Advanced nano boron nitride architectures: Synthesis, properties and emerging applications

RY Tay, H Li, H Wang, J Lin, ZK Ng, R Shivakumar… - Nano Today, 2023 - Elsevier
Hexagonal boron nitride (h-BN) is an extraordinarily tough material that is chemically and
thermally resistant to extreme environments, uniquely electrically insulating yet possessing …

2D boron nitride material as a sensor for H2SiCl2

MD Mohammadi, HY Abdullah, H Louis… - Computational and …, 2022 - Elsevier
The utilization of 2D materials and nanostructured composites as potential sensors and
adsorbent surface for various molecular processes has increased tremendously with the …

Exploring boron nitride nanotubes as potential drug delivery vehicles using density functional theory and molecular dynamics–An overview

AB Krishna, S Arjun, R Vamadevan, JS Babu - Journal of Molecular Liquids, 2024 - Elsevier
Exploring diverse nanocarriers in targeted drug delivery research is vital for optimizing
therapeutic efficacy and minimizing adverse effects, thus improving treatment outcomes …

Detection of Carbon, Sulfur, and Nitrogen Dioxide Pollutants with a 2D Ca12O12 Nanostructured Material

H Louis, TGC Egemonye, TO Unimuke, BE Inah… - ACS …, 2022 - ACS Publications
In recent times, nanomaterials have been applied for the detection and sensing of toxic
gases in the environment owing to their large surface-to-volume ratio and efficiency. CO2 is …

A DFT approach for finding therapeutic potential of graphyne as a nanocarrier in the doxorubicin drug delivery to treat cancer

M Perveen, L Noreen, M Waqas, RF Mehmood… - Journal of Molecular …, 2023 - Elsevier
In the present work, the drug-loading efficacy of graphyne (GYN) for doxorubicin (DOX) drug
is investigated for the first time by using density functional theory (DFT). Doxorubicin drug is …

Investigation of drug delivery capability of single-walled carbon and boron-nitride nanotubes, boron-nitride (B16N16), and C32 fullerenes as nanocarriers of captopril …

K Mehdizadeh, F Toiserkani, MJ Khodabakhshi… - Diamond and Related …, 2024 - Elsevier
Density functional theory (DFT) calculations were performed on M062X/6-31G (d) and
M062X/6-311G (d, p) surfaces to investigate the interaction of captopril molecules with …

Density functional theory assessments of an iron-doped graphene platform towards the hydrea anticancer drug delivery

MJ Saadh, M Mirzaei, SM Dhiaa, LSR Hosseini… - Diamond and Related …, 2024 - Elsevier
Customizing an iron-enhanced graphene (FEGR) platform for the drug delivery of hydrea
(HYD) anticancer was investigated in this work along with density functional theory (DFT) …

Theoretical investigation on the therapeutic applications of C2B and C2O as targeted drug delivery systems for hydroxyurea and 6-thioguanine in cancer treatment

AM Khudhair, AB Ahmed, FN Ajeel… - Nano-Structures & Nano …, 2024 - Elsevier
This study employs density functional theory (DFT) calculations to examine the potential of C
2 B and C 2 O substrates as drug carrier frameworks for 6-thioguanine (6-TG) and …

A comparative DFT study of borophene as a promising drug delivery vehicle for carmustine and nitrosourea anti-cancer drugs

S Khalid, A Naeem, SS Alarfaji, M Gul, MI Khan - Chemical Physics Letters, 2024 - Elsevier
Various techniques have been devised so far to enhance cancer treatment efficacy and
address drug conflicts. We explored Borophene (B 36) as a nanocarrier for the anti-cancer …

Interaction of a synthetic bio-relevant drug-molecule with C24 and B12N12 fullerene: A first-principles quantum chemical investigation

AK Vishwkarma, T Yadav, A Pathak… - Diamond and Related …, 2023 - Elsevier
This research deals with the interaction of a synthetic bio-relevant drug-molecule with
fullerene like nanocages specifically C 24 and B 12 N 12 to explore their potential as carrier …