Dental decay is known in the world as the most common human infectious disease.
Ascending process of dental caries index in the world shows the failure of oral disease …

Quantum chemical density functional theory (DFT) calculations were performed to examine
features of metal-doped graphene (MG) models for adsorbing the popular ibuprofen (IBU) …

In the present paper, pure and silver-doped zinc oxide (Ag-doped ZnO) nanoparticles were
prepared using a green route and employing Salvadora persica leaf extract. Antibacterial …

Two representative models of sumanene-chitosan conjugated scaffolds (SChit1 and SChit2)
were investigated for adsorbing the niraparib (Nir) anticancer substance for approaching the …

Sensing functions of an iron (Fe)-doped boron nitride nanocone (FBN) were investigated
towards acetaminophen (ACM) and its thio/thiol analogs by performing density functional …

High-power density supercapacitors and high-energy–density batteries have gotten a lot of
interest since they are critical for the power supply of future electric cars, portable electronic …

The Avigan antiviral drug adsorption by an oxidized form of a graphene flake; so called
Ovalene, was investigated using density functional theory calculations to provide molecular …

Density functional theory (DFT) based computational assessments were done on sensing
functions of an oxygen-decorated silicon carbide (O-SiC) nanocage particle for the …

The current work was done to assess the sensing functions of oxidized forms of carbon (OC),
silicon (OSi), and silicon‑carbon (OSiC) nanocages towards the amantadine (AMN) drug …

Abstract Purinethol of (mercaptopurine)(PU) anticancer drug delivery was analyzed by the
assistance of metal doped nanocones (MN) using density functional theory (DFT) …