Effect of water-soluble fullerenes on macrophage surface ultrastructure revealed by scanning ion conductance microscopy

Hefei Ruan, Xuejie Zhang, Jinghe Yuan and Xiaohong Fang

RSC Adv., 2022, 12, 22197
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Dual catalytic activity of hexagonal Mg–Sr codoped ZnO nanocrystals for the degradation of an industrial levafix olive reactive dye under sunlight and biosensing applications

Sanakousar F. M., Vidyasagar C. C., Shikandar D. B., Mounesh, Viswanatha C. C., Gururaj Hosamani, Prakash K. and Manjunatha N. K.

React. Chem. Eng., 2023, 8, 2566
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Adsorption of drugs on B12N12 and Al12N12 nanocages

Remya Geetha Sadasivan Nair, Arun Kumar Narayanan Nair and Shuyu Sun

RSC Adv., 2024, 14, 31756
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Long-circulating gambogic acid-loaded nanodiamond composite nanosystem with inhibition of cell migration for tumor therapy

Shanshan Liu, Yujia Xu, Jianfeng Wang, Xuemin Wang, Shaokang Guan and Tao Zhang

Journal of Colloid and Interface Science, 2023, 646, 732
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Molecular modeling of B24O24 scaffolds for the electrochemical sensing and detection of nitrosourea and hydroxyurea drugs: Insight from DFT calculations

Munazza Idrees, Muhammad Usman Khan, Junaid Yaqoob, Maria Liaqat, Minahil Ishtiaq, Abida Anwar, Abrar Ul Hassan and Saad M. Alshehri

Mod. Phys. Lett. B, 2025, 39
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Theoretical investigation on the adsorption behaviour of tyramine neurotransmitter onto B12N12 nanocage

Tarun Yadav, Mousumi Biswas, Ehsan Shakerzadeh, Suraj Goswami, Dileep Kumar Gupta, Anchit Modi, Chandra Chakraborty, Shyam S. Das, Somenath Garai and V. Vetrivelan

Diamond and Related Materials, 2025, 157, 112479
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Efficient delivery of anticancer 5-fluorouracil drug by alkaline earth metal functionalized porphyrin-like porous fullerenes: A DFT study

Mehdi D. Esrafili and Mahtab Kadri

Journal of Molecular Graphics and Modelling, 2023, 120, 108403
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Recent Development of Nano-Carbon Material in Pharmaceutical Application: A Review

Prastika K. Jiwanti, Brasstira Y. Wardhana, Laurencia G. Sutanto, Diva Meisya Maulina Dewi, Ilmanda Zalzabhila Danistya Putri and Ilmi Nur Indira Savitri

Molecules, 2022, 27, 7578
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Exploring the potential of metalloporphyrin-like C54N4 fullerene (TM-PC60F) nanoclusters as new drug delivery platform for 5-fluorouracil: A DFT and QTAIM study

Lala Adetia Marlina, Aulia Sukma Hutama, Ihsanul Arief, Maulida Mazaya, Inna Syafarina and Wahyu Dita Saputri

Diamond and Related Materials, 2024, 147, 111267
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Density Functional Study of the adsorption behavior of 6-mercaptopurine on Primary, Si, Al and Ti doped C60 fullerenes

ShiQuan Wu, LiMin Lu, Li Li, QiQi Liang, HuaXu Gao, XianHao Zhao, DeYuan Hu, TianYu Tang and YanLin Tang

Chemical Physics Letters, 2022, 804, 139910
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Carbonaceous Nanocomposites for Biomedical Applications as High-Drug Loading Nanocarriers for Sustained Delivery: A Review

Bo Sun, Weijun Wang and Mohini Sain

J. Compos. Sci., 2022, 6, 379
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Covalent triazine-based monolayer with dual application in sensing and delivery of mercaptopurine anticancer drug: a periodic DFT study

Rezvan Rahimi and Mohammad Solimannejad

Molecular Physics, 2023, 121
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DFT study of the therapeutic potential of borospherene and metalloborospherenes as a new drug-delivery system for the 5-fluorouracil anticancer drug

S. Abdel Aal

Journal of Molecular Liquids, 2022, 360, 119457
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Modeling of pristine, Ir- and Au-decorated C60 fullerenes as sensors for detection of hydroxyurea and nitrosourea drugs

Goodness J. Ogunwale, Hitler Louis, Terkumbur E. Gber and Adedapo S. Adeyinka

Journal of Environmental Chemical Engineering, 2022, 10, 108802
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Adsorption of 40 low molecular weight drugs on pristine and fluorinated C60 fullerenes: Ab initio, statistical and neural networks analysis

Elizaveta B. Kalika, Nikolay V. Bondarev, Konstantin P. Katin, Alexey I. Kochaev, Anastasiya A. Grekova, Savas Kaya, Yusupbek A. Bauetdinov and Mikhail M. Maslov

Journal of Molecular Liquids, 2023, 377, 121559
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Structural, electronic, nonlinear optical properties and spectroscopic study of noble metals doped C60 fullerene using M06-2X

Chaima Basma Remougui, Nawal Brahimi, Hayet Moumeni and Abderrafik Nemamcha

Computational and Theoretical Chemistry, 2023, 1224, 114114
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Ni-modified boron nitride nanocones as nonlinear optical active drug carriers, a DFT study

Maryam Souri

Opt Quant Electron, 2024, 56
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Unveiling the Carbon Nitride (C24 N24) Nanocage as a Rapid and Selective Electrochemical Sensor for Chemotherapeutic Agents Hydroxyurea and Nitrosourea: A DFT Study

Minahil Ishtiaq, Muhammad Usman Khan, Maria Liaqat, Munazza Idrees, Mohamed A. El-Tayeb and Mahmoud A. A. Ibrahim

J. Comput. Biophys. Chem., 2025, 24, 1099
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In silico study of B3O3 nanosheet as a disposable platform for sensing and delivery of carmustine anticancer drug

Rezvan Rahimi and Mohammad Solimannejad

Journal of Drug Delivery Science and Technology, 2023, 87, 104828
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A DFT study of sulforaphane adsorption on the group III nitrides (B12N12, Al12N12 and Ga12N12) nanocages

ShiQuan Wu, Li Li, QiQi Liang, HuaXu Gao, TianYu Tang and YanLin Tang

Journal of Biomolecular Structure and Dynamics, 2024, 42, 12730
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A density-functional theory study of the interaction of rimantadine drug molecule with X-doped fullerene (X = B, Al, Ga, Si, Ge, BN, AlN, GaN, SiN, GeN)

Bambang Kristiawan, Yosephine Novita Apriati, Ari Dwi Nugraheni and Sholihun Sholihun

Adv. Nat. Sci: Nanosci. Nanotechnol., 2024, 15, 045017
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DFT and Molecular Simulation Study of Gold Clusters as Effective Drug Delivery Systems for 5-Fluorouracil Anticancer Drug

Faezeh Ghazali, Sharieh Hosseini and Sepideh Ketabi

J Clust Sci, 2023, 34, 1499
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