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 …
[HTML][HTML] Investigating the potential of thiazolyl carbohydrazides derivatives as anti-Candida albicans agents: an intuition from molecular modelling, pharmacokinetic …
I Benjamin, CU Benson, SA Adalikwu, FA Nduoma… - Chemical Physics …, 2023 - Elsevier
With increasing incidences of antifungal resistance, biofilm formation, and its predilection for
vulnerable populations, Candida albicans have been reported to cause a wide range of …
vulnerable populations, Candida albicans have been reported to cause a wide range of …
Spectroscopic characterization, polar solvation effects, DFT studies, and the antiviral inhibitory potency of a novel terpolymer based on p-Phenylenediamine …
N Mujafarkani, MA Ojong, AJ Ahamed… - Journal of Molecular …, 2023 - Elsevier
This study articulates the synthesis, spectroscopic characterization, solvation effects,
theoretical calculations, and molecular docking analysis of a novel p-Phenylenediamine …
theoretical calculations, and molecular docking analysis of a novel p-Phenylenediamine …
Molecular simulation of Cu, Ag, and Au-decorated Si-doped graphene quantum dots (Si@ QD) nanostructured as sensors for SO2 trapping
H Louis, K Chukwuemeka, EC Agwamba… - Journal of Molecular …, 2023 - Elsevier
In view of the numerous environmental hazards and health challenges linked to sulfur (iv)
oxide (SO 2), an indirect greenhouse gas, and the resultant need to develop efficient gas …
oxide (SO 2), an indirect greenhouse gas, and the resultant need to develop efficient gas …
Antibacterial potential of trihydroxycyclohexa-2, 4-diene-1-carboxylic acid: Insight from DFT, molecular docking, and molecular dynamic simulation
Abstract In this study,(z)-5-((3-(2, 3-dihydroxyphenyl) acryloyl) oxy)-1, 3, 4-
trihydroxycyclohexa-2, 4-diene-1-carboxylic acid (chlorogenic acid) was isolated and …
trihydroxycyclohexa-2, 4-diene-1-carboxylic acid (chlorogenic acid) was isolated and …
RETRACTED ARTICLE: Single-atoms (N, P, S) encapsulation of Ni-doped graphene/PEDOT hybrid materials as sensors for H2S gas applications: intuition from …
I Benjamin, H Louis, FO Ogungbemiro… - Scientific Reports, 2023 - nature.com
This comprehensive study was dedicated to augmenting the sensing capabilities of Ni@
GP_PEDOT@ H2S through the strategic functionalization with nitrogen, phosphorus, and …
GP_PEDOT@ H2S through the strategic functionalization with nitrogen, phosphorus, and …
Effect of solvation on the molecular structure, vibrational assignment, nature of bonding, and the antiviral drug-like potential of troxerutin against HBV proteins
Drugs used in the management of Hepatitis B virus (HBV) infection are largely based on
nucleosides or their analogues and these have several side-effects. These drugs only inhibit …
nucleosides or their analogues and these have several side-effects. These drugs only inhibit …
Investigation of the Anti-Plasmodial Properties of N-2-Oxo Pyrrolidine Pentanamide-Based Sulfonamides: Experimental and Theoretical Approach
The study aimed to investigate novel pyrrolidine-pentanamide derivatives of sulfonamides
as potential anti-malaria agents through a comprehensive approach involving experimental …
as potential anti-malaria agents through a comprehensive approach involving experimental …
Effect of geometric isomerism on the anticancer property of new platinum complexes with glycine derivatives as asymmetric N, O donate ligands against human cancer
D Kadivar, ME Moghadam, B Notash - Spectrochimica Acta Part A …, 2024 - Elsevier
In this project, to fallow the anticancer ability of new Pt drugs, several new Pt complexes
were synthesized with the asymmetric bidentate glycine derivatives, as named propyl-and …
were synthesized with the asymmetric bidentate glycine derivatives, as named propyl-and …
DFT perspective of gas sensing properties of metal oxide nanocages toward trimethylamine: Effects of humidity, temperature and electric field
Y Li, J Sun, C Jiang, X Yan - Materials Today Sustainability, 2024 - Elsevier
Developing highly efficient sensitive materials for detecting trimethylamine gas is crucial for
analyzing food quality and protecting human health. In this paper, the adsorption and …
analyzing food quality and protecting human health. In this paper, the adsorption and …