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Advanced nano boron nitride architectures: Synthesis, properties and emerging applications
Hexagonal boron nitride (h-BN) is an extraordinarily tough material that is chemically and
thermally resistant to extreme environments, uniquely electrically insulating yet possessing …
thermally resistant to extreme environments, uniquely electrically insulating yet possessing …
2D boron nitride material as a sensor for H2SiCl2
The utilization of 2D materials and nanostructured composites as potential sensors and
adsorbent surface for various molecular processes has increased tremendously with the …
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
Exploring diverse nanocarriers in targeted drug delivery research is vital for optimizing
therapeutic efficacy and minimizing adverse effects, thus improving treatment outcomes …
therapeutic efficacy and minimizing adverse effects, thus improving treatment outcomes …
Detection of Carbon, Sulfur, and Nitrogen Dioxide Pollutants with a 2D Ca12O12 Nanostructured Material
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 …
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
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 …
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 …
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
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) …
(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
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 …
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
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 …
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
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 …
fullerene like nanocages specifically C 24 and B 12 N 12 to explore their potential as carrier …