemistry Chemical Physics 25:13, pages 9461-9471.
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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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