Influence of anionic species on the molecular structure, nature of bonding, reactivity, and stability of ionic liquids-based on 1-butyl-3-methylimidazolium
The unique physicochemical properties of ionic liquids (ILs) have positioned them as a
significant class of solvents, making them a subject of considerable interest. In this …
significant class of solvents, making them a subject of considerable interest. In this …
Adsorption properties of metal functionalized fullerene (C59Au, C59Hf, C59Ag, and C59Ir) nanoclusters for application as a biosensor for hydroxyurea (HXU) …
This theoretical study was conducted to evaluate the efficiency of fullerene C60 and its metal
functionalized nano clusters (C59Au, C59Hf, C59Ag and C59Ir) as a sensor for hydroxyurea …
functionalized nano clusters (C59Au, C59Hf, C59Ag and C59Ir) as a sensor for hydroxyurea …
Transition Metal-Decorated B12N12–X (X = Au, Cu, Ni, Os, Pt, and Zn) Nanoclusters as Biosensors for Carboplatin
Theoretical studies on the adsorption, sensibility, and reactivity of a boron nitride nanocage
decorated with Au, Cu, Ni, Os, Pt, and Zn metals as a biosensor material were carried out for …
decorated with Au, Cu, Ni, Os, Pt, and Zn metals as a biosensor material were carried out for …
[HTML][HTML] Computational design and molecular modeling of the interaction of nicotinic acid hydrazide nickel-based complexes with H 2 S gas
The application of nickel complexes of nicotinic acid hydrazide ligand as a potential gas-
sensor and adsorbent material for H2S gas was examined using appropriate density …
sensor and adsorbent material for H2S gas was examined using appropriate density …
[HTML][HTML] Metals (Ga, In) decorated fullerenes as nanosensors for the adsorption of 2, 2-dichlorovinyldimethylphosphate agrochemical based pollutant
Owing to the fact that the use of 2, 2-dichlorovinyldimethylphosphate (DDVP) as an
agrochemical has become a matter of concern due to its persistence and potential harm to …
agrochemical has become a matter of concern due to its persistence and potential harm to …
Heteroatom (B, N, P, and S)-doped cyclodextrin as a hydroxyurea (HU) drug nanocarrier: a computational approach
LE Afahanam, H Louis, I Benjamin, TE Gber, IJ Ikot… - ACS …, 2023 - ACS Publications
Theoretical examination of hydroxyurea adsorption capabilities toward the cyclodextrin
surface for proper drug delivery systems was carried out utilizing DFT simulations. The study …
surface for proper drug delivery systems was carried out utilizing DFT simulations. The study …
Insights into in-vitro studies and molecular modelling of the antimicrobial efficiency of 4-chlorobenzaldehyde and 4-methoxybenzaldehyde derivatives
MAF Mohamed, I Benjamin, GA Okon… - Journal of …, 2023 - Taylor & Francis
Owing to the significant gap in the knowledge and understanding of the mechanisms of
antimicrobial action and the development of resistance, the optimization of antimicrobial …
antimicrobial action and the development of resistance, the optimization of antimicrobial …
Therapeutic Potential of B12N12-X (X = Au, Os, and Pt) Nanostructured as Effective Fluorouracil (5Fu) Drug Delivery Materials
In view of the research-substantiated comparative efficiency of nontoxic and bioavailable
nanomaterials synergic with human systems for drug delivery, this work was aimed at …
nanomaterials synergic with human systems for drug delivery, this work was aimed at …
Density functional theory (DFT) computation of pristine and metal-doped MC59 (M= Au, Hf, Hg, Ir) fullerenes as nitrosourea drug delivery systems
In recent times, C 60 fullerene and its derivatives have drawn increasing attention in
nanomedicine due to their bioavailability and low toxicity. Herein, we investigated the …
nanomedicine due to their bioavailability and low toxicity. Herein, we investigated the …
Hydrogen storage capacity of Al, Ca, Mg, Ni, and Zn decorated phosphorus-doped graphene: Insight from theoretical calculations
IJ Ikot, PO Olagoke, H Louis, DE Charlie… - International Journal of …, 2023 - Elsevier
In this work, adsorption of molecular hydrogen on five different metals: Aluminum, Calcium,
Magnesium, Nickel and Zinc decorated phosphorus-doped graphene have been …
Magnesium, Nickel and Zinc decorated phosphorus-doped graphene have been …