Theoretical study of encapsulation of Floxuridine anticancer drug into BN (9,9-7) nanotube for medical application

Ghahremani, Sahar; Samadizadeh, Marjaneh; Khaleghian, Mehrnoosh; Shiraz, Nader Zabarjad

doi:10.1080/10426507.2019.1687479

Cited by 16 publications

(5 citation statements)

References 60 publications

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“…One of the key challenges of nanocarriers is to encapsulate and release the drug in a nanoparticular form without any chemical modifications at the proper site [16]. BNNT is a high inner volume nanocarrier that encapsulates more drugs and allows them to penetrate open ends [17]. The BNNTs are non-cytotoxic compared to carbon nanotubes (CNTs), with their large bandgap and the independence of electronic properties from the nanotube diameter, which is very chemically stable [18].…”

Section: Introductionmentioning

confidence: 99%

Boron Nitride Nanotubes for Curcumin Delivery as an Anticancer Drug: A DFT Investigation

et al. 2022

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The electrical properties and characteristics of the armchair boron nitride nanotube (BNNT) that interacts with the curcumin molecule as an anticancer drug were studied using ab initio calculations based on density functional theory (DFT). In this study, a (5,5) armchair BNNT was employed, and two different interactions were investigated, including the interaction of the curcumin molecule with the outer and inner surfaces of the BNNT. The adsorption of curcumin molecules on the investigated BNNT inside the surface is a more favorable process than adsorption on the outside surface, and the more persistent and stronger connection correlates with curcumin molecule adsorption in this case. Furthermore, analysis of the HOMO–LUMO gap after the adsorption process showed that the HOMO value increased marginally while the LUMO value decreased dramatically in the curcumin-BNNT complexes. As a result, the energy gaps between HOMO and LUMO (Eg) are narrowed, emphasizing the stronger intermolecular bonds. As a result, BNNTs can be employed as a drug carrier in biological systems to transport curcumin, an anticancer medication, and thereby improve its bioavailability.

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Section: Introductionmentioning

confidence: 99%

Boron Nitride Nanotubes for Curcumin Delivery as an Anticancer Drug: A DFT Investigation

et al. 2022

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“…The lightweight yet robust nature of BNNTs, combined with their high neutron attenuation efficiency, make them ideal candidates for protecting spacecraft and astronauts from cosmic radiation. 68,69 Additionally, the potential of BNNTs in medical applications, 22,[70][71][72][73][74][75][76][77][78] particularly in Boron Neutron Capture Therapy (BNCT), for cancer treatment was explored. 70,[79][80][81][82] BNCT leverages the high neutron capture cross-section of boron-10 (3835 barns 26 ) in BNNTs to selectively target and destroy cancer cells, thereby presenting a novel approach in oncology.…”

Section: Dongsu Baementioning

confidence: 99%

Growth methodologies of boron nitride nanotubes and their neutron shielding applications: a review

Bae,

Lee,

Kim

2024

Nanoscale

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“…The theoretical results showed that the interaction between drugs and BNNTs was energetically favorable due to van der Waals interaction. This study helped to understand the interaction between drug molecules and BNNTs to develop drug delivery carriers by using BNNTs [110].…”

Section: Use Of Bnnts In Biomedical Applicationsmentioning

confidence: 99%

Properties and applications of boron nitride nanotubes

et al. 2022

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Nanomaterials have received increasing attention due to their controllable physical and chemical properties and their improved performance over their bulk structures during the last years. Carbon nanostructures are one of the most widely searched materials for use in different applications ranging from electronic to biomedical because of their exceptional physical and chemical properties. However, BN nanostructures surpassed the attention of the carbon-based nanostructure because of their enhanced thermal and chemical stabilities in addition to structural similarity with the carbon nanomaterials. Among these nanostructures, one dimensional-BN nanostructures are on the verge of development as new materials to fulfill some necessities for different application areas based on their excellent and unique properties including their tunable surface and bandgap, electronic, optical, mechanical, thermal and chemical stability. Synthesis of high quality boron nitride nanotubes (BNNTs) in large quantities with novel techniques provided greater access, and increased their potential use in nanocomposites, biomedical fields and nanodevices as well as hydrogen uptake applications. In this review, properties and applications of one-dimensional BN (1D) nanotubes, nanofibers and nanorods in hydrogen uptake, biomedical field and nanodevices are discussed in depth. Additionally, research on native and modified forms of BNNTs and also their composites with different materials to further improve electronic, optical, structural, mechanical, chemical and biological properties are also reviewed. BNNTs find many applications in different areas, however, they still need to be further studied for improving the synthesis methods and finding new possible future applications.

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Theoretical study of encapsulation of Floxuridine anticancer drug into BN (9,9-7) nanotube for medical application

Cited by 16 publications

References 60 publications

Boron Nitride Nanotubes for Curcumin Delivery as an Anticancer Drug: A DFT Investigation

Boron Nitride Nanotubes for Curcumin Delivery as an Anticancer Drug: A DFT Investigation

Growth methodologies of boron nitride nanotubes and their neutron shielding applications: a review

Properties and applications of boron nitride nanotubes

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