Search results for "medicinal"

showing 10 items of 2966 documents

Properties of a triazolopyridine system as a molecular chemosensor for metal ions, anions, and amino acids.

2006

The characteristics as a chemosensor of the compound 3-methyl-6,8-di(2-pyridyl)-[1,2,3]triazolo[5',1':6,1]pyrido[2,3-]pyrimidine (1) have been analyzed. Interaction with Cu(2+) produces a quenching of the fluorescence, while interaction with Zn(2+) leads to a quenching of the fluorescence followed by a bathochromic shift. The crystal structure of the Zn(1)(H(2)O)(3)(ClO(4))(2) x H(2)O complex shows the coordination of Zn(2+) through the terpyridine moiety. The octahedral site is completed by three water molecules. Interactions of the Zn(2+) complex with the anions sulfate, nitrate, nitrite, and dihydrogenphosphate in ethanol produce hypsochromic shifts and restoration of the fluorescence wh…

inorganic chemicalsAnionsQuenching (fluorescence)ChemistryPyridinesMetal ions in aqueous solutionOrganic ChemistryInorganic chemistryCrystallography X-RayMedicinal chemistrychemistry.chemical_compoundSpectrometry FluorescenceMetalsCationsBathochromic shiftMoleculeMoietyTriazolopyridineHypsochromic shiftSpectrophotometry UltravioletTerpyridineAmino AcidsThe Journal of organic chemistry
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A step forward in the development of superoxide dismutase mimetic nanozymes: the effect of the charge of the surface on antioxidant activity

2019

Two binucleating hezaaza macrocycles containing a pyridinol spacer have been prepared and characterised. Protonation studies indicate the deprotonation of the phenol group at relatively low pH values with the concomitant occurrence of a keto-enolic equilibrium. These ligands readily form binuclear Cu2+ and Zn2+ complexes as denoted by potentiometric and spectroscopic studies. The binding of the metals yields to the ready deprotonation of the phenol with the stabilisation of the keto form that results in complexes of greater stabilities than the analogous ones containing pyridine as spacer instead of pyridine. Mixed Cu2+–Zn2+-complexes were also detected in aqueous solutions containing equim…

inorganic chemicalsAqueous solutionbiologyChemistryGeneral Chemical EngineeringPotentiometric titrationchemistry.chemical_elementProtonation02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesMedicinal chemistryCopper0104 chemical sciencesSuperoxide dismutasechemistry.chemical_compoundDeprotonationPyridinebiology.proteinPhenol0210 nano-technologyRSC Advances
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First Synthesis of β-Keto Sulfoxides by a Palladium-Catalyzed Carbonylative Suzuki Reaction

2005

[reaction: see text] An unprecedented palladium-catalyzed three-component cross-coupling reaction between alpha-bromo sulfoxide, carbon monoxide, and aromatic boronic acids provides a new and efficient approach to the synthesis of beta-ketosulfoxides. The reaction takes place under mild conditions with a wide range of variously substituted aryl and heteroaryl boronic acids. The carbonylative cross-coupling reaction is strongly favored over competing direct cross-coupling and homocoupling processes, except with boronic acids carrying strong electron-withdrawing substituents.

inorganic chemicalsArylOrganic Chemistrychemistry.chemical_elementSulfoxideGeneral MedicineBiochemistryMedicinal chemistryCatalysischemistry.chemical_compoundchemistrySuzuki reactionOrganic chemistryPhysical and Theoretical ChemistryCarbonylationCarbon monoxidePalladiumOrganic Letters
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Azonia spiro polyaza macrocycles containing biphenyl subunits as anion and cation receptors

2011

Abstract The reaction of N-Boc triprotected cyclam with bis(chloromethyl)biphenyl followed by the corresponding deprotection of the nitrogen atoms allows the preparation of receptor 3 containing an azonia spiro subunit. This receptor shows slightly increased basicity than cyclam, in particular for the formation of the appropriate triply charged species as a consequence of the reduced capacity of the structure present in 3 to stabilize the species with lower protonation degrees through the formation of intramolecular hydrogen bonds. The properties of 3 as a receptor for Cu2+ and Zn2+ and the anions derived from PO 4 3 − ( Pi ) , P 2 O 7 4 − ( PPi ) , P 3 O 10 5 − ( TPP ) and ATP have been st…

inorganic chemicalsBiphenylAqueous solutionHydrogen bondStereochemistryChemistryOrganic ChemistrySupramolecular chemistryStackingProtonationBiochemistryMedicinal chemistryAnion recognitionchemistry.chemical_compoundMetal complexesIntramolecular forceDrug DiscoveryCyclamPolyaza cyclophanesSupramolecular chemistryMacrocyclesTetrahedron
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4,4′-bis(dimethylamino)biphenyl containing binding sites. A newfluorescent subunit for cation sensing

2002

The emission behaviour of the 4,4′-bis(dimethylamino)biphenyl subunit covalently attached to aza-crown ethers is studied. Some new ligands have been synthesised in order to test the properties of this new fluorophore. The fluorescence of these new ligands and some other compounds previously described has been studied in acetonitrile in the presence of Ni2+, Cu2+, Zn2+, Hg2+, Pb2+, Cd2+ and also in the presence of some alkali and alkaline-earth cations.

inorganic chemicalsBiphenylFluorophoreStereochemistryProtein subunitGeneral ChemistryAlkali metalFluorescenceMedicinal chemistrychemistry.chemical_compoundchemistryCovalent bondBinding siteAcetonitrile
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A new general fragmentation reaction in mass spectrometry: The hydrogen-carbon, carbon-carbon double rearrangement of 2 heteroalkyl substituted diphe…

1995

Diphenylmethyl cations formed by benzylic cleavage of the molecular ions of ortho heteroalkyl substituted 1,1-diphenylalkanes undergo the double rearrangement process (H to C followed by C to C) previously reported for ortho-methoxy derivatives. Hence the formation of substituted benzyl (or tropylium) ions allowing this double rearrangement process constitutes an interesting type of fragmentation reaction characteristic for 1,1-diphenylalkanes bearing ortho substituents (OMe, OEt, OiPr, SMe, NHMe, NMe2) which are able to transfer a hydride to the charged benzyl carbon of diphenylmethyl cations formed by benzylic cleavage of the molecular ion.

inorganic chemicalsCollision-induced dissociationHydrogenChemistryHydrideorganic chemicalsPolyatomic ionReinforced carbon–carbonAnalytical chemistrychemistry.chemical_elementMass spectrometryMedicinal chemistryIonFragmentation (mass spectrometry)heterocyclic compoundsSpectroscopyEuropean Journal of Mass Spectrometry
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Synthesis, Characterization, and Cu(2+) Coordination Studies of a 3-Hydroxy-4-pyridinone Aza Scorpiand Derivative.

2016

The synthesis, acid-base behavior, and Cu(2+) coordination chemistry of a new ligand (L1) consisting of an azamacrocyclic core appended with a lateral chain containing a 3-hydroxy-2-methyl-4(1H)-pyridinone group have been studied by potentiometry, cyclic voltammetry, and NMR and UV-vis spectroscopy. UV-vis and NMR studies showed that phenolate group was protonated at the highest pH values [log K = 9.72(1)]. Potentiometric studies point out the formation of Cu(2+) complexes of 1:2, 2:2, 4:3, 1:1, and 2:1 Cu(2+)/L1 stoichiometries. UV-vis analysis and electrochemical studies evidence the implication of the pyridinone moieties in the metal coordination of the 1:2 Cu(2+)/L1 complexes. L1 shows …

inorganic chemicalsMagnetic Resonance SpectroscopyStereochemistryPyridinesPyridonesPotentiometric titrationProtonationChemistry Techniques Synthetic010402 general chemistry010403 inorganic & nuclear chemistryElectrochemistryCrystallography X-Ray01 natural sciencesMedicinal chemistryAntioxidantsCoordination complexInorganic Chemistrychemistry.chemical_compoundStructure-Activity RelationshipCoordination ComplexesHumansChelationPhysical and Theoretical ChemistryCell ProliferationChelating Agentschemistry.chemical_classificationLigandHydrogen-Ion Concentration0104 chemical scienceschemistryPotentiometrySpectrophotometry UltravioletCyclic voltammetryDerivative (chemistry)CopperHeLa CellsInorganic chemistry
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Bis[S-hexyl 3-(thiophen-2-ylmethylidene)dithiocarbazato-κ2N3,S]palladium(II)

2016

In the title complex, [Pd(C12H17N2S3)2], the PdIIatom exhibits a square-planar coordination geometry with theN,S-chelating ligands arranged in atransconfiguration. Intramolecular C—H...S hydrogen bonds are observed. In the crystal, molecules are linked by weak C—H...N hydrogen-bond interactions, forming chains parallel to thebaxis.

inorganic chemicalsQuantitative Biology::Biomoleculescrystal structureChemistryStereochemistryHydrogen bondThio-chemistry.chemical_elementGeneral MedicineCrystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesMedicinal chemistryhumanitiespalladium(II) complex0104 chemical sciencesCrystalTrans configurationlcsh:QD901-999lcsh:Crystallographydithiocarbazate ligandCoordination geometryPalladiumIUCrData
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Structure-based evaluation of the resonance interactions and effectiveness of the charge transfer in nitroamines

2011

Structural data for five nitroamines of general formula Me2N–G–NO2 show effectiveness of the ground-state charge transfer to be most and least efficient in N,N-dimethylnitramine and in 4-N,N-dimethylamino-β-nitrostyrene, respectively. Electron-donor power of the amino nitrogen atom in the latter compound is less than that in 4-nitro-β-N,N-dimethylaminostyrene (these two compounds are isomers). Natural population analysis shows that the charge transfer from the amino to the nitro oxygen atoms is most effective in N,N-dimethylnitramine, Me2N–NO2. The nitro oxygen atoms are not the only acceptors of the negative charge lost by the amino nitrogen atom. The nitro group in two substituted nitrobe…

inorganic chemicalsSubstituentCharge (physics)Resonance (chemistry)Ring (chemistry)Condensed Matter PhysicsMedicinal chemistryNitrobenzenechemistry.chemical_compoundchemistryComputational chemistryNitroMoleculePhysical and Theoretical ChemistryBenzeneStructural Chemistry
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ChemInform Abstract: Gold(I)-Catalyzed Intermolecular Oxyarylation of Alkynes: Unexpected Regiochemistry in the Alkylation of Arenes.

2010

The reaction between acetylenes and sulfoxides, studied as a test case for gold-catalyzed intermolecular addition, provides the oxyarylation compounds 3 in good yields. Unpredictably, in all cases a single regioisomer arising from the electrophilic aromatic alkylation at the position adjacent to the sulfur atom is obtained instead of the expected Friedel−Crafts regioisomer. A new concerted mechanism based on DFT calculations is proposed to account for the products in this intermolecular gold(I)-catalyzed reaction.

inorganic chemicalschemistryConcerted reactionIntermolecular forceElectrophileStructural isomerchemistry.chemical_elementRegioselectivityGeneral MedicineAlkylationSulfurMedicinal chemistryCatalysisChemInform
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