Search results for "Free Radical"

showing 10 items of 263 documents

Experimental and Theoretical Studies on Magnetic Exchange in Silole-Bridged Diradicals.

2006

International audience; Five bis(tert-butylnitroxide) diradicals connected by a silole [2,5-R2-3,4-diphenylsilole; R = Me3CN(®O.bul.)Z; Z = p-C6H4 (7a), p-C6H4C6H4-p (7b), 1,4-naphthalenediyl (7c), m-C6H4 (7d)] or a thiophene [2,5-R2-thiophene; R = p-Me3CN(®O.bul.)C6H4 (12)] ring as a coupler were studied. Compd. 12 crystallizes in the orthorhombic space group Pna21 with a 20.752(5), b 5.826(5), and c 34.309(5) .ANG.. X-ray crystal structure detn., electronic spectroscopy, variable-temp. EPR spectroscopy, SQUID measurements and DFT computations (UB3LYP/6-31+G*) were used to study the mol. conformations and electronic spin coupling in this series of mols. Whereas compds. 7b, 7c, and 7d are q…

Models MolecularFree RadicalsSiloleCrystal structure010402 general chemistryRing (chemistry)01 natural sciencesDFTCatalysislaw.inventionchemistry.chemical_compoundNitroxide diradicalMagnetic interactionslawComputational chemistryThiopheneAntiferromagnetismOrganosilicon CompoundsSinglet stateTriplet stateElectron paramagnetic resonance010405 organic chemistryChemistry[CHIM.ORGA]Chemical Sciences/Organic chemistryOrganic ChemistryElectron Spin Resonance SpectroscopyGeneral Chemistry0104 chemical sciences[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryCrystallographyModels ChemicalButanesDiamagnetismEPR spectroscopy
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Comparison of Protective Effects against Reactive Oxygen Species of Mononuclear and Dinuclear Cu(II) Complexes with N-Substituted Benzothiazolesulfon…

2005

Copper(II) complexes of N-benzothiazolesulfonamides (HL1=N-2-(4-methylphenylsulfamoyl)-6-nitro-benzothiazole, HL2=N-2-(phenylsulfamoyl)-6-chloro-benzothiazole, and HL3=N-2-(4-methylphenylsulfamoyl)-6-chloro-benzothiazole) with ammonia have been synthesized and characterized. The crystal structures of the [Cu(L1)2(NH3)2].2MeOH, [Cu(L2)2(NH3)2], and [Cu(L3)2(NH3)2] compounds have been determined. Compounds and present a distorted square planar geometry. In both compounds the metal ion is coordinated by two benzothiazole N atoms from two sulfonamidate anions and two NH3 molecules. Complex is distorted square-pyramidal. The Cu(II) ion is linked to the benzothiazole N and sulfonamidate O atoms o…

Models MolecularFree RadicalsStereochemistrychemistry.chemical_elementSaccharomyces cerevisiaeCrystal structureIn Vitro TechniquesCrystallography X-RayMedicinal chemistryIonInorganic ChemistryMetalSuperoxide dismutaseStructure-Activity RelationshipAmmoniachemistry.chemical_compoundOrganometallic CompoundsMoleculeBenzothiazolesPhysical and Theoretical ChemistrySulfonamidesMolecular StructurebiologySuperoxide DismutaseCopperchemistryBenzothiazolevisual_artvisual_art.visual_art_mediumbiology.proteinCrystallizationReactive Oxygen SpeciesCopperInorganic Chemistry
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Mitochondrially encoded cysteine predicts animal lifespan

2007

Summary The role of genetic factors in the determination of lifespan is undisputed. However, numerous successful efforts to identify individual genetic modulators of longevity have not yielded yet a quantitative measure to estimate the lifespan of a species from scratch, merely based on its genomic constitution. Here, we report on a meta-examination of genome sequences from 248 animal species with known maximum lifespan, including mammals, birds, fish, insects, and helminths. Our analysis reveals that the frequency with which cysteine is encoded by mitochondrial DNA is a specific and phylogenetically ubiquitous molecular indicator of aerobic longevity: long-lived species synthesize respirat…

Models MolecularGeneticsAgingMitochondrial DNAFree Radicalsmedia_common.quotation_subjectLongevityRespiratory chainLongevityComputational BiologyLocus (genetics)Cell BiologyMitochondrionBiologyProtein oxidationDNA MitochondrialGenomeMitochondriaMitochondrial ProteinsAnimalsHumansCysteineAnaerobic bacteriaPhylogenymedia_commonAging Cell
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Effects of static and dynamic perturbations on isotropic hyperfine coupling constants in some quinone radicals.

2004

The effects of solvent dielectric response on the isotropic hyperfine coupling constants of the 1,4-benzoquinone, 1,4-naphthoquinone and 9,10-anthraquinone anions and 1,4-naphthalenediol cation radicals were studied by electron spin resonance (ESR) spectroscopy and by the theoretical density functional method within the polarizable continuum model. Experimental results demonstrate that the isotropic hyperfine coupling constants can be obtained with high accuracy and that the effects of solvent impurities can be minimized by careful sample preparation. The results obtained correlate well with theoretical predictions from density functional theory calculations. For 1,4-naphthalenediol both th…

Models MolecularMagnetic Resonance SpectroscopyFree RadicalsRadicalMolecular ConformationPolarizable continuum modelMolecular physicsSensitivity and Specificitylaw.inventionlawImpurityComputational chemistryElectric ImpedanceGeneral Materials ScienceComputer SimulationSpectroscopyElectron paramagnetic resonanceBinding SitesChemistryIsotropyQuinonesReproducibility of ResultsGeneral ChemistrySolventKineticsSolventsAnisotropyDensity functional theoryArtifactsMagnetic resonance in chemistry : MRC
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Heptacoordinated Molybdenum(VI) Complexes of Phenylenediamine Bis(phenolate): A Stable Molybdenum Amidophenoxide Radical

2013

The syntheses, crystallographic structures, magnetic properties, and theoretical studies of two heptacoordinated molybdenum complexes with N,N′-bis(3,5-di-tert-butyl-2-hydroxyphenyl)-1,2-phenylenediamine (H4N2O2) are reported. A formally molybdenum(VI) complex [Mo(N2O2)Cl2(dmf)] (1) was synthesized by the reaction between [MoO2Cl2(dmf)2] and H4N2O2, whereas the other molybdenum(VI) complex [Mo(N2O2)(HN2O2)] (2) was formed when [MoO2(acac)2] was used as a molybdenum source. Both complexes represent a rare case of the MoVI ion without any multiply bonded terminal ligands. In addition, molecular structures, magnetic measurements, ESR spectroscopy, and density functional theory calculations ind…

Models MolecularMagnetic measurementsFree Radicalssyylliset liganditInorganic chemistryMolecular Conformationchemistry.chemical_elementPhenylenediaminesCrystallography X-RayMolecular conformationIonInorganic ChemistryPhenolsRare casePolymer chemistryOrganometallic CompoundsamidophenoxidePhysical and Theoretical ChemistrySpectroscopyta116Molybdenumradicalta114X-raynon-innocent ligandschemistryMolybdenumradikaalitQuantum TheoryDensity functional theoryamidofenoksidimolybdeeni
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Integrated experimental and computational spectroscopy study on the protonation of the α-nitronyl nitroxide radical unit

2011

The stability of the α-nitronyl nitroxide radical unit under acidic conditions is investigated by an integrated experimental UV/Vis spectroscopy and TDDFT study. In the field of molecular magnetism, α-nitronyl nitroxide radicals are important as purely organic spin carriers due to their synthetic versatility. Here, the existence of an intermediate of the protonated α-nitronyl nitroxide radical unit is demonstrated for the first time and a proposed disproportionation reaction is confirmed.

Models MolecularNitroxide mediated radical polymerizationFree RadicalsChemistryMagnetismSpectrum AnalysisRadicalMolecular ConformationGeneral Physics and AstronomyDisproportionationProtonationTime-dependent density functional theoryPhotochemistryCyclic N-OxidesQuantum TheoryProtonsPhysical and Theoretical ChemistrySpectroscopySpin (physics)Phys. Chem. Chem. Phys.
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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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Preparation of two sets of 5,6,7-trioxygenated dihydroflavonol derivatives as free radical scavengers and neuronal cell protectors to oxidative damag…

2009

An unusual class of 5,6,7-trioxygenated dihydroflavonols (3a-e and 4a-j) were designed and prepared. Their antioxidative properties were assessed by examining their capacities in several in vitro models, including superoxide anion and 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging, rat liver homogenate lipid peroxidation inhibition, PC12 cells protection from oxidative damage, and xanthine oxidase inhibition. These dihydroflavonols displayed positive quenching abilities towards O(2)(-) and DPPH free radicals, in which the majority exhibited superior antioxidant properties to Vitamin C. cis-Configurated compound (+/-)-3e demonstrated remarkable inhibition to LPO with an IC(50) value…

Models MolecularXanthine OxidaseAntioxidantFlavonolsmedicine.drug_classDPPHmedicine.medical_treatmentClinical BiochemistryMolecular ConformationPharmaceutical Sciencemedicine.disease_causeBiochemistryPC12 CellsAntioxidantsLipid peroxidationRats Sprague-Dawleychemistry.chemical_compoundStructure-Activity RelationshipDrug DiscoverymedicineAnimalsXanthine oxidaseMolecular BiologyXanthine oxidase inhibitorNeuronsSuperoxideOrganic ChemistryFree Radical ScavengersFree radical scavengerRatschemistryBiochemistryMolecular MedicineLipid PeroxidationReactive Oxygen SpeciesOxidative stressBioorganicmedicinal chemistry
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Photoreaction Between Benzoylthiophenes and N-BOC-Tryptophan Methyl Ester‡

2005

Drug-induced photoallergy requires as the first step formation of covalent drug-protein photoadducts. One of the key amino acids involved in this process is tryptophan (Trp). In this context, several diaryl ketones, including 2-benzoylthiophene (BT), [2-(5-benzoyl-5-thienyl)]-2-methylpropanoic methyl ester (TPA methyl ester) and 4-(2-thienylcarbonyl)phenyl]-2-methylpropanoic methyl ester (SUP methyl ester) have been irradiated in the presence of N-BOC-(L)-tryptophan methyl ester. Laser flash photolysis has allowed to detect three neutral radicals (ketyl, indolyl and skatolyl radicals) resulting from formal hydrogen-atom abstraction. This correlates well with the isolation of homodimers, as …

Models Molecularchemistry.chemical_classificationKetoneFree RadicalsPhotochemistryRadicalTryptophanTryptophanStereoisomerismContext (language use)ThiophenesGeneral MedicineBiochemistryMedicinal chemistryAmino acidchemistry.chemical_compoundKetylchemistryCovalent bondOrganic chemistryFlash photolysisPhysical and Theoretical ChemistryPhotochemistry and Photobiology
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l-Carnitine l-tartrate supplementation favorably affects biochemical markers of recovery from physical exertion in middle-aged men and women.

2009

The purpose of this study was to examine the effects of Carnipure tartrate (Lonza, Allendale, NJ) supplementation (total dose of 2 g/d of l-carnitine) on markers of performance and recovery from physical exertion in middle-aged men and women. Normally active and healthy men (n = 9, 45.4 +/- 5.3 years old) and women (n = 9, 51.9 +/- 5.0 years old) volunteered to participate in the investigation. Double-blind, placebo, balanced treatment presentation and crossover design were used with 3 weeks and 3 days of supplementation followed by a 1-week washout period before the other counterbalanced treatment was initiated. After 3 weeks of each supplementation protocol, each participant then performe…

Muscle tissueAdultMalemedicine.medical_specialtyXanthine OxidaseFree RadicalsEndocrinology Diabetes and MetabolismPhysical ExertionPlaceboEndocrinologyDouble-Blind MethodInternal medicineCarnitinemedicineHumansCarnitineExertionLactic AcidLeg pressTartratesCross-Over Studiesbiologybusiness.industryMyoglobinMiddle AgedCrossover studyMiddle agemedicine.anatomical_structureEndocrinologyPurinesDietary Supplementsbiology.proteinCreatine kinaseFemalebusinessBiomarkersmedicine.drugMetabolism: clinical and experimental
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