Exploring the structure, fluorescence properties and theoretical studies of newly synthesized Co(II), Ni(II) and Cd(II) complexes bearing acylhydrazone ligands

Journal of Molecular Structure, Год журнала: 2024, Номер 1314, С. 138840 - 138840

Опубликована: Июнь 2, 2024

Язык: Английский

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Structural and computational insights into two completely unanticipated Cu(II) and Ni(II) complexes derived from a bifunctional salamo-type bis(pyridine)-arm ligand

Journal of Molecular Structure, Год журнала: 2024, Номер 1318, С. 139249 - 139249

Опубликована: Июль 9, 2024

Язык: Английский

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Spectroscopic properties of a fluorescent pyrene-quinoline-based bisoxime-type sensor and its application to the detection of Cu2+ ion in real water samples

Journal of Molecular Structure, Год журнала: 2024, Номер 1309, С. 138131 - 138131

Опубликована: Март 28, 2024

Язык: Английский

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In-situ Salen-type ligand formation-driven of a heterometallic Cu(II)-Hg(II) complex: Synthetic update, crystallographic features, DFT calculations, and unveil antimicrobial profiles

Inorganic Chemistry Communications, Год журнала: 2023, Номер 160, С. 111933 - 111933

Опубликована: Дек. 18, 2023

Язык: Английский

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A novel dual-functional half salamo-based fluorescent turn-on sensor for selectively recognition and differentiation of Zn2+ and Al3+ ions

Journal of Molecular Structure, Год журнала: 2024, Номер 1303, С. 137586 - 137586

Опубликована: Янв. 16, 2024

Язык: Английский

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Effects of changing ions on the crystal design, non-covalent interactions, antimicrobial activity, and molecular docking of Cu(II) complexes with a pyridoxal-hydrazone ligand

Frontiers in Chemistry, Год журнала: 2024, Номер 12

Опубликована: Фев. 1, 2024

The present work reports the influence of presence different ions (Cl − , Br NO 3 or SO 4 2− ) on formation and proprieties Cu(II) complexes with pyridoxal-benzoylhydrazone (PLBHZ). Four new were successfully synthesized, [CuCl 2 (PLBHZ)] (1), [CuBr (2), [CuCl(PLBHZ)H O]⋅NO ⋅H O (3), [CuSO (PLBHZ)H O]⋅3H (4), characterized by spectroscopic physicochemical methods. A single-crystal X-ray study reveals Schiff base coordinated to metal center tridentate ONS -donor system, resulting in distorted square pyramidal coordination geometries. Noncovalent interactions investigated 3D Hirshfeld surface analysis d norm function, 2D fingerprint plots, full interaction maps. ion exchange is important forming three-dimensional networks π⋅⋅⋅π stacking intermolecular hydrogen bonds. vitro biological activity free ligand was evaluated against Gram-positive Gram-negative bacterial strains pyridoxal-hydrazone showed higher than their complexes. Molecular docking used predict inhibitory Staphylococcus aureus Escherichia coli bacteria.

Язык: Английский

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Comprehensive insights of a Salamo-like Oligo(N,O-donor) ligand and its self-assembled di-nuclear Mn(III) and tetra-nuclear Cd(II) complexes

Journal of Molecular Structure, Год журнала: 2024, Номер 1309, С. 138264 - 138264

Опубликована: Апрель 5, 2024

Язык: Английский

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Copper Coordination Dynamics: Synthesis and Structural Insights Utilizing DFT, Hirshfeld, and Antimicrobial Analysis

Inorganic Chemistry Communications, Год журнала: 2024, Номер 160, С. 111992 - 111992

Опубликована: Янв. 4, 2024

Язык: Английский

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Antibacterial [Zn(nicotinamide)2Cl2] complex for the treatment of skin conditions: An experimental-theoretical study of physicochemical, microbiological and in silico pharmacokinetic properties

Journal of Molecular Liquids, Год журнала: 2024, Номер 403, С. 124846 - 124846

Опубликована: Апрель 27, 2024

Язык: Английский

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Molybdenum (VI) Complexes and their Dual Role as Antidiabetic and Anticancer Agents

ChemistrySelect, Год журнала: 2024, Номер 9(22)

Опубликована: Июнь 7, 2024

Abstract Two molybdenum complexes, MoHL1 and MoHL2, are prepared from the corresponding tetradentate salen type (ONNO) ligands, HL1 HL2, obtained 3, 5‐dichloro salicylaldehyde, substituted o‐phenylenediamines. The complexes characterized by 1H NMR, FTIR, HRMS, UV‐visible spectral techniques. DFT studies provide insight into their structural parameters. band gap energy molecular orbital energies influence charge transfer interactions within molecule. Further, assessed for antioxidant efficacy, α–amylase inhibitory potential, binding propensity with deoxyribonucleic acid, cytotoxicity against breast cancer cell line, MCF7. DPPH assay demonstrates high radical scavenging ability, as evidenced IC 50 value of 133.85±1.18 μg/mL, higher than ascorbic acid. From results assay, shows good action 32.72±2.49 μg/mL that standard acarbose. absorption titration method, to track metal DNA, a marked hyperchromic effect indicating preferential grooves DNA helical structure. MoHL2 exerts lines MoHL1. Thus, have potential be developed antidiabetic anticancer agents.

Язык: Английский

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