Search results for "Benzene derivatives"

showing 4 items of 44 documents

Dielektrische Relaxation und aromatischer Bindungszustand der Amino- und Hydroxylgruppe

1965

Bei funf Wellenlangen im Bereich von 60 cm bis 7 mm wurde in benzolischer Losung bei 20 °C die dielecktrische Absorption von Benzolderivaten gemessen, die Amino- oder Hydroxylgruppen enthalten. Danach erfolgt die elektrische Dipolorientierung bei N, N'-Dimethylanilin, Diphenylamin und ver wandten Molekulen in der Art, das die drei Bindungen des Stickstoffs uber die ebene Anordnung hinweg umklappen. Ebenso kann auch das Relaxationsverhalten von Anilin beschrieben werden. Voraussetzung fur diese Inversion ist die mesomere Wechselwirkung zwischen dem Stickstoff und einem aromatischen ϕ-Elektronen-system. Dagegen ergeben die Meswerte keinen Hinweis darauf, das bei der Hydroxylgruppe auch eine s…

chemistry.chemical_compoundDielectric absorptionCrystallographyAnilinechemistryGeneral Chemical EngineeringBenzene derivativesPolymer chemistryDiphenylamineBenzeneBerichte der Bunsengesellschaft für physikalische Chemie
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Multi-Arm 1,2,3-Thiadiazole Systems

1997

Benzene derivatives 2a–c with 6, 4, and 3 side chains bearing terminal 1,2,3-thiadiazole rings, respectively, have been prepared. Alkaline cleavage of 2a–c led to the corresponding alkynethiolates 6a–c, which were trapped by electrophiles such as benzyl bromide or iodomethane. The method provides an alternative to the thermal or photochemical cleavage of 1,2,3-thiadiazoles to thioketenes, which react further with nucleophiles.

chemistry.chemical_compoundNucleophileBenzyl bromideChemistryOrganic ChemistryElectrophileBenzene derivativesSide chainGeneral ChemistryPhysical and Theoretical ChemistryCleavage (embryo)Medicinal chemistryLiebigs Annalen
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Cytoprotective effects of the antioxidant phytochemical indicaxanthin in beta-thalassemia red blood cells

2006

Antioxidant phytochemicals are investigated as novel treatments for supportive therapy in beta-thalassemia. The dietary indicaxanthin was assessed for its protective effects on human beta-thalassemic RBCs submitted in vitro to oxidative haemolysis by cumene hydroperoxide. Indicaxanthin at 1.0-10 microM enhanced the resistance to haemolysis dose-dependently. In addition, it prevented lipid and haemoglobin (Hb) oxidation, and retarded vitamin E and GSH depletion. After ex vivo spiking of blood from thalassemia patients with indicaxanthin, the phytochemical was recovered in the soluble cell compartment of the RBCs. A spectrophotometric study showed that indicaxanthin can reduce perferryl-Hb ge…

congenital hereditary and neonatal diseases and abnormalitiesAntioxidantErythrocytesPyridinesmedicine.medical_treatmentindicaxanthinphytochemicalBiochemistryHemolysisAntioxidantschemistry.chemical_compoundHemoglobinsAntioxidants betalainhemic and lymphatic diseasesSettore BIO/10 - BiochimicamedicineBenzene DerivativesHumansVitamin ETraditional medicineDose-Response Relationship DrugChemistrybeta-ThalassemiaBeta thalassemiaGeneral Medicinemedicine.diseaseLipid MetabolismGlutathionehaemoglobinBetaxanthinsPhytochemicalBiochemistryCytoprotectionSpectrophotometryCase-Control StudiesHeminAntioxidants betalains haemoglobin indicaxanthin phytochemicals red blood cellsIndicaxanthinOxidation-Reductionred blood cells
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Kohn-Sham Decomposition in Real-Time Time-Dependent Density-Functional Theory An Efficient Tool for Analyzing Plasmonic Excitations

2017

The real-time-propagation formulation of time-dependent density-functional theory (RT-TDDFT) is an efficient method for modeling the optical response of molecules and nanoparticles. Compared to the widely adopted linear-response TDDFT approaches based on, e.g., the Casida equations, RT-TDDFT appears, however, lacking efficient analysis methods. This applies in particular to a decomposition of the response in the basis of the underlying single-electron states. In this work, we overcome this limitation by developing an analysis method for obtaining the Kohn-Sham electron-hole decomposition in RT-TDDFT. We demonstrate the equivalence between the developed method and the Casida approach by a be…

plasmonic excitationsTheoretical computer scienceKohn-Sham decompositionComputer scienceta221Kohn–Sham equationsFOS: Physical sciencesPhysics::Optics02 engineering and technology01 natural sciencesPhysics - Chemical Physics0103 physical sciencesMesoscale and Nanoscale Physics (cond-mat.mes-hall)Decomposition (computer science)Physics::Atomic and Molecular ClustersStatistical physicsPhysical and Theoretical ChemistryPhysics::Chemical Physics010306 general physicsta116PlasmonEigenvalues and eigenvectorsChemical Physics (physics.chem-ph)Condensed Matter - Materials ScienceCondensed Matter - Mesoscale and Nanoscale Physicsta114tiheysfunktionaaliteoriaMaterials Science (cond-mat.mtrl-sci)Time-dependent density functional theory16. Peace & justice021001 nanoscience & nanotechnologyComputer Science ApplicationsplasmonitBenzene derivativesnanohiukkaset0210 nano-technologyJOURNAL OF CHEMICAL THEORY AND COMPUTATION
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