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Exploring novel Cd(ii) complexes with 5-methyl-4-imidazolecarboxaldehyde: synthesis, structure, computational insights, and affinity to DNA through switchSense methodology
Abstract
A series of four Cd(II) complexes with 5-methyl-4-imidazolecarboxaldehyde (L) with different inorganic anions within or outside the coordination sphere of general formula: [CdCl2 L2 ] (1), [CdBr2 L 2] (2), [CdI2L 2] (3), and [CdL4 ](PF6 )2 ·3H2 O (4) was synthesized through one-step and two-step reactions, respectively. All complexes were obtained as colorless crystals without the need for recrystallization and exhibited solubi- lity in aqueous solutions. Structural analysis revealed different coordination environments for each complex, with variations in bond lengths and angles. The crystal packing of the complexes was stabilized by hydrogen bonding and π–π stacking interactions. FT-IR analysis indicated coordination of the ligand to the metal ion, and UV-Vis studies confirmed the stability of the complexes in solution. Computational analysis has revealed the polar nature of the complexes and their favorable stability constants. Affinity studies with DNA using the switchSense technique demonstrated rapid association and dissociation pro- cesses for all complexes, with temperature-dependent binding constants. Thermodynamic analysis suggested spontaneous with positive entropy change and endothermic formation processes for the com- plexes. Overall, the study underscores the synthesis, examination, and interaction with DNA of Cd(II ) com- plexes, demonstrating their promise within medicinal chemistry.
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Authors (7)
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Mateusz Kowalik
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Paulina Nowicka
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Jakub Brzeski
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Natalia Żukowska
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Joanna Masternak dr hab.
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Mariusz Makowski dr
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Details
- Category:
- Articles
- Type:
- artykuły w czasopismach
- Published in:
-
DALTON TRANSACTIONS
no. 24,
pages 10347 - 10360,
ISSN: 1477-9226 - Language:
- English
- Publication year:
- 2024
- Bibliographic description:
- Kowalik M., Nowicka P., Brzeski J., Żukowska N., Masternak J., Kazimierczuk K., Makowski M.: Exploring novel Cd(ii) complexes with 5-methyl-4-imidazolecarboxaldehyde: synthesis, structure, computational insights, and affinity to DNA through switchSense methodology// DALTON TRANSACTIONS -,iss. 24 (2024), s.10347-10360
- DOI:
- Digital Object Identifier (open in new tab) 10.1039/d4dt00879k
- Verified by:
- Gdańsk University of Technology
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