Synthesis and characterization of new ruthenium complexes with active ligands against Chagas' disease

Otero, Lucı́a; Noblía, Pabla; Gambino, Dinorah; Cerecetto, Hugo; González, Mercedes; Ellena, Javier; Piro, Oscar E.

doi:10.1016/s0020-1693(02)01277-x

Cited by 53 publications

(38 citation statements)

References 23 publications

(37 reference statements)

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“…It was shown [19] that the structural and spectral-energetic characteristics of the uranium tetrahalides calculated by us for the D 2d model were in principle consistent with experimental results (Tables 1 and 2) that suggested a regular tetrahedral structure of T d symmetry [20]. The bond lengths for UCl 4 . (All bending vibrations were split in the IR spectrum.…”

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confidence: 81%

“…Dimethylsulfoxide (DMSO) occupies a special place among polar organic solvents containing C=O, S=O, or P=O electron-donating groups and; consequently, tending to form coordination complexes. In contrast with dimethylformamide (DMF), hexamethylphosphoramide (HMPA), and other compounds, DMSO can coordinate to the central metal atom in certain instances not only through the O atom but also through the S atom [1][2][3][4][5]. The latter type of coordination is accompanied by a short-wavelength shift of the S=O stretching vibrational frequency whereas coordination of the former type shifts the frequency to longer wavelength.…”

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confidence: 99%

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Structure and vibrational IR spectra of a UCl4⋅2DMSO complex

et al. 2012

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UDC 539.19 Structural models are designed and spectral characteristics are computed based on DFT calculations for a complex of uranium tetrachloride with two molecules of dimethylsulfoxide (UCl 4 ⋅2DMSO). The calculations were carried out using a B3LYP hybrid functional in the LANL2DZ effective core potential approximation for the uranium atom and a cc-pVDZ all-electron basis set for all other atoms. Two structural variants were found for the complex. In the first of them, which is more stable, DMSO molecules are coordinated to the central uranium atom through oxygen atoms whereas in the second one, whose energy is 225 kJ/mol higher, the coordination proceeds through sulfur atoms. The obtained spectral characteristics are analyzed and compared with experimental data. Spectral features that are characteristic of the complexation process are identified. The adequacy of the proposed models and the agreement between calculation and experiment are demonstrated.Introduction. Dimethylsulfoxide (DMSO) occupies a special place among polar organic solvents containing C=O, S=O, or P=O electron-donating groups and; consequently, tending to form coordination complexes. In contrast with dimethylformamide (DMF), hexamethylphosphoramide (HMPA), and other compounds, DMSO can coordinate to the central metal atom in certain instances not only through the O atom but also through the S atom [1][2][3][4][5]. The latter type of coordination is accompanied by a short-wavelength shift of the S=O stretching vibrational frequency whereas coordination of the former type shifts the frequency to longer wavelength. Thus, the spectral position of this vibrational frequency can act as a highly reliable signature of the complex structure.Herein structural variants of the complex of UCl 4 with two DMSO molecules are discussed based on quantum-chemical calculations of the electronic structure and an analysis of previously obtained IR spectra [6,7]. Such complexes provide an example of polymerization involving organic and inorganic ligands and, in particular, can serve as a model for uranium complexation. Their spectral and structural characteristics can be used for the preparation of uranium oxides that are used in nuclear energy.Experimental and Calculations. IR absorption spectra of pure DMSO and UCl 4 ⋅2DMSO pressed into KBr pellets [6], suspended in a mineral-oil mull [7] for the middle IR region, or pressed into a polymeric matrix [6] for the long-wavelength region were recorded on a Vertex 70 spectrophotometer (Bruker) in the ranges 400-4000 cm

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Structure and vibrational IR spectra of a UCl4⋅2DMSO complex

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“…The shifts in the ν(CϭO) and the ν(CϭN) bands upon coordination are consistent with bidentate coordination of the semicarbazone portion of the ligand through the carbonyl oxygen atom and azomethine nitrogen atom. [17,18] The third coordination position is the deprotonated phenol oxygen; thus the OϪH stretching band is not in the spectrum of the complexes. In addition, the typical strong bands owing to asymmetric and symmetric stretching modes of the cis-VO 2 moiety are observed.…”

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New Vanadium(V) Complexes with Salicylaldehyde Semicarbazone Derivatives: Synthesis, Characterization, and in vitro Insulin‐Mimetic Activity − Crystal Structure of [V^vO₂(salicylaldehyde semicarbazone)]

et al. 2004

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The new dioxo(semicarbazone)vanadium(V) complexes cis-VO 2 L, where L = salicylaldehyde semicarbazone (L 1 ), salicylaldehyde 4-n-butylsemicarbazone (L 2 ), or salicylaldehyde 4-(2-naphthyl)semicarbazone (L 3 ), have been synthesized, characterized by 1 H and 13 C NMR and FTIR spectroscopy and tested for bioactivity as potential insulin-mimetic agents. All dioxovanadium(V) complexes exhibited essentially no in vitro insulin-mimetic activity, but the VO 2 L 2 complex developed activity in the presence of ascorbic acid, similar to that of vanadyl sulfate. The molecular structure of the novel

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“…1) [2]. The complexes were originally synthesized searching for drugs with antitrypanosome activity [3,4]. By the rationale that a dual mechanism of action could improve the damage to key targets, the drug design was based on combining the oxidative stress induced by the semicarbazone ligand with the ability of the ruthenium atom to bind to DNA.…”

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DNA conformational changes and cleavage by ruthenium(II) nitrofurylsemicarbazone complexes

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et al. 2007

Journal of Inorganic Biochemistry

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Synthesis and characterization of new ruthenium complexes with active ligands against Chagas' disease

Cited by 53 publications

References 23 publications

Structure and vibrational IR spectra of a UCl4⋅2DMSO complex

Structure and vibrational IR spectra of a UCl4⋅2DMSO complex

New Vanadium(V) Complexes with Salicylaldehyde Semicarbazone Derivatives: Synthesis, Characterization, and in vitro Insulin‐Mimetic Activity − Crystal Structure of [V^vO₂(salicylaldehyde semicarbazone)]

DNA conformational changes and cleavage by ruthenium(II) nitrofurylsemicarbazone complexes

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Synthesis and characterization of new ruthenium complexes with active ligands against Chagas' disease

Cited by 53 publications

References 23 publications

Structure and vibrational IR spectra of a UCl4⋅2DMSO complex

Structure and vibrational IR spectra of a UCl4⋅2DMSO complex

New Vanadium(V) Complexes with Salicylaldehyde Semicarbazone Derivatives: Synthesis, Characterization, and in vitro Insulin‐Mimetic Activity − Crystal Structure of [VvO2(salicylaldehyde semicarbazone)]

DNA conformational changes and cleavage by ruthenium(II) nitrofurylsemicarbazone complexes

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New Vanadium(V) Complexes with Salicylaldehyde Semicarbazone Derivatives: Synthesis, Characterization, and in vitro Insulin‐Mimetic Activity − Crystal Structure of [V^vO₂(salicylaldehyde semicarbazone)]