One-pot synthesis, NMR, quantum chemical approach, molecular docking studies, drug-likeness and in-silico ADMET prediction of novel 1-(2, 3-dihydrobenzo [b][1, 4] …

D Rajaraman, LA Anthony, P Nethaji… - Journal of Molecular …, 2023 - Elsevier
A novel drug to treat SARS-CoV-2 infections and hydroxyl chloroquine analogue, 1-(2, 3-
dihydrobenzo [b][1, 4] dioxin-6-yl)-2-(furan-2-yl)-4, 5-diphenyl-1H-imidazole (DDFDI) …

Development of azithromycin–Pd mono nanocomposite: Synthesis, physicochemical, characterization and TD-DFT calculations

NS Mohamed, MM Ahmed, A Yahia, SM Ibrahim… - Journal of Molecular …, 2022 - Elsevier
Azithromycin (Az) is a novel macrolide antibiotic with better activity against intracellular
gramme negative bacteria and has been routinely prescribed for the treatment of respiratory …

Novel synthesis, structure characterization, DFT and investigation of the optical properties of cyanine dye/zinc oxide [4-CHMQI/ZnO] C nanocomposite thin film

AF Al-Hossainy, RM Abdelaal, WN El Sayed - Journal of Molecular …, 2021 - Elsevier
A novel synthesis of (E)-4-(4-carboxy-3-hydroxystyryl)-1-methylquinolin-1-ium iodide
nanostructure thin film has been doped with zinc oxide nanoparticles to study the optical …

Synthesis, characterization, DFT-TDDFT calculations and optical properties of a novel pyrazole-1, 2, 3-triazole hybrid thin film

IH El Azab, AA Gobouri, TA Altalhi, HS El-Sheshtawy… - Optik, 2021 - Elsevier
Aiming to construct active photosensitizer agents, a novel 1-((3-(3-(3, 5-diphenyl-4, 5-
dihydro-1H-pyrazol-1-yl)-5-methyl-1H-1, 2, 4-triazol-1-yl)-1-phenyl-1H-pyrazol-4-yl) methyl) …

Pyromellitic diamide–diacid bridged mesoporous organosilica nanospheres with controllable morphologies: a novel PMO for the facile and expeditious synthesis of …

E Valiey, MG Dekamin - Nanoscale Advances, 2022 - pubs.rsc.org
In this work, novel pyromellitic diamide–diacid bridged mesoporous organosilica (PMAMOS)
nanospheres with controllable morphologies and Brønsted acid catalytic centers were …

Doping of some corannulenes of general formula C5n2H5n (n = 2,3,4) with boron–nitride (B–N) units at the rim position: applications in electronics …

B Aloumko, F Tchangnwa Nya, C Souop Tala Foadin… - Polymer Bulletin, 2024 - Springer
The electronic, optoelectronic, linear and nonlinear optical (NLO) properties of some
corannulenes of formula C5n2H5n (with n=[2, 4]), doped with boron–nitride units at the rim …

Synthesis, characterization, DFT studies, and molecular docking investigation of silver nitrate complex of 5-benzimidazole carboxylic acid as targeted anticancer …

C Kucuk - Journal of Molecular Structure, 2023 - Elsevier
In this study, a silver nitrate complex of 5-benzimidazole carboxylic acid was synthesized
and characterized by FT-IR and 1 H NMR spectra. In addition, DFT calculations were …

Experimental and DFT studies of 2-methyl-quinoxaline and its silver (I) complex: Non-covalent interaction analysis, antimicrobial activity and molecular docking study

C Kucuk, S Yurdakul, S Celik, B Erdem - Inorganic Chemistry …, 2022 - Elsevier
The current study describes the characterization and vibrational spectra (elemental analysis,
FT-IR, 1 H NMR and UV–Visible absorption) of 2-Methyl-quinoxaline (2-MQ) and …

Optical properties for flexible and transparent silver nanowires electrodes with different diameters

RD Abdel-Rahim, AM Nagiub, OA Pharghaly… - Optical Materials, 2021 - Elsevier
The current study describes the advanced optical properties of silver nanowires (AgNWs)
with different morphology synthesized by the polyol method. AgNWs were characterized by …

Effect of shock waves on enhancing the optical properties of ammonium pentaborate hexahydrate single crystal molecular structure

L Anandaraj, L Jothi - Journal of Molecular Structure, 2021 - Elsevier
Abstract Ammonium Pentaborate Hexahydrate (APBHH), a novel inorganic nonlinear optical
single crystal was grown by slow evaporation solution growth method and the Properties of …