ZnO nanostructures–Future frontiers in photocatalysis, solar cells, sensing, supercapacitor, fingerprint technologies, toxicity, and clinical diagnostics
Zinc is the most abundant and broadly studied metal oxide semiconductor. Its photophysical
properties include optical, electrical, magnetic, catalytic, sensing, energy storage …
properties include optical, electrical, magnetic, catalytic, sensing, energy storage …
Molecular modeling of the structural, electronic, excited state dynamic, and the photovoltaic properties of the oligomers of n-corannulene (n= 1–4)
Despite the fact that n-corannulene oligomers (n= 1–4) have a variety of electronic and
optical properties, including the ability to be tuned and the potential to be used as light …
optical properties, including the ability to be tuned and the potential to be used as light …
Investigating the potential use of (ZnO) 60 nanoparticle as drug delivery system for chloroquine, hydroxychloroquine, favipiravir, and remdesivir
This study delves into the potential use of (ZnO) 60 nanoparticle (NP) as a drug delivery
system for chloroquine (CQ), hydroxychloroquine (HC), favipiravir (F), and remdesivir (R) …
system for chloroquine (CQ), hydroxychloroquine (HC), favipiravir (F), and remdesivir (R) …
Sulfur doping concentration effect on the electronic and structural properties of ZnO nanoparticles: Insights from DFTB calculations
M Kurban - Computational and Theoretical Chemistry, 2023 - Elsevier
The structural and energetic features of sulfur-doped ZnO nanoparticles (NPs) were studied
using DFTB approach. The cohesive energy reveals that lower sulfur concentration causes …
using DFTB approach. The cohesive energy reveals that lower sulfur concentration causes …
Unveiling regularities of B12N12-X nanocages as a drug delivery vehicle for the nitrosourea: the influence of periods and groups
Y Zhang, Y Luo, L Tang, E Mingyan, J Hu - Journal of Molecular Liquids, 2024 - Elsevier
Cancer treatment has long been a topic of interest and the use of small molecule targeted
drugs has highlighted the potential of nanomaterials as carriers for reducing drug side …
drugs has highlighted the potential of nanomaterials as carriers for reducing drug side …
The ability of C70 doped nanocage to identify the metronidazole drug: Electronic study via DFT
RS Zabibah, AA Hashim, SMH Kamona, M Adil… - Computational and …, 2024 - Elsevier
The geometrical and electronic structures of adsorption of metronidazole on C 70 fullerenes
have been examined utilizing DFT. It is significant to note that the electrical conductivity of …
have been examined utilizing DFT. It is significant to note that the electrical conductivity of …
GeSe nanoclusters as potential drug delivery agent for anti-cancer drugs: First-principles study
For effective drug delivery, a drug carrier that is biocompatible, antitoxic, and appropriate for
drug loading/release is required. Here, GeSe nanoclusters are investigated as potential …
drug loading/release is required. Here, GeSe nanoclusters are investigated as potential …
Investigation of the adsorption and sensor properties of resorcinol (RSL) on X9N9 (X= Al, B, Ga, In) nanorings by DFT and QTAIM analysis with solvent effects
JS Al-Otaibi, YS Mary, YS Mary, JNC Mishma… - Journal of Molecular …, 2024 - Elsevier
De-aromative oxygenation of resorcinol is recognized as an important process that produces
a variety of bioactive chemicals. Hence, we evaluated the sensing application by utilizing …
a variety of bioactive chemicals. Hence, we evaluated the sensing application by utilizing …
Investigation of transition metals (Ag, Au, Pd, Pt and Ru)-doped boron nitride nanocarrier for drug delivery process of favipiravir: An intuition from DFT
MA Matin, M Alauddin, MM Islam - Journal of Molecular Liquids, 2024 - Elsevier
The scientific community is keenly interested in developing efficient drug delivery systems
using B 12 N 12, particularly for carrying anti-influenza drugs like Favipiravir (FAV) against …
using B 12 N 12, particularly for carrying anti-influenza drugs like Favipiravir (FAV) against …
A comprehensive study of experimental and theoretical characterization and in silico toxicity analysis of new molecules
N Çankaya, MH Kebiroğlu… - Drug and Chemical …, 2024 - Taylor & Francis
In this study, for the first time in the literature, a 2-(3-methoxyphenylamino)-2-oxoethyl
acrylate (3MPAEA) molecule was synthesized in two steps, and a 2-chloro-N-(3 …
acrylate (3MPAEA) molecule was synthesized in two steps, and a 2-chloro-N-(3 …