Search results for "HeLa"

showing 10 items of 738 documents

Syntheses, crystal structures, and oxidative DNA cleavage of some Cu(II) complexes of 5-amino-3-pyridin-2-yl-1,2,4-triazole

2004

Three new monomeric Cu(II) complexes of 5-amino-3-pyridin-2-yl-1,2,4-triazole (Hapt), [Cu(Hapt)(H(2)O)(2)(SO(4))] (1), [Cu(Hapt)(2)(H(2)O)(NO(3))](NO(3)) (2), and [Cu(Hapt)(2)(NCS-N)](NCS).H(2)O (3), have been prepared and characterized by single crystal X-ray diffraction. One distorted [CuN(2)O(2)+O(')] square-pyramidal (1), one distorted [CuN(3)O+N(')+O(')] octahedral (2), and one distorted [CuN(4)+N(')] intermediate between square-pyramidal and trigonal-bipyramidal (3) coordination configuration were found and are suggested to be due to the chelating nature of the ligand, which interacts with Cu(II) through the N4(triazole) and N(pyridine) atoms. Spectral properties of these chelates are…

Models MolecularDeoxyribonucleasesMolecular StructureStereochemistryDimethyl sulfoxideLigandSpectrum AnalysisMolecular Sequence Data124-TriazoleDNAFree Radical ScavengersCrystal structureTriazolesCrystallography X-RayBiochemistryMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundMonomerchemistryOctahedronSodium azideChelationOxidation-ReductionCopperJournal of Inorganic Biochemistry
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Inhibitors of inducible NO synthase expression: total synthesis of (S)-curvularin and its ring homologues.

2008

(S)-Curvularin and its 13-, 14-, and 16-membered lactone homologues were synthesized through a uniform strategy in which a Kochi oxidative decarboxylation and ring-closing metathesis reactions constitute the key processes. In the evaluation of the anti-inflammatory effects of the synthesized compounds in assays using cells stably transfected with a human iNOS promoter-luciferase reporter gene construct, the 14- and 16-membered homologues showed a slightly higher inhibitory effect towards iNOS promoter activity than curvularin itself. However, the larger ring homologues also exhibited higher cytotoxicity, manifest in downregulated eNOS promoter activity. In contrast, the di-O-acetyl and 4-ch…

Models MolecularDrug Evaluation PreclinicalNitric Oxide Synthase Type IICrystallography X-RayBiochemistryGene Expression Regulation EnzymologicCell LineLactonesEnosDrug DiscoveryHumansGeneral Pharmacology Toxicology and PharmaceuticsEnzyme InhibitorsCytotoxicityPromoter Regions GeneticOxidative decarboxylationPharmacologychemistry.chemical_classificationReporter genebiologyMolecular StructureChemistryOrganic ChemistryTotal synthesisStereoisomerismCurvularinTransfectionbiology.organism_classificationBiochemistryCyclizationMolecular MedicineZearalenoneLactoneHeLa CellsChemMedChem
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Finely Tuned Temperature-Controlled Cargo Release Using Paraffin-Capped Mesoporous Silica Nanoparticles

2011

[EN] Trapped: Mesoporous silica nanoparticles were loaded with a fluorescent guest and functionalized with octadecyltrimethoxysilane. The alkyl chains interact with paraffins, which build a hydrophobic layer around the particle (see picture). Upon melting of the paraffin, the guest molecule is released, as demonstrated in cells for the guest doxorubicin. The release temperature can be tuned by choosing an appropriate paraffin. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Models MolecularINGENIERIA DE LA CONSTRUCCIONGuest moleculesParaffinsParaffin waxesNanoparticlemesoporous materialsMCM-41Phenazine derivativeFunctionalizedCell survivalNanoparticleQUIMICA ORGANICAChemical structureX-Ray DiffractionSafranin tSilicon dioxideControlled releaseAlkyl chainDrug CarriersMicroscopy ConfocalMolecular StructureOctadecyltrimethoxysilaneSurface propertyTemperatureSilicaGeneral MedicineChemistryAntineoplastic agentParaffinHeLa cellPorosityHumanMaterials scienceDrug carrierX ray diffractionSurface PropertiesMesoporous silica nanoparticlesNanotechnologyAntineoplastic AgentsMesoporousCatalysisDrug interactionsArticleMicroscopy Electron TransmissionHumansCell survivalDrug effectDelayed release formulationHydrophobic layersQUIMICA INORGANICAGeneral ChemistryMesoporous silicaMolecular gatesMesoporous materialsMcm 41Confocal microscopyDrug effectSolubilityDoxorubicinDelayed-Action Preparationsdrug deliveryDrug deliveryNanoparticlesPhenazinesnanoparticlesMesoporous materialcontrolled releasemolecular gatesTransmission electron microscopyHeLa CellsAngewandte Chemie
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Remarkable Inertness of Copper(II) Chelates of Cyclen-Based Macrobicycles with Two trans-N-Acetate Arms

2013

Two cross-bridged cyclen-based macrocycles with two trans-N-acetic acid arms, one having a dibenzofuran (DBF) moiety as the bridge, H2L1, and the other a diphenyl ether (DPE) one, H2L2, were synthesized. Both compounds behave as "proton sponges." The thermodynamic stability constants for the Cu(2+), Zn(2+), Al(3+), and Ga(3+) complexes of both compounds were determined. They exhibit an excellent thermodynamic selectivity for copper(II), ensuring that metal ions largely present in the human body do not interfere with the copper(II) chelates. All complexes are very slow to form, and [CuL2] and [CuL1] are extremely inert to demetallate, especially [CuL2]. The acid-assisted dissociation of [CuL…

Models MolecularMacrocyclic CompoundsStereochemistrychemistry.chemical_elementAcetatesCrystallography X-RayCyclamsInorganic Chemistrychemistry.chemical_compoundCyclenCoordination ComplexesHeterocyclic CompoundsPolymer chemistryMoietyChelationPhysical and Theoretical ChemistryBenzofuransChelating AgentsChemistryPhenyl EthersSpectrum AnalysisDiphenyl etherCopperDibenzofuranThermodynamicsCopperInorganic Chemistry
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Site-specific Labelling with a Metal Chelator for Protein-structure Refinement

2004

A single free Cys sidechain in the N-terminal domain of the E. coli arginine repressor was covalently derivatized with S-cysteaminyl-EDTA for site-specific attachment of paramagnetic metal ions. The effects of chelated metal ions were monitored with (15)N-HSQC spectra. Complexation of Co(2+), which has a fast relaxing electron spin, resulted in significant pseudocontact shifts, but also in peak doubling which was attributed to the possibility of forming two different stereoisomers of the EDTA-Co(2+) complex. In contrast, complexation of Cu(2+) or Mn(2+), which have slowly relaxing electron spins, did not produce chemical shift changes and yielded self-consistent sets of paramagnetic relaxat…

Models MolecularMagnetic Resonance SpectroscopyTime FactorsMetal ions in aqueous solutionElectronsGadoliniumBiochemistryIonParamagnetismchemistry.chemical_compoundNuclear magnetic resonanceBacterial ProteinsAmideEscherichia coliChelationCysteineEdetic AcidSpectroscopyChelating AgentsIonsManganeseElectronic correlationChemistryRelaxation (NMR)Electron Spin Resonance SpectroscopyProteinsCobaltDNAProtein Structure TertiaryRepressor ProteinsCrystallographyModels ChemicalCovalent bondProtonsCopperJournal of Biomolecular NMR
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Conformational and structural studies of N-methylacetohydroxamic acid and of its mono- and bis-chelated uranium(VI) complexes

2015

The thermodynamics and kinetics of the cis/trans isomerism of N-methylacetohydroxamic acid (NMAH) and its conjugated base (NMA(-)) have been reinvestigated in aqueous media by (1)H NMR spectroscopy. Hindered rotation around the central C-N bond due to electronic delocalization becomes slow enough on the NMR time scale to observe both rotamers in equilibrium in D2O at room temperature. By properly assigning the methyl group resonances, evidence for the prevalence of the E over the Z form is unambiguously provided [K300=[E]/[Z]=2.86(2) and 9.63(5) for NMAH and NMA(-), respectively], closing thereby a long-lasting dispute about the most stable conformer. To that end, calculations of the chemic…

Models MolecularMolecular ConformationX-ray crystal structuresCrystallography X-RayHydroxamic AcidsSpectrum Analysis RamanBiochemistryInorganic Chemistrychemistry.chemical_compoundDelocalized electronReaction rate constantEXSY spectroscopyCoordination ComplexesSpectroscopyConformational isomerismChelating AgentsUranium(VI) complexesChemical shiftWater[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryCrystallographyHydroxamic acidchemistry[ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistryRaman spectroscopyProton NMRQuantum TheoryUraniumDensity functional theoryMethyl group
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Molybdenum Complex with Bulky Chelates as a Functional Model for Molybdenum Oxidases

2014

The novel bulky Schiff base chelate ligand [(4,5-diisopropyl-1H-pyrrole-2-yl)methylene]-4-(tert-butyl)aniline ((iPr2)HL) bearing two isopropyl groups close to the pyrrole nitrogen atom reacts with MoCl2(dme)O2 (dme = 1,2-dimethoxyethane) to give the sterically congested complex Mo(VI)((iPr2)L)2O2 ((iPr2)1; OC-6-4-4 configuration). In spite of the increased steric shielding of the [MoO2] unit (iPr2)1 is active in oxygen-atom transfer to PMe3 and PPh3 to give OPMe3 and OPPh3, respectively. Because of the increased steric bulk of the chelate ligand, formation of dinuclear complexes [Mo(V)((iPr2)L)2O]2(μ-O) ((iPr2)3) by comportionation is effectively prevented in contrast to the highly favored …

Models MolecularMolybdenumSchiff baseMolecular StructureLigandchemistry.chemical_elementLigandsInorganic Chemistrychemistry.chemical_compoundAnilinechemistryMolybdenumPolymer chemistryOrganic chemistryChelationPhysical and Theoretical ChemistryMethyleneCrystallizationOxidoreductasesIsopropylPyrroleInorganic Chemistry
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Single-molecule magnetic behavior in a neutral terbium(III) complex of a picolinate-based nitronyl nitroxide free radical

2011

The terdentate anionic picolinate-based nitronyl nitroxide (picNN) free radical forms neutral and robust homoleptic complexes with rare earth-metal ions. The nonacoordinated Tb3+ complex Tb(picNN)3• 6H2O is a single-molecule magnet with an activation energy barrier Δ = 22.8 ± 0.5 K and preexponential factor τ0 = (5.5 ± 1.1) × 10-9 s. It shows magnetic hysteresis below 1 K. © 2011 American Chemical Society.

Models MolecularNitroxide mediated radical polymerizationFree RadicalsMolecular Structurechemistry.chemical_elementTerbiumActivation energyPicolinic acidIron Chelating AgentsMagnetic hysteresisPhotochemistryIonInorganic ChemistryMagneticsCrystallographychemistry.chemical_compoundchemistryOrganometallic CompoundsMoleculeNitric Oxide DonorsPhysical and Theoretical ChemistryHomolepticPicolinic AcidsTerbium
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Triphenylphosphane Pt(II) complexes containing biologically active natural polyphenols: Synthesis, crystal structure, molecular modeling and cytotoxi…

2016

Platinum complexes bearing phosphane ligands in cis configuration with deprotonated flavonoids (3-hydroxyflavone, quercetin) and deprotonated ethyl gallate were synthesized starting from cis-[PtCl2(PPh3)(2)]. In all cases, O,O' chelate structures were obtained. While quercetin and ethyl gallate complexes are quite stable in solution, the 3-hydroxyflavonate complex undergoes a slow aerobic photodegradation in solution with formation of salicylic and benzoic acids. The X-ray diffraction structures of quercetin and ethyl gallate complexes are reported. Cell cycle studies (in the dark) of the complexes in two human cell lines revealed that the cytotoxic activity of the complex bearing 3-hydroxy…

Models MolecularPlatinum(II) complexesOrganoplatinum CompoundsMolecular modelStereochemistryPlatinum(II) complexes; Cytotoxic activity; Natural polyphenols; Flavonoids; DFTEthyl gallateCrystal structureCytotoxic activity; DFT; Flavonoids; Natural polyphenols; Platinum(II) complexesCrystallography X-Ray010402 general chemistry01 natural sciencesBiochemistryMedicinal chemistryDFTInorganic ChemistryHydrolysischemistry.chemical_compoundDeprotonationHumansChelationPhotodegradationCytotoxic activity DFT Flavonoids Natural polyphenols Platinum(II) complexesFlavonoidsCytotoxic activityCytotoxins010405 organic chemistryChemistryPolyphenols0104 chemical sciencesMCF-7 CellsNatural polyphenolsCis–trans isomerism
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Vibrational spectrum of the spin crossover complex [Fe(phen)(2)(NCS)(2)] studied by IR and Raman spectroscopy, nuclear inelastic scattering and DFT c…

2006

The vibrational modes of the low-spin and high-spin isomers of the spin crossover complex [Fe(phen)(2)(NCS)(2)] (phen = 1,10-phenanthroline) have been measured by IR and Raman spectroscopy and by nuclear inelastic scattering. The vibrational frequencies and normal modes and the IR and Raman intensities have been calculated by density functional methods. The vibrational entropy difference between the two isomers, DeltaS(vib), which is--together with the electronic entropy difference DeltaS(el)--the driving force for the spin-transition, has been determined from the measured and from the calculated frequencies. The calculated difference (DeltaS(vib) = 57-70 J mol(-1) K(-1), depending on the m…

Models MolecularSpectrophotometry InfraredNitrogenAnalytical chemistryGeneral Physics and AstronomyInfrared spectroscopyInelastic scatteringIron Chelating AgentsSpectrum Analysis RamanMolecular physicsHot bandsymbols.namesakeIsomerismNormal modeSpin crossoverFerrous CompoundsPhysics::Chemical PhysicsPhysical and Theoretical ChemistryElectronic entropyChemistryMolecular vibrationsymbolsThermodynamicsSpin LabelsRaman spectroscopyMathematicsPhenanthrolinesPhysical chemistry chemical physics : PCCP
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