Synthesis, characterization, crystal structure, and fabrication of photosensitive Schottky device of a binuclear Cu(ii)-Salen complex: a DFT investigations

RSC Advances, Год журнала: 2024, Номер 14(21), С. 14992 - 15007

Опубликована: Янв. 1, 2024

This work explores one centrosymmetric binuclear Cu( ii )-Salen complex synthesis, characterization, photosensitive Schottky barrier diode (PSBD) function, and DFT spectrum.

Язык: Английский

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Rational and experimental investigation of antihypotensive midodrine-Fe(III) complex: Synthesis, spectroscopy, DFT, biological activity and molecular docking

Journal of Molecular Structure, Год журнала: 2024, Номер 1311, С. 138421 - 138421

Опубликована: Апрель 22, 2024

Язык: Английский

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Zinc metal complexes synthesized by a green method as a new approach to alter the structural and optical characteristics of PVA: new field for polymer composite fabrication with controlled optical band gap

RSC Advances, Год журнала: 2024, Номер 14(36), С. 26362 - 26387

Опубликована: Янв. 1, 2024

The current study employed a novel approach to design polymer composites with modified structural and declined optical band gaps. results obtained in the present work for can be considered an original method make new field research based on green chemistry. Natural dyes extracted from tea were mixed hydrated zinc acetate (Zn(CH

Язык: Английский

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Exploring photocatalytic, antimicrobial, and biofilm inhibition properties of cuminaldehyde derived benzimidazole metal complexes

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 141311 - 141311

Опубликована: Янв. 1, 2025

Язык: Английский

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Schiff bases targeting an Sw-480 colorectal cell line: synthesis, characterization, ds-DNA binding and anticancer studies

RSC Advances, Год журнала: 2025, Номер 15(3), С. 1527 - 1539

Опубликована: Янв. 1, 2025

In present studies, six Schiff bases were prepared, characterized and evaluated for their anti-tumor activity against the colorectal cancer cell line SW-480. The test compounds by various physico-chemical techniques such as M. P., TLC, UV, FT-IR, elemental analysis, 1H-NMR spectroscopy etc. investigated non-covalent DNA binding potential. electronic absorption hydrodynamic studies expressed strong complementary evidence that are between narrow walls of helical grooves stabilized via electrostatic interactions through groove dominant mode. Moreover, these also revealed tested compound had significant to chicken (ck) blood ds-DNA at pH (7.4) body temperature 310 K: calculated values standard Gibbs free energy changes (ΔG = -RT ln K f) all negative which manifested spontaneity compounds. cytotoxicity was found triplicate testing O. D. compared find percentage viability cells. IC50 estimated dose-dependent curves. HSB3, HSB4 HSB1 showed relatively potent anti-cancer with 7.0913 μg mL-1, 17.1469 mL-1 17.5254 respectively. same exhibited better efficacy constant (9.1 × 105, 3.5 105 5.13 104 respectively).

Язык: Английский

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Synthesis, crystallographic structure, Hirshfeld surface analysis and DFT calculations of Schiff base (Z)-4-methyl-2-(((3-nitrophenyl)imino)methyl)phenol

Journal of Molecular Structure, Год журнала: 2024, Номер 1310, С. 138319 - 138319

Опубликована: Апрель 16, 2024

Язык: Английский

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Synthesis, characterization, antiproliferative, antibacterial activity, RDG, ELF, LOL Molecular docking and physico chemical properties of novel benzodiazepine derivatives

Journal of Molecular Structure, Год журнала: 2024, Номер 1322, С. 140519 - 140519

Опубликована: Окт. 28, 2024

Язык: Английский

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Sustainable synthesis of benzimidazole-based Schiff base using reusable CaAl ₂ O ₄ nanophosphors catalyst: Insights into metal(II) complexes and DNA interactions

Nucleosides Nucleotides & Nucleic Acids, Год журнала: 2025, Номер unknown, С. 1 - 23

Опубликована: Янв. 19, 2025

This article presents a new and facile method for the synthesis of Schiff base compounds with benzimidazole group using low-cost reusable calcium aluminate nanophosphorus catalyst (CaAl2O4). approach avoids harmful solvents reactants, supporting more environmentally friendly process. The maintained its activity heterogeneity over four cycles minimal loss efficiency. process was straightforward eliminated need column chromatography. ligand (HL=(E)-N-((6-(thiophen-2-yl)pyridin-2-yl)methylene)-1H-benzo[d]imidazol-2-amine)) synthesized by reaction 6-(thiophen-2-yl)pyridine-2-carbaldehyde 1H-benzimidazole-2-amine. Subsequently, metal(II) complexes Co(II), Ni(II), Cu(II) were prepared this ligand. Structural analysis both metal carried out various physicochemical spectroscopic methods. Ni(II) Co(II) found to adopt an octahedral geometry, while complex exhibited square-planar structure. Binding studies calf thymus DNA (CT-DNA) at pH 7.2 performed UV-visible spectroscopy, viscosity measurements, thermal denaturation showed that intercalate into produced distinct binding pattern. Molecular docking simulations AutoDock Vina provided insights interaction these B-DNA dodecamer. Furthermore, photonuclease against pUC19 DNA. Agarose gel electrophoresis exhibit photoinduced nuclease activity, confirming their ability cleave upon exposure light.

Язык: Английский

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A highly substituted isoquinolinethione: Synthesis, crystal structure, DFT analysis and molecular docking studies against a series of the SARS-CoV-2 proteins

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 141527 - 141527

Опубликована: Янв. 1, 2025

Язык: Английский

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Biological Evaluation of a Novel Schiff Base Ligand as an Antioxidant Agent: Synthesis, Characterization and DFT Computations of its Ni(II) and Cu(II) Complexes

Journal of Molecular Structure, Год журнала: 2024, Номер 1319, С. 139505 - 139505

Опубликована: Июль 30, 2024

Язык: Английский

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