- Selective coordination ability of sulfamethazine Schiff-base ligand towards copper(II): Molecular structures, spectral and SAR study
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In the present work, a combined experimental and theoretical study of the N-(4,6-Dimethyl-pyrimidin-2-yl)-4-[(2-hydroxy-benzylidene)amino] benzenesulfonamide ligand (H2L) and its mononuclear and magnetically diluted binuclear CuII complexes has been performed using IR, TG/DTA, magnetic, EPR, and conductivity measurements. Calculated g-tensor values showed best agreement with experimental values from EPR when carried out using the MPW1PW91 functional. Coordination of H2L to a CuII center, regardless of the binding site and Cu:L stoichiometry, leads to a significant decrease in the antibacterial activity compared to the free ligand as well as reference drugs in the case of Staphylococcus aureus. Structural-activity relationship suggests that ELUMO, ΔE, dipole moment, polarizability and electrophilicity index were the most significant descriptors for the correlation with the antibacterial activity.
- Mansour, Ahmed M.
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- Hydrogen-bond effect, spectroscopic and molecular structure investigation of sulfamethazine Schiff-base: Experimental and quantum chemical calculations
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Comprehensive theoretical and experimental structural studies on N-(4,6-dimethyl-pyrimidin-2-yl)-4-[(2-hydroxy-benzylidene)-amino] benzenesulfonamide (SMS) have been carried out by elemental analysis, FT IR, 1H NMR, UV-Vis. and MS. Optimized mo
- Mansour, Ahmed M.,Abdel Ghani, Nour T.
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- Schiff bases derived from 4-amino-n-substituted benzenesulfonamide: Synthesis, spectral characterisation and mic evaluation
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The present study is aimed to synthesise Schiff bases from sulfathiazole/ sulfamethoxazole/ sulfadimidine with 2-hydroxybenzaldehyde. The synthesized Schiff bases were characterized by analytical data, IR, 1H-NMR, 13C-NMR, UV-Vis spe
- Nisha, Chinnadhurai,Sabarika, Balachandran,Subbalakshmi, Ramanathan,Valarmathy, Govindaraj
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p. 435 - 448
(2022/01/03)
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- Synthesis, molecular modeling, TD-DFT, antimicrobial, and in vitro therapeutic activity of new spherical nano-sized sulfonamide imine ligands and their zinc (II) and copper (II) complexes
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A series of nanometer-sized spherical sulfonamide imine ligands HL1-HL5 and their copper and zinc complexes were synthesized and fully characterized based on elemental analyses, spectroscopic (UV/vis, FT-IR, NMR, EPR, SEM) studies, m
- El-Dissouky, Ali,Abu-Elsoud, Eslam S.,Abdel Razik, Afaf,Awad, Mohamed K.,Hassan, Hammed H.A.M.,Elhusseiny, Amel F.
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