Search results for "Cyclohexane"

showing 10 items of 295 documents

Enantioselective sensing of dicarboxylates. Influence of the stoichiometry of the complexes on the sensing mechanism

2009

Two new cyclohexane-based thiourea chiral ligands have been synthesized in their enantiomerically pure forms. Both the ability of these ligands in the complexation of chiral dicarboxylates and their sensing properties have been studied. The influence of the stoichiometry of the formed complexes on the fluorescent properties of the systems has been established. The effect of additional substitution in the cyclohexyl moiety was considered by comparing the properties of the newly prepared ligands with those of similar compounds previously described.

CyclohexaneChemistryStereochemistryorganic chemicalsOrganic ChemistryEnantioselective synthesisFluorescenceCombinatorial chemistryCatalysisInorganic Chemistrychemistry.chemical_compoundThioureaMoietyheterocyclic compoundsPhysical and Theoretical ChemistryStoichiometryTetrahedron: Asymmetry
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From Hexaphenylbenzene to 1,2,3,4,5,6-Hexacyclohexylcyclohexane

2020

The hydrogenation of hexaphenylbenzene was studied, affording novel partially hydrogenated hexacyclohexylbenzene (HCB) as well as fully hydrogenated 1,2,3,4,5,6-hexacyclohexylcyclohexane (HCC) as an unprecedented “oligocyclohexyl” molecule. The reaction process was analyzed by mass spectrometry with atmospheric pressure chemical ionization and high-performance liquid chromatography. From a crude product mixture, two different crystals with flake- and block-shapes could be grown and analyzed by X-ray crystallography, revealing their structures as HCB and HCC. While a geared arrangement of cyclohexyl substitutes was found in HCB, two isomeric structures were identified in HCC crystal with cha…

CyclohexaneCommunicationAtmospheric-pressure chemical ionizationGeneral ChemistryMass spectrometryBiochemistryCatalysisCrystalchemistry.chemical_compoundCrystallographyColloid and Surface ChemistrychemistryX-ray crystallographyMoleculeHexaphenylbenzeneJournal of the American Chemical Society
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Model for Solid State Voltammetry of Zeolite-Associated Species

2004

The electrochemical reduction/oxidation of zeolite-associated species is described from the model of Lovric and Scholz for redox conductive microcrystals and the model of Andrieux and Saveant for redox polymers. It is assumed that the reaction starts at the three-phase boundary between electrode, zeolite particle, and electrolyte. From this point, the reaction zone grows while electrons and charge-balancing cations diffuse perpendicularly along the zeolite. As a result, at short times, a Cottrell-type behavior, controlled by the diffusion of electrolyte countercations in the zeolite can be expected. At larger times, a thin-layer response in which electron hopping between adjacent redox site…

CyclohexaneDiffusionInorganic chemistryElectrolyteElectrochemistryRedoxSurfaces Coatings and Filmschemistry.chemical_compoundchemistryElectrodeMaterials ChemistryPhysical and Theoretical ChemistryZeoliteVoltammetryThe Journal of Physical Chemistry B
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New Molecular Topologies by Fourfold Metathesis Reactions within a Hydrogen-Bonded Calix[4]arene Dimer

2003

A calix[4]arene tetrapentyl ether in the cone conformation substituted at its wide rim by four m-(omega-octenyloxy)phenyl urea groups forms hydrogen-bonded dimeric capsules in dichloromethane/benzene (95:5). Metathesis reaction with Grubbs' catalyst under high-dilution conditions (1.1 x 10(-4) M) followed by hydrogenation leads to a covalent connection of all the urea groups within a dimer. Three topologically different products may be expected in such a reaction: a bis[2]catenane, a doubly bridged monocatenane and a tetrabridged capsule. All three possible reaction products could be isolated in an overall yield up to 60 % for the separated and purified compounds. Their identification was b…

CyclohexaneStereochemistryDimerOrganic ChemistryCatenaneEtherGeneral ChemistryMetathesisCatalysischemistry.chemical_compoundCrystallographychemistryCovalent bondCalixareneSalt metathesis reactionChemistry - A European Journal
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Fluorescent Sensing of Maleate versus Fumarate by a Neutral Cyclohexane Based Thiourea Receptor.

2006

A new cyclohexyl based fluorescent anion receptor, is able to recognize maleate versus fumarate both as their TMA salts. Costero Nieto, Ana Maria, Ana.Costero@uv.es ; Colera Llavata, Manuel, Manuel.Colera@uv.es ; Gaviña Costero, Pablo, Pablo.Gavina@uv.es ; Gil Grau, Salvador, Salvador.Gil@uv.es

CyclohexaneUNESCO::QUÍMICAurologic and male genital diseases:QUÍMICA [UNESCO]Medicinal chemistryCatalysischemistry.chemical_compoundhemic and lymphatic diseasesNeutral cyclohexaneMaterials ChemistryFluorescentOrganic chemistryUNESCO::QUÍMICA::Química orgánicaReceptorneoplasmsAnion receptorThiourea receptorFumarateMaleate:QUÍMICA::Química orgánica [UNESCO]Metals and AlloysGeneral ChemistryGeneral MedicineFluorescenceSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsFluorescent ; Neutral cyclohexane ; Thiourea receptor ; Maleate ; FumarateThioureachemistryCeramics and CompositesChemInform
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Preparation and structure of pyrrolo[2,1-b]- and isoindolo[1,2-b][3,1]epoxyquinazolines

2007

Abstract Various γ-oxocarboxylic acids [aroylpropionic acids, cis-2-(4-methylbenzoyl)cyclohexanecarboxylic acid, diendo-3-benzoylbicyclo[2.2.1] heptane-2-carboxylic acid, formylbenzoic acid, methanobenzenecyclooctencarboxylic acid and the cyclopentadiene adduct of 3-trans-(4-methylbenzoyl)acrylic acid] were reacted with diexo-3-aminomethyl-7-oxabicyclo[2.2.1]hept-5-en-2-ylamine 2 to result in condensed pyrroloepoxyquinazolines 3–10. The starting 2 retained the diexo configuration, but cis → trans isomerization took place when cis-2-(4-methylbenzoyl)cyclohexanecarboxylic acid was applied. The structures, including the ring annelations and the position of the aryl group on the new chiral cent…

CyclopentadieneStereochemistryArylOrganic ChemistryDiastereomerNuclear magnetic resonance spectroscopyCyclohexanecarboxylic acidMedicinal chemistryAnalytical ChemistryAdductInorganic Chemistrychemistry.chemical_compoundchemistryIsomerizationSpectroscopyAcrylic acidJournal of Molecular Structure
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PDE4 inhibitors as new anti-inflammatory drugs: effects on cell trafficking and cell adhesion molecules expression.

2004

Phosphodiesterase 4 (PDE4) is a major cyclic AMP-hydrolyzing enzyme in inflammatory and immunomodulatory cells. The wide range of inflammatory mechanisms under control by PDE4 points to this isoenzyme as an attractive target for new anti-inflammatory drugs. Selective inhibitors of PDE4 have demonstrated a broad spectrum of anti-inflammatory activities including the inhibition of cellular trafficking and microvascular leakage, cytokine and chemokine release from inflammatory cells, reactive oxygen species production, and cell adhesion molecule expression in a variety of in vitro and in vivo experimental models. The initially detected side effects, mainly nausea and emesis, appear at least pa…

CyclopropanesChemokineCyclohexanecarboxylic Acidsmedicine.drug_classPhosphodiesterase Inhibitorsmedicine.medical_treatmentAnti-Inflammatory AgentsCarboxylic AcidsAminopyridinesInflammationPharmacologyAnti-inflammatoryPulmonary Disease Chronic ObstructiveIn vivoCell MovementNitrilesmedicineHumansPharmacology (medical)RoflumilastPharmacologybiologyCell adhesion moleculeChemistryCilomilastCyclic Nucleotide Phosphodiesterases Type 4Cytokine3'5'-Cyclic-AMP PhosphodiesterasesImmunologyBenzamidesbiology.proteinmedicine.symptomCell Adhesion Moleculesmedicine.drugPharmacologytherapeutics
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Novel σ1 antagonists designed for tumor therapy: Structure – activity relationships of aminoethyl substituted cyclohexanes

2021

Abstract Depending on the substitution pattern and stereochemistry, 1,3-dioxanes 1 with an aminoethyl moiety in 4-position represent potent σ1 receptor antagonists. In order to increase the stability, a cyclohexane ring first replaced the acetalic 1, 3-dioxane ring of 1. A large set of aminoethyl substituted cyclohexane derivatives was prepared in a six-step synthesis. All enantiomers and diastereomers were separated by chiral HPLC at the stage of the primary alcohol 7, and their absolute configuration was determined by CD spectroscopy. Neither the relative nor the absolute configuration had a large impact on the σ1 affinity. The highest σ1 affinity was found for cis-configured benzylamines…

DU145 tumor cellsCachannelPrimary alcohol01 natural sciencesAminoethylcyclohexanes; Antagonistic activity; Biotransformation; Ca; 2+; influx assay; Calculated free energy of binding; CD spectroscopy; Chiral HPLC; DU145 tumor cells; Inhibition of human prostate tumor cell growth; Lipophilicity; Molecular dynamics simulations; Molecular interactions; per-residue binding free energy; Selectivity; Stereochemistry; Structure affinity relationships; Voltage gated Ca; 2+; channel; σ receptors; σ; 1; receptor affinityInhibition of human prostate tumor cell growthStereochemistryDrug DiscoveryMoietySelectivityBiotransformationσ receptor0303 health sciencesChemistryAminoethylcyclohexanesCD spectroscopyAbsolute configurationAminoethylcyclohexaneMolecular interactionGeneral MedicineAntagonistic activityper-residue binding free energyreceptor affinityLipophilicityVoltage gated CaStereochemistry12+Calculated free energy of bindingRetinal ganglion03 medical and health sciencesσMolecular dynamics simulationChiral HPLCLipophilicityMolecular interactionsStructure affinity relationship030304 developmental biologyPharmacologyDU145 tumor cellinflux assayMolecular dynamics simulations010405 organic chemistryOrganic ChemistryDiastereomer0104 chemical sciencesChiral column chromatographyσ receptorsStructure affinity relationshipsEnantiomerEuropean Journal of Medicinal Chemistry
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Simultaneous clean up of fish fat containing low levels of residues and separation of PCB from chlorinated pesticides by thin-layer chromatography

1974

DichlorodiphenyldichloroethaneInsecticidesChromatography GasDichlorodiphenyl DichloroethyleneHealth Toxicology and MutagenesisToxicologyDDTAnimalsWater pollutionDieldrinChromatographyAldrinChemistryFishesPesticide ResiduesOxidesGeneral MedicineSulfuric AcidsPesticidePolychlorinated BiphenylsPollutionThin-layer chromatographyClean-upAdipose TissueWastewaterEnvironmental chemistrySolventsFish <Actinopterygii>Indicators and ReagentsChromatography Thin LayerHexachlorocyclohexaneAluminumBulletin of Environmental Contamination and Toxicology
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Theoretical and structural studies of lithium cyclic amide conformations. Monomers and aggregates

2000

High level ab initio calculations on the conformations of unsolvated and solvated lithium piperidide, 1, and lithium morpholide, 2, were carried out. It was found that both monomers exhibit a global minimum for a chair structure with a planar nitrogen, and 2 shows an additional stable pseudo boat conformation. Dimers and amine–lithium amide mixed aggregates were also calculated including discrete solvation; the role of aggregation is clearly shown both by the changes in geometries and in the stabilization energies. Semiempirical calculations carried out on a recently synthesized tetrameric mixed aggregate give a geometry very similar to the structure determined by X-ray diffraction. The pre…

Diffractionchemistry.chemical_compoundCrystallographyMonomerchemistryComputational chemistryAb initio quantum chemistry methodsAmideCyclohexane conformationSolvationchemistry.chemical_elementLithiumCarbonylationJournal of the Chemical Society, Perkin Transactions 2
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