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[HTML][HTML] Pd doped carbon nanotubes as a drug carrier for Gemcitabine anticancer drug: DFT studies
A calculation based on density functional theory has been used to study the ability of Pd
doped armchair single-walled armchair carbon nanotubes as a drug delivery system for …
doped armchair single-walled armchair carbon nanotubes as a drug delivery system for …
DFT, DFTB and TD-DFT theoretical investigations of π-conjugated molecules based on thieno [2, 3-b] indole for dye-sensitized solar cell applications
In this study, the electrochemical, photovoltaic and absorption properties of the new
designed organic sensitizers dyes: Dye-1, Dye-2, Dye-3 and Dye-4 based on Dye-R, of D-π …
designed organic sensitizers dyes: Dye-1, Dye-2, Dye-3 and Dye-4 based on Dye-R, of D-π …
Anticancer drugs delivery and adsorption computations in pure and Stone–Wales defect armchair graphene nanoribbons
In this study, armchair graphene nanoribbons (AGNRs) and AGNRs Stone–Wales defects-
based delivery nanomaterials were developed via QuantumATK and used to deliver four …
based delivery nanomaterials were developed via QuantumATK and used to deliver four …
[HTML][HTML] Theoretical insights into tunable electronic properties of graphene quantum dots through ZnO do**
FN Ajeel, KH Mohsin, HG Shakier, SK Khamees… - Chemical Physics …, 2023 - Elsevier
Quantum dots are interesting systems because they can be tuned electronically. We used
graphene quantum dots (GQDs) known as the formula C 24 H 12 as a model for studying the …
graphene quantum dots (GQDs) known as the formula C 24 H 12 as a model for studying the …
Utilizing circumcoronene and BN circumcoronene for the delivery and adsorption of the anticancer drug floxuridine
Materials based on graphene have been increasingly exploited as drug delivery methods in
biomedicine. In this work, Circumcoronene (CC) and Boron Nitride Circumcoronene (BNCC) …
biomedicine. In this work, Circumcoronene (CC) and Boron Nitride Circumcoronene (BNCC) …
Engineering and controlling the electronic properties of zigzag and armchair boron nitride nanotubes with various concentrations of oxygen impurities
This research underscored the comprehension of the electronic properties of the various
diameters for zigzag and armchair single-wall boron nitride (ZSWBNNTs and ASWBNNTs) …
diameters for zigzag and armchair single-wall boron nitride (ZSWBNNTs and ASWBNNTs) …
Strategies on improvement of pigment formation and reduction of citrinin in Monascus fermentation
L Mou, R Pan, W Jiang, W Zhang, F **n… - Biofuels, Bioproducts …, 2023 - Wiley Online Library
Monasucs pigments, as natural food colorants, have worldwide popularity owing to their
antibacterial ability and superior coloring characteristics, as well as various applications in …
antibacterial ability and superior coloring characteristics, as well as various applications in …
Tuning the band gap in graphene nanoflakes via various impurities
TA Omeer, MH Mohammed - Nano-Structures & Nano-Objects, 2023 - Elsevier
The electronic properties of GNFs are controlled by utilizing different impurities, such as
boron, nitrogen and oxygen. The differences in the electronic properties of the pristine GNFs …
boron, nitrogen and oxygen. The differences in the electronic properties of the pristine GNFs …
The Present and Doped Bilayer Circumcoronene and Bilayer BN Circumcoronene as Carriers for Hydroxyurea Anticancer Drug Delivery
Among the low-dimensional carbon-based systems, bilayer graphene garners great interest.
In contrast to monolayer graphene, infinite bilayer graphene displays a gap in the electronic …
In contrast to monolayer graphene, infinite bilayer graphene displays a gap in the electronic …
Using of cellulose with various nanoparticles as chelating factors in nanovaccines: Density functional theory investigations
Density functional theory (DFT) calculation was carried out to understand the nature of the
interactions between Cellulose/single-wall boron nitride nanotube (Ce/SWBNNTs) …
interactions between Cellulose/single-wall boron nitride nanotube (Ce/SWBNNTs) …