Functionalization of decavanadate anion by coordination to cobalt(II): Binding to proteins, cytotoxicity, and water oxidation catalysis

Speciation is the key parameter in solution chemistry that describes the composition, concentration, and oxidation state of each chemical form of an element present in a sample. The speciation study of complex polyatomic ions has remained challenging because of the large number of factors affecting stability and the limited number of direct methods. To address these challenges, we developed the speciation atlas of 10 polyoxometalates commonly used in catalytic and biological applications in aqueous solutions, where the speciation atlas provides both a species distribution database and a predictive model for other polyoxometalates to be used. Compiled for six different polyoxometalate archetypes with three types of addenda ions based on 1309 nuclear magnetic resonance spectra under 54 different conditions, the atlas has revealed a previously unknown behavior of polyoxometalates that may account for their potency as biological agents and catalysts. The atlas is intended to promote the interdisciplinary use of metal oxides in various scientific fields.

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Cobalt(II) Complex Constructed from Pyrazinecarboxamide and Aromatic Carboxylic Acid: Synthesis, Single Crystal XRD Along with Computational Study

Deniz,

Ashfaq,

Ozturk

et al. 2024

J. Comput. Biophys. Chem.

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A cobalt (II) mononuclear complex was synthesized by two-nitrobenzoic acid and pyrazine-two- carboxamide ligands in the presence of sodium bicarbonate and aqueous solution of cobalt acetate tetrahydrate. The synthesized cobalt(II) complex was characterized by single crystal X-rays diffraction. The coordination geometry of the cobalt complex was octahedral with water molecules occupying the axial sites. A lot of intermolecular interactions were in response to stabilize the supramolecular assembly which were inspected by Hirshfeld surface analysis. Enrichment ratios were calculated to find the pair of atoms having the highest propensity to form crystal packing interactions. Void analysis was conducted to forecast how the crystal would respond to applied stress. Interaction energy calculations were carried out using the B3LYP/6-31G(d,p) electron density model to identify which energy types most significantly contributed to the supramolecular assembly. Moreover, the energy data obtained from DFT calculations showed an average level of stability of the molecule. The moderate HOMO-LUMO energy gap suggested reactivity, while a high electrophilicity index indicates a strong tendency for electron-accepting reactions.

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Functionalization of decavanadate anion by coordination to cobalt(II): Binding to proteins, cytotoxicity, and water oxidation catalysis

Cited by 3 publications

References 95 publications

Exploring the interaction of decavanadate with methylene blue, toluidine blue and rhodamine B

Exploring the interaction of decavanadate with methylene blue, toluidine blue and rhodamine B

Speciation atlas of polyoxometalates in aqueous solutions

Cobalt(II) Complex Constructed from Pyrazinecarboxamide and Aromatic Carboxylic Acid: Synthesis, Single Crystal XRD Along with Computational Study

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