DFT study of carboplatin encapsulation interactions with carboxylated carbon nanotubes and conjugated to folic acid for targeted nano delivery systems

Hani, Umme; Alsubaiyel, Amal M.; Huwaimel, Bader; Alshammari, Farhan; Alanazi, Jowaher; Alanazi, Muteb; Alharby, Tareq Nafea

doi:10.1016/j.aej.2023.03.068

Alexandria Engineering Journal

2023

DOI: 10.1016/j.aej.2023.03.068

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DFT study of carboplatin encapsulation interactions with carboxylated carbon nanotubes and conjugated to folic acid for targeted nano delivery systems

Umme Hani¹,

Amal M. Alsubaiyel²,

Bader Huwaimel³

et al.

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Cited by 9 publications

(1 citation statement)

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“…detection of SARS-CoV-2 virus spike proteins 28 , and absorption of inorganic nanoparticles Furthermore, CNTs are inflexible nonpolar candidates for encapsulation 29 which can often be absorbed by cells without detection by the body's immune system 30,31 . This could be very important for smart drug delivery applications 32,33 .…”

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confidence: 99%

A DFTB study on the electronic response of encapsulated DNA nucleobases onto chiral CNTs as a sequencer

Monavari,

Memarian

2024

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Sequencing the DNA nucleobases is essential in the diagnosis and treatment of many diseases related to human genes. In this article, the encapsulation of DNA nucleobases with some of the important synthesized chiral (7, 6), (8, 6), and (10, 8) carbon nanotubes were investigated. The structures were modeled by applying density functional theory based on tight binding method (DFTB) by considering semi-empirical basis sets. Encapsulating DNA nucleobases on the inside of CNTs caused changes in the electronic properties of the selected chiral CNTs. The results confirmed that van der Waals (vdW) interactions, π-orbitals interactions, non-bonded electron pairs, and the presence of high electronegative atoms are the key factors for these changes. The result of electronic parameters showed that among the CNTs, CNT (8, 6) is a suitable choice in sequencing guanine (G) and cytosine (C) DNA nucleobases. However, they are not able to sequence adenine (A) and thymine (T). According to the band gap energy engineering approach and absorption energy, the presence of G and C DNA nucleobases decreased the band gap energy of CNTs. Hence selected CNTs suggested as biosensor substrates for sequencing G and C DNA nucleobases.

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confidence: 99%

A DFTB study on the electronic response of encapsulated DNA nucleobases onto chiral CNTs as a sequencer

Monavari,

Memarian

2024

Sci Rep

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Study of the electrospun PVDF fibrous membrane in capturing particulate matters in smoke by the synergy between GO and CNWs

Lin,

Zhang,

Meng

et al. 2024

Chemical Engineering Journal

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Polymer mediated light responsive therapeutics delivery system to treat cancer

Kapoor,

Maheshwari,

Bag

et al. 2024

European Polymer Journal

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DFT study of carboplatin encapsulation interactions with carboxylated carbon nanotubes and conjugated to folic acid for targeted nano delivery systems

Cited by 9 publications

References 50 publications

A DFTB study on the electronic response of encapsulated DNA nucleobases onto chiral CNTs as a sequencer

A DFTB study on the electronic response of encapsulated DNA nucleobases onto chiral CNTs as a sequencer

Study of the electrospun PVDF fibrous membrane in capturing particulate matters in smoke by the synergy between GO and CNWs

Polymer mediated light responsive therapeutics delivery system to treat cancer

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