[HTML][HTML] Sensing the formaldehyde pollutant by an enhanced BNC18 fullerene: DFT outlook
An enhanced boron nitrogen decorated carbon fullerene with the formula BNC 18 (BNC)
was investigated for sensing the formaldehyde (FMA) pollutant. Density functional theory …
was investigated for sensing the formaldehyde (FMA) pollutant. Density functional theory …
A sumanene-chitosan scaffold for the adsorption of niraparib anticancer: DFT insights into the drug delivery
M Nezamabadi, E Balali, M Qomi - Inorganic Chemistry Communications, 2023 - Elsevier
Two representative models of sumanene-chitosan conjugated scaffolds (SChit1 and SChit2)
were investigated for adsorbing the niraparib (Nir) anticancer substance for approaching the …
were investigated for adsorbing the niraparib (Nir) anticancer substance for approaching the …
[HTML][HTML] Metal-doped fullerenes as promising drug carriers of hydroxycarbamide anticancer: insights from density functional theory
MM Salem-Bekhit, S Al Zahrani, NA Alhabib… - Chemical Physics …, 2023 - Elsevier
Assessing an idea of metal-doped fullerenes (MF) as promising drug carriers of
hydroxycarbamide; also known as hydroxyurea,(Hyd) anticancer was done in this work by …
hydroxycarbamide; also known as hydroxyurea,(Hyd) anticancer was done in this work by …
Adsorption of Favipiravir on pristine graphene nanosheets as a drug delivery system: A DFT study
MAA Ibrahim, MHA Hamad, AHM Mahmoud… - RSC …, 2023 - pubs.rsc.org
The efficiency of pristine graphene (GN) in the delivery process of the Favipiravir (FPV) anti-
COVID-19 drug was herein revealed within the FPV⋯ GN complexes in perpendicular and …
COVID-19 drug was herein revealed within the FPV⋯ GN complexes in perpendicular and …
Molecular insights into the sensing function of an oxidized graphene flake for the adsorption of Avigan antiviral drug
RDC Pecho, N Hajali, RD Tapia-Silguera… - Computational and …, 2023 - Elsevier
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 …
Ovalene, was investigated using density functional theory calculations to provide molecular …
Computational assessments of sensing functions of an oxygen-decorated silicon carbide nanocage for the adsorption of mesalazine drug
Density functional theory (DFT) based computational assessments were done on sensing
functions of an oxygen-decorated silicon carbide (O-SiC) nanocage particle for the …
functions of an oxygen-decorated silicon carbide (O-SiC) nanocage particle for the …
Development of graphene and graphene quantum dots toward biomedical engineering applications: A review
Research on the application of graphene (G) and graphene quantum dots (GQDs) for
biomedical engineering has attracted much attention over the last decade. Graphene and its …
biomedical engineering has attracted much attention over the last decade. Graphene and its …
Moxifloxacin HCl-Incorporated Aqueous-Induced Nitrocellulose-Based In Situ Gel for Periodontal Pocket Delivery
S Senarat, C Rojviriya, K Sarunyakasitrin… - Gels, 2023 - mdpi.com
A drug delivery system based on an aqueous-induced in situ forming gel (ISG) consists of
solubilizing the drug within an organic solution of a polymer using a biocompatible organic …
solubilizing the drug within an organic solution of a polymer using a biocompatible organic …
Structural and electronic assessments of Thiamazole adsorption on the transition metal doped fullerenes as a potential smart drug delivery platform
Adsorption of Thiamazole (TZOL, a medication to treat hyperthyroidism) on the transition
metal (TM) doped fullerenes (MF) is investigated to gain insight into the potential …
metal (TM) doped fullerenes (MF) is investigated to gain insight into the potential …
Density functional theory analyses of an iron-doped nanocage for the adsorption of allopurinol drug towards the development of novel carriers
An iron-doped nanocage (FeC 22) was assessed in this work based on density functional
theory (DFT) calculations to work as a carrier of allopurinol (ALP) drug during its adsorption …
theory (DFT) calculations to work as a carrier of allopurinol (ALP) drug during its adsorption …