Search results for "Metal complexes"

showing 10 items of 51 documents

The Effect of Metal Cations on the Aqueous Behavior of Dopamine. Thermodynamic Investigation of the Binary and Ternary Interactions with Cd2+, Cu2+ a…

2021

The interactions of dopamine [2-(3,4-Dihydroxyphenyl)ethylamine, (Dop−)] with cadmium(II), copper(II) and uranyl(VI) were studied in NaCl(aq) at different ionic strengths (0 ≤ I/mol dm−3 ≤ 1.0) and temperatures (288.15 ≤ T/K ≤ 318.15). From the elaboration of the experimental data, it was found that the speciation models are featured by species of different stoichiometry and stability. In particular for cadmium, the formation of only MLH, ML and ML2 (M = Cd2+; L = dopamine) species was obtained. For uranyl(VI) (UO22+), the speciation scheme is influenced by the use of UO2(acetate)2 salt as a chemical; in this case, the formation of ML2, MLOH and the ternary MLAc (Ac = acetate) species in a …

Catechol; Chemical speciation; Metal complexes; Sequestration; Stability constantsMolecular Structurechemical speciation; metal complexes; catechol; sequestration; stability constantsDopaminePharmaceutical ScienceOrganic chemistrysequestrationmetal complexesSodium Chloridecatecholchemical speciationUranium CompoundsAnalytical Chemistrystability constantsQD241-441Chemistry (miscellaneous)CationsDrug DiscoveryMolecular MedicineThermodynamicsSettore CHIM/01 - Chimica AnaliticaPhysical and Theoretical ChemistryCopperCadmiumMolecules
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Structure ofD-ribonic acid-dimethyltin(IV) in coordinating solvents: an experimental and DFT119Sn NMR study

2006

We have investigated a newly synthesized complex of D-ribonic acid with dimethyltin(IV). The structure of the complex in solution has been characterized by means of 1 H, 13 C, and 119 Sn NMR and by DFT calculations. The comparison of experimental and computational results allowed the determination of the stable conformation in solution as well as the detection of a dimerization process. Moreover, evidence is given of active coordination of the metal by the solvent.

organotin compounds; ribonic acid; carbohydrate-metal complexes; 119Sn NMR; DFT calculationsChemistryOrganic Chemistrycarbohydratestin compoundstin-119carbohydrates; tin compounds; tin-119; NMR spectroscopy; computational chemistrycomputational chemistryMetalSolventNMR spectroscopyComputational chemistryvisual_art119Sn NMR Carbohydrate-metal complexes DFT calculations Organotin compounds Ribonic acidvisual_art.visual_art_mediumOrganic chemistryPhysical and Theoretical ChemistryJournal of Physical Organic Chemistry
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Synthesis, X-ray structures and redox behaviour of the group 14 bis-boraamidinates M[PhB(μ-N-t-Bu)2]2 (M = Ge, Sn) and Li2M[PhB(μ-N-t-Bu)2]2 (M = Sn,…

2009

The solid-state structures of the complexes M[PhB(μ-N-t-Bu)2]2 (1a, M= Ge; 1b, M = Sn) were determined to be spirocyclic with two orthogonal boraamidinate (bam) ligands N,N′-chelated to the group 14 centre. Oxidation of 1b with SO2Cl2 afforded the thermally unstable, blue radical cation {Sn[PhB(μ-N-t-Bu)2]2}•+, identified by electron paramagnetic resonance (EPR) spectroscopy supported by density functional theory (DFT) calculations, whereas the germanium analogue 1a was inert towards SO2Cl2. The reaction between Li2[PhB(μ-N-t-Bu)2]2 and SnCl2 or PbI2 in 2:1 molar ratio in diethyl ether produced the novel heterotrimetallic complexes Li2Sn[PhB(μ-N-t-Bu)2]2 (2b) and (Et2O·Li)LiPb[PhB(μ-N-t-Bu)…

boraamidinaatitboraamidinatesmetal complexesmetallikompleksit
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Quantitative Analysis of the Interactions of Metal Complexes and Amphiphilic Systems: Calorimetric, Spectroscopic and Theoretical Aspects.

2022

Metals and metal-based compounds have many implications in biological systems. They are involved in cellular functions, employed in the formation of metal-based drugs and present as pollutants in aqueous systems, with toxic effects for living organisms. Amphiphilic molecules also play important roles in the above bio-related fields as models of membranes, nanocarriers for drug delivery and bioremediating agents. Despite the interest in complex systems involving both metal species and surfactant aggregates, there is still insufficient knowledge regarding the quantitative aspects at the basis of their binding interactions, which are crucial for extensive comprehension of their behavior in sol…

Molecular dynamics simulationsSpeciationCalorimetryBiochemistryBiological membraneAmphiphilic systemsKineticsMetal complexesSpectrophotometrySettore CHIM/03 - Chimica Generale E InorganicaCoordination ComplexesMetalsSolution thermodynamicsDensity functional theory calculationsDrug deliveryIsothermal titration calorimetryThermodynamicsMolecular Biologymetal complexes; amphiphilic systems; drug delivery; biological membrane; solution thermodynamics; speciation; isothermal titration calorimetry; spectrophotometry; molecular dynamics simulations; density functional theory calculationsBiomolecules
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Coordination Complexes of a Neutral 1,2,4-Benzotriazinyl Radical Ligand: Synthesis, Molecular and Electronic Structures, andMagnetic Properties

2015

A series of d-block metal complexes of the recently reported coordinating neutral radical ligand 1-phenyl-3-(pyrid-2-yl)-1,4-dihydro-1,2,4-benzotriazin-4-yl (1) was synthesized. The investigated systems contain the benzotriazinyl radical 1 coordinated to a divalent metal cation, MnII, FeII, CoII, or NiII, with 1,1,1,5,5,5-hexafluoroacetylacetonato (hfac) as the auxiliary ligand of choice. The synthesized complexes were fully characterized by single-crystal X-ray diffraction, magnetic susceptibility measurements, and electronic structure calculations. The complexes [Mn(1)(hfac)2] and [Fe(1)(hfac)2] displayed antiferromagnetic coupling between the unpaired electrons of the ligand and the meta…

Magnetic susceptibility measurementsAntiferromagnetic couplingIron compoundsLigands01 natural sciencesNickelheterosyklitMetal ionsta116Cobalt compoundsChelationChemistryMetal–radical interactionsMagnetismSingle crystal x-ray diffractionRadicals[CHIM.MATE]Chemical Sciences/Material chemistrymetal-radical interactionsradicalsexchange interactionsChemistrykoordinaatiokemiaUnpaired electronPositive ionsMetalsSynthesis (chemical)visual_artradikaalitvisual_art.visual_art_mediumElectronic structureCoordinating propertiesmagneettiset ominaisuudetX ray diffractionRadicalInorganic chemistryRadical interactionsElectronic structureHeterocycles010402 general chemistryCatalysisMagnetic susceptibilityMetalElectronic structure calculationsMetal complexesMagnetic properties[CHIM.COOR]Chemical Sciences/Coordination chemistrymetalli-radikaali -vuorovaikutuksetManganeseheterocycles010405 organic chemistryLigandCrystal structureOrganic ChemistryGeneral ChemistryMagnetic susceptibility0104 chemical sciencesCrystallographyOctahedronFerromagnetismExchange interactionscoordination chemistrySingle crystalsmagnetic propertiesCoordination reactions
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Synthesis, structure and photophysical properties of a highly luminescent terpyridine-diphenylacetylene hybrid fluorophore and its metal complexes

2015

A new fluorescent terpyridyl-diphenylacetylene hybrid fluorophore 4′-[4-{(4-methoxyphenyl)ethynyl}phenyl]-2,2′:6′,2′′-terpyridine, L, was synthesized via Sonogashira cross-coupling of 4′-(4-bromophenyl)-2,2′:6′,2′′-terpyridine and 4-ethynylanisole in the presence of Pd(PPh3)4/CuI as a catalyst. The solid state structure of L shows a trans arrangement of pyridine nitrogen atoms along the interannular bond in the terpyridine domain. Five transition metal complexes of L, {[FeL2](CF3SO3)2 (1), [ZnL2](ClO4)2 (2), [CdL2](ClO4)2 (3), [RuL2](PF6)2 (4), and PtMe3IL (5)}, have also been synthesized and characterized by spectroscopic methods and single crystal X-ray analysis. The X-ray crystal structu…

fluorophorecrystal structuresfluoroforitterpyridiinivalofysikaaliset ominaisuudetmetal complexessynteesiterpyridinevalmistusmetallikompleksitphotophysical propertieskiderakenteet
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Salphen metal complexes as potential anticancer agents: interaction profile and selectivity studies toward the three G-quadruplex units in the KIT pr…

2022

DNA G-rich sequences can organize in four-stranded structures called G-quadruplexes (G4s). These motifs are enriched in significant sites within the human genomes, including telomeres and promoters of cancer related genes. For instance, KIT proto-oncogene promoter, associated with diverse cancers, contains three adjacent G4 units, namely Kit2, SP, and Kitt. Aiming at finding new and selective G-quadruplex binders, we have synthesized and characterized five non-charged metal complexes of Pt(II), Pd(II), Ni(II), Cu(II) and Zn(II) of a chlorine substituted Salphen ligand. The crystal structure of the Pt(II) and Pd(II) complexes was determined by XRPD. FRET measurements indicated that Pt(II) an…

Inorganic ChemistryG-quadruplex Metal complexes SalphenSettore CHIM/03 - Chimica Generale E Inorganica
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DNA interaction and biological activity of first row transition metal complexes

2011

DNA metal complexesSettore CHIM/03 - Chimica Generale E InorganicaSettore CHIM/08 - Chimica Farmaceutica
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DNA Binding and Biological Activity of Transition Metal Complexes

2011

DNA Transition Metal complexesSettore CHIM/03 - Chimica Generale E InorganicaSettore CHIM/08 - Chimica Farmaceutica
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New coordination polymers based on a novel polynitrile ligand: Synthesis, structure and magnetic properties of the series [M(tcnoetOH)2(4,4′-bpy)(H2O…

2008

International audience; A novel polynitrile anionic ligand, tcnoetOH−(=[(NC)2CC(OCH2CH2OH)C(CN)2]−), has been synthesized by a one-pot reaction from a cyclic acetal and malononitrile. This ligand has been successfully used to prepare, with 4,4′-bpy as co-ligand, a novel series of coordination polymers formulated as [M(tcnoetOH)2(4,4′-bpy)(H2O)2] with M(II) = Fe (1), Co (2) and Ni (3). These isostructural compounds present a linear chain structure consisting of octahedrally coordinated metal ions bridged by trans 4,4′-bpy ligands. The coordination sphere of the metal ions is completed with two terminal tcnoetOH− ligand and two water molecules. The magnetic properties indicate that the three …

Transition metal complexesCoordination sphere010405 organic chemistryChemistryLigandMetal ions in aqueous solutionInorganic chemistryZero field splitting010402 general chemistry01 natural sciences0104 chemical sciencesInorganic ChemistryParamagnetismCrystallographychemistry.chemical_compoundPolynitrileMagnetic propertiesMaterials ChemistryMolecule[CHIM]Chemical SciencesPhysical and Theoretical ChemistryIsostructuralChain complexesMalononitrile
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