Journal of Molecular Structure, Journal Year: 2023, Volume and Issue: 1298, P. 137036 - 137036
Published: Nov. 13, 2023
Language: Английский
Journal of Molecular Structure, Journal Year: 2023, Volume and Issue: 1298, P. 137036 - 137036
Published: Nov. 13, 2023
Language: Английский
Heliyon, Journal Year: 2024, Volume and Issue: 10(14), P. e34556 - e34556
Published: July 1, 2024
The sulfonamide Schiff base compound (E)-4-((4-(dimethylamino)benzylidene)amino)-N-(5-methylisoxazol-3-yl)benzenesulfonamide was successfully prepared and fully characterized. foremost objective of this study to explore the molecular geometry aforementioned determine its drug likeness characteristics, docking ability as an insulysin inhibitor, anticancer antioxidant activities. structure optimized using B3LYP/6−311G+(d,p) level theory. completely characterized utilizing both experimental DFT approaches. Molecular electrostatic potential, frontier orbitals, Fukui function, likeness, in silico analyses were performed. Wave functional properties such localized orbital locator, electron localization function non-covalent interactions also simulated. screened for activities vitro technique. observed FT-IR, UV–Vis, 1H NMR results compared with simulated data fairly consistent. computational spectral findings confirm formation compound. Both π—π* n—π* transitions UV–Vis spectra. examined followed Pfizer, Golden Triangle, GSK, Lipinski's rules. Consequently, it possesses a more favorable absorption, distribution, metabolism, excretion, toxicity (ADMET) profile, making suitable candidate non-toxic oral use. Moreover, exhibited promising inhibition activity docking. showed against A549 cancer cells IC50 value 40.89 μg/mL moderate activity.
Language: Английский
Citations
1Journal of Materials Science Materials in Electronics, Journal Year: 2024, Volume and Issue: 35(23)
Published: Aug. 1, 2024
Language: Английский
Citations
1Photonics Research, Journal Year: 2024, Volume and Issue: 12(11), P. 2639 - 2639
Published: July 23, 2024
Schiff bases derived from the condensation of primary amines with aldehydes, such as para-phenylenediamine salicylaldehyde, exhibit unique optical and structural properties ideal for photonic applications. This study synthesizes a base, revealing its through detailed HNMR 1, FTIR, XRD characterizations. The compound forms robust π -conjugated structure, showing fluorescence emission peak at 560 nm significant absorbance 380 nm. A spin-coated laser cavity displayed critical lasing threshold 1 MW · cm −2 , which could be optimized down to 0.6 kW . Moreover, compounds’ acceptor-donor-acceptor configuration raised outstanding nonlinear properties, including substantial two-photon absorption cross-section 2×10 −11 ⋅ W −1 GM enhancing utility in high-resolution imaging advanced Other characteristics determined during these studies are saturable absorption-induced coefficient (−2×10 ), saturation intensity (2.5×10 11 W· Kerr-induced refractive index (5×10 −16 2 ). combined linear supported by sustained minimal photobleaching under intense re-excitation, establish base derivatives promising materials high-brightness, photostable organic light emitters, solid-state lasers.
Language: Английский
Citations
0Journal of Structural Chemistry, Journal Year: 2024, Volume and Issue: 65(11), P. 2295 - 2316
Published: Nov. 1, 2024
Language: Английский
Citations
0Journal of Materials Science Materials in Electronics, Journal Year: 2023, Volume and Issue: 34(22)
Published: Aug. 1, 2023
Language: Английский
Citations
1Journal of Molecular Structure, Journal Year: 2023, Volume and Issue: 1298, P. 137036 - 137036
Published: Nov. 13, 2023
Language: Английский
Citations
1