Vanadium Complex of 2-(2‘-Pyridyl)-4,5-dicyanoimidazole Showing Spermicidal and Cytotoxic Properties

Characterization of V(IV) biomolecules relies strongly on electron paramagnetic resonance (EPR) spectroscopy, particularly the application of the additivity relationship of A(z) values. It has been shown experimentally that the A(z) values of V(IV)O(2+) imidazole species have a critical angular dependence. Density-functional theory (DFT) calculations elucidate the dependence of (51)V A(z) value on the orientation of the aromatic ring in V(IV)O(2+) pyridine complexes, following closely the functional dependence observed for V(IV)O(2+) imidazole species, [A(z)(pyr) = 42.23 + 1.80 x sin(2theta - 90)], with A(z) measured in 10(4) cm(-1). A DFT re-examination of V(IV)O(2+) imidazole complexes gives an equation very similar [A(z)(imid) = 42.35 + 2.34 x sin(2theta - 90)] to that experimentally found. These results generalize the application of the additivity relationship for V(IV)O(2+) complexes containing aromatic nitrogen ligands such as pyridine or imidazole. The increase of the absolute value of A(z), |A(z)|, when the dihedral angle theta between the V=O and N(pyr)-C or N(imid)-C bonds varies from a parallel to a perpendicular orientation is due to an increase of the d vanadium orbital contribution and to a decrease of the pi aromatic system participation in the singly occupied molecular orbital.

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“…All of the structural details and the EPR parameters reported in the text were taken from refs , , − .…”

Section: Computational Sectionmentioning

confidence: 99%

Assessing the Dependence of ⁵¹V A_z Value on the Aromatic Ring Orientation of V^IVO²⁺ Pyridine Complexes

2009

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“…In most cases, linear arrangement of C-N-M moiety is present, but incidental examples of side-on or bridging modes have been reported. 5 Cyano derivatized aromatic N-heterocycles, such as cyanopyridines, cyanobi-imidazoles 6,7,8,9 and cyanoimidazoles, are interesting candidates for the engineering of metal-organic frameworks. In these, the two types of nitrogen donors allow diverse reactivity and tailoring of the supramolecular structures.…”

Section: Introductionmentioning

confidence: 99%

Impacts of the counter ions on 4,5-dicyano-1-methylimidazole silver coordination

et al. 2018

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“…Vanadium complexes with oxidation states +4 and +5 can catalyze the production of reactive oxygen species. These species can immobilize the spermatozoa at nanomolar to low micromolar concentrations [133,134]. Iron gluconate (Figure 3) is a synthetic reagent immobilizing the sperm tail and inducing lipid peroxidation.…”

Section: Other Synthetic Productsmentioning

confidence: 99%

Vaginal Administration of Contraceptives

et al. 2020

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While contraceptive drugs have enabled many people to decide when they want to have a baby, more than 100 million unintended pregnancies each year in the world may indicate the contraceptive requirement of many people has not been well addressed yet. The vagina is a well-established and practical route for the delivery of various pharmacological molecules, including contraceptives. This review aims to present an overview of different contraceptive methods focusing on the vaginal route of delivery for contraceptives, including current developments, discussing the potentials and limitations of the modern methods, designs, and how well each method performs for delivering the contraceptives and preventing pregnancy.

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Vanadium Complex of 2-(2‘-Pyridyl)-4,5-dicyanoimidazole Showing Spermicidal and Cytotoxic Properties

Cited by 9 publications

References 17 publications

Assessing the Dependence of ⁵¹V A_z Value on the Aromatic Ring Orientation of V^IVO²⁺ Pyridine Complexes

Assessing the Dependence of ⁵¹V A_z Value on the Aromatic Ring Orientation of V^IVO²⁺ Pyridine Complexes

Impacts of the counter ions on 4,5-dicyano-1-methylimidazole silver coordination

Vaginal Administration of Contraceptives

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Vanadium Complex of 2-(2‘-Pyridyl)-4,5-dicyanoimidazole Showing Spermicidal and Cytotoxic Properties

Cited by 9 publications

References 17 publications

Assessing the Dependence of 51V Az Value on the Aromatic Ring Orientation of VIVO2+ Pyridine Complexes

Assessing the Dependence of 51V Az Value on the Aromatic Ring Orientation of VIVO2+ Pyridine Complexes

Impacts of the counter ions on 4,5-dicyano-1-methylimidazole silver coordination

Vaginal Administration of Contraceptives

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Product

Resources

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Assessing the Dependence of ⁵¹V A_z Value on the Aromatic Ring Orientation of V^IVO²⁺ Pyridine Complexes

Assessing the Dependence of ⁵¹V A_z Value on the Aromatic Ring Orientation of V^IVO²⁺ Pyridine Complexes