Synthesis, Characterization, DFT Computation, Molecular Docking, and Biological, Environmental, and Electrochemical Applications of Quinoline‐2‐Carboxaldehyde‐Based Schiff Base and Its Nanometal Chelates

Applied Organometallic Chemistry, Год журнала: 2025, Номер 39(4)

Опубликована: Март 9, 2025

ABSTRACT A Schiff base ligand (L) is synthesized and characterized using quinoline‐2‐carboxaldehyde 2‐aminobenzimidazole. Metal complexes of Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Cd (II) ions are produced studied utilizing IR, 1 H‐NMR, UV–visible, mass spectrometry, molar conductivity measurements. was found to be bidentate. Based on spectroscopic, elemental, magnetic tests, the were octahedral. Cd(II) have poor conductivity. Ionic Cu(II) 1:1 electrolytes. Using thermogravimetric (TG) analysis, its complexes' thermal characteristics evaluated from room temperature 1000°C. Scanning electron microscope (SEM), atomic force (AFM), BET surface area data showed that Co(II) exhibited nanometric structures with reasonable area. theoretically optimized for molecular electronic structures. Additionally, quantum chemical parameters calculated. Molecular docking screening predicted ligand‐receptor binding efficiency. Candida albicans (5JPE) Staphylococcus aureus (1GHP) receptors interacted best ligand. metal tested against Gram‐positive ( Streptococcus mutans ) Gram‐negative Escherichia coli , Pseudomonas aeruginosa Klebsiella pneumonia ). The compounds also antifungal activity Aspergillus niger . outperformed in antibacterial activity, suggesting they could antimicrobial medications warranting further study. conditions nanocomplex photocatalytic low pH 10 min, which degraded 85% rose bengal dye (RBD) aqueous solutions. Electrochemical detection arsenic anions cyclic voltammetry tested.

Язык: Английский

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Sonochemical Synthesis, Structural Elucidation, and Photocatalytic Efficiency of Ag(I) and Ni(Ii) Schiff Base Complexes in the Degradation of Methylene Blue Dye Under Visible Light

Опубликована: Янв. 1, 2025

Язык: Английский

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Green Synthesis of Nanoscale Mixed‐Ligand Complexes: DNA Interaction, Biomedical Applications, and Computational Studies

Applied Organometallic Chemistry, Год журнала: 2025, Номер 39(6)

Опубликована: Май 26, 2025

ABSTRACT The potential applications of nanoscale ternary metal complexes in biomedicine have drawn a lot interest to the development environmentally friendly production methods. In this study, we present ecologically and economical synthesis mixed‐ligand nanocomplexes Cr(III) Cd(II) ions with 1‐((E)‐(2‐mercaptophenylimino)methyl)naphthalen‐2‐ol (H 2 L) Schiff base as primary ligand atenolol drug (HD) secondary utilizing reducing agents derived from Anethum graveolens (AG) plant. prepared compounds were extensively characterized using spectroscopy microscopy establish their structural, morphological, electronic characteristics. particle sizes Cr Cd analyzed at room temperature 200°C, showing reduction size by heating 200°C due structural modifications. Furthermore, interactions these calf thymus DNA (CT‐DNA) investigated UV–Vis absorption cyclic voltammetry (CV). results showed that high affinity for binding CT‐DNA. vitro cytotoxicity assays against lung cancer cell line revealed promising anticancer activity, emphasizing biomedical potential. newly created examined antimicrobial demonstrating significant inhibitory effects. DFT calculations carried out B3LYP/LANL2DZ theory level, synthesized exhibited greater stability compared free ligands. docking H L, HD ligands, cancer‐associated target proteins (PDB ID: 4B3Z) Aspergillus flavus gene regulation 8HBS) agreement experimental data, confirming validity computational predictions.

Язык: Английский

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Synthesis, Spectroscopic Characterization, Antimicrobial Investigation, Docking and Computational Studies of New Tin (IV) Schiff Base Complexes

Applied Organometallic Chemistry, Год журнала: 2025, Номер 39(2)

Опубликована: Янв. 23, 2025

ABSTRACT Reaction of Organotin (IV) salts with tridentate Schiff bases (SBI and SBII) reacted in 1:1 M ratios where complexes ( 1–6 ) were afforded. the formula [Sn (CH 3 2 (SBI)ClH O]Cl (1) , [Sn(C 4 H 9 (SBI)Cl ]H O (2) 6 5 (SBI)] 3), (SBII)Cl ]3H (4), ]2H (5) (SBII)]H (6) = 2(E)‐2‐(((3‐hydroxyphenyl)imino)methyl)phenol SBII (E)‐2‐(((3‐aminophenyl)imino)‐methyl)phenol described. Every Tin complex had a distinct color was soluble DMF DMSO organic solvents. The have all been thoroughly examined using mass spectrum analysis, FT‐IR, UV–vis, 1 H‐NMR, CHN investigations. For both SBI SBII, chelated to tin metal ion fashion through NOO NNO atoms, including nitrogen atoms azomethine group. This demonstrated by spectroscopic data ligand its related ). atom found pentagonal‐bipyramidal geometry according elemental analyses coupled electronic spectral data. nonelectrolytes except Complex is electrolyte. thermal deterioration occurred between 200°C 800°C, thermogravimetric analysis performed during decomposition under nitrogen. vitro tests measured efficacy base inhibit growth several types bacteria fungi. When compared ligand, it shown that more successful killing fungi organisms. In order interpret compounds' structure reactivity, density functional calculations done. Molecular docking protein locations 2V5Z 7KGW utilized evaluate possible medicines MOE 2008. Without verifying results MD simulations, work designed explore molecular docking.

Язык: Английский

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Dual Activity of Newly Synthesized Zn(II) and Cu(II) Schiff Base Complexes as a Potential Solution for Global Challenges in the Fight Against Priority Microorganisms

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 142052 - 142052

Опубликована: Март 1, 2025

Язык: Английский

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