Antimicrobial activity of guanidine-based terpolymers: Synthesis, Spectroscopy (FT-IR, 1H, and 13C NMR), Quantum chemical investigation, and molecular docking
N Mujafarkani, DC Agurokpon, RA Hussien… - Journal of Molecular …, 2024 - Elsevier
This study presents a comprehensive assessment of the antimicrobial efficacy of a
Guanidine-Based Terpolymer (DGF) utilizing a blend of experimental and theoretical …
Guanidine-Based Terpolymer (DGF) utilizing a blend of experimental and theoretical …
[HTML][HTML] Impact of polar (DMSO, ethanol, water) solvation on geometry, spectroscopy (FT-IR, UV, NMR), quantum chemical parameters, and the antifungal activities of …
Due to their ubiquity and the rise of drug-resistant forms, Candida albicans infections pose a
serious threat to world health. Exploring new molecular possibilities is essential in order to …
serious threat to world health. Exploring new molecular possibilities is essential in order to …
Advances on Carbon Nanomaterials and Their Applications in Medical Diagnosis and Drug Delivery
G Paramasivam, VV Palem, S Meenakshy… - Colloids and Surfaces B …, 2024 - Elsevier
Carbon nanomaterials are indispensable due to their unique properties of high electrical
conductivity, mechanical strength and thermal stability, which makes them important …
conductivity, mechanical strength and thermal stability, which makes them important …
Deciphering non-covalent binding mechanism of olive biophenolic secoiridoids interaction with β-lactoglobulin: Multi-spectroscopies, thermodynamics, molecular …
P Xie, X Wang, Y Deng, C Zhang, Y Zhang, L Huang - Food Hydrocolloids, 2025 - Elsevier
The non-covalent binding mechanism between β-lactoglobulin (β-LG) and four typical olive
biophenolic secoiridoids, including oleuropein (OLE), hydroxytyrosol (HT), oleacein (OLEA) …
biophenolic secoiridoids, including oleuropein (OLE), hydroxytyrosol (HT), oleacein (OLEA) …
Study of new carbonitrile as an anti-muscular dystrophy agent: crystal, vibrational spectroscopy, molecular docking, electronic and intermolecular interaction …
A Ramalingam, C Duraisamy, H Louis… - Journal of Molecular …, 2024 - Elsevier
Muscular dystrophy, a genetically induced and highly lethal disease, necessitates urgent
curative solutions. Many therapeutic drugs for this condition incorporate heterocyclic …
curative solutions. Many therapeutic drugs for this condition incorporate heterocyclic …
[HTML][HTML] The effects of khat chewing among Djiboutians: Dental chemical studies, gingival histopathological analyses and bioinformatics approaches
F Mohamed Abdoul-Latif, A Ainane, A Merito… - Bioengineering, 2024 - mdpi.com
This study examined the effects of khat chewing on oral gingival conditions by adopting a
targeted process which combined physicochemical analyses of the teeth, histopathological …
targeted process which combined physicochemical analyses of the teeth, histopathological …
Exploring the optoelectronic properties of Flavylium cations as acceptors in organic solar Cells: DFT/TD-DFT investigations
S Pourebrahimi, M Pirooz - Solar Energy, 2024 - Elsevier
This study probes the potential use of 12 naturally occurring Flavylium-based cations as non-
fullerene acceptors (NFAs) in organic solar cells (OSCs). Performing density functional …
fullerene acceptors (NFAs) in organic solar cells (OSCs). Performing density functional …
Derivative of aminoresin as potent anti-virulence agent: Synthesis, spectral (FT-IR, UV, NMR) analysis, molecular docking, effect of polar solvation dynamics, and …
CB Ubah, N Mujafarkani, A Sundaravadivelu… - Journal of Molecular …, 2024 - Elsevier
This work undertakes a comprehensive study encompassing the synthesis, spectral
characterization (FT-IR, UV, 1H NMR, 13Csingle bondNMR), exploration of polar solvation …
characterization (FT-IR, UV, 1H NMR, 13Csingle bondNMR), exploration of polar solvation …
A DFT study of eugenol adsorption onto pure and Si-doped Al12N12 and B12N12 fullerene-like nanocages
V de Paul Zoua, FK Bine, IF Pagoré… - Computational and …, 2024 - Elsevier
Density functional theory (DFT) methods have been employed in this work to study the
adsorption behavior of eugenol (Eug) on the external surface of pure and Si-doped Al 12 N …
adsorption behavior of eugenol (Eug) on the external surface of pure and Si-doped Al 12 N …
Amide-functionalized g-C3N4 nanosheet for the adsorption of arsenite (As3+): Process optimization, experimental, and density functional theory insight
Long-term exposure to arsenite (As 3+) from water resources poses a global health concern.
In the current study, gC 3 N 4 (C 3 N 4) nanosheets were functionalized with amide groups …
In the current study, gC 3 N 4 (C 3 N 4) nanosheets were functionalized with amide groups …