Search results for "Pyran"

showing 10 items of 224 documents

Ground- and First-Excited-Singlet-State Electric Dipole Moments of Some Photochromic Spirobenzopyrans in Their Spiropyran and Merocyanine Form

2002

The dipole moments of four photochromic derivatives of indolinospirobenzopyran have been studied in their spiro and their open merocyanine form, in dioxane. Determinations have been done by electrooptical absorption measurements (EOAM). To prepare either a pure spiropyran or a pure merocyanine form solution, the experimental setup had to be modified by addition of a second light beam. In this way thermal equilibration between the spiropyran and the merocyanine form and switching from one form to the other induced by the measuring light beam could be avoided. The ground-state dipole moment of the spiro form amounts to (10−15) × 10-30 C m and increases strongly to about 60 × 10-30 C m with th…

SpiropyranPhotochromismchemistry.chemical_compoundDipoleChemistryMoment (physics)Light beamMerocyaninePhysical and Theoretical ChemistryAbsorption (chemistry)PhotochemistryExcitationThe Journal of Physical Chemistry A
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Ultrafast ring-opening/closing and deactivation channels for a model spiropyran-merocyanine system.

2011

The photochemistry of a model merocyanine-spiropyran system was analyzed theoretically at the MS-CASPT2//SA-CASSCF(14,12) level. Several excited singlet states were studied in both the closed spiropyran and open merocyanine forms, and the paths to the different S(1)/S(0) conical intersections found were analyzed. After absorption of UV light from the spiropyran form, there are two possible ultrafast routes to efficient conversion to the ground state; one involves the rupture of the C(spiro)-O bond leading to the open form and the other involves the lengthening of the C(spiro)-N bond with no photoreaction. From the merocyanine side the excited state can reach a very broad S(1)/S(0) conical i…

Spiropyranchemistry.chemical_compoundChemistryExcited stateMerocyanineConical surfacePhysical and Theoretical ChemistryConical intersectionRing (chemistry)PhotochemistryGround stateRotationThe journal of physical chemistry. A
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Unusual interaction extended between the pyranose ring oxygen and Zn(II) center in the complexes derived from 4,6-O-butylidene/ethylidene-N-(α-hydrox…

2003

The Zn(II) complexes of 4,6-O-butylidene/ethylidene-N-(α-hydroxynaphthylidene/o-hydroxybenzylidene)-β-Image -glucopyranosylamine have been synthesized and characterized using spectral and analytical methods and structure for one of the products was established. The geometry of the complexes vary from unusual distorted trigonal bipyramidal to pseudo-bicapped tetrahedron depending upon the extent of binding of pyranose ring oxygens to the Zn(II) ion, as evidenced from crystal structures. Such interaction is also reflected on the optical rotation and CD spectral properties of these complexes in solution.

StereochemistryCenter (category theory)chemistry.chemical_elementPyranose Ring OxygenCrystal structureOxygenIonInorganic ChemistryCrystallographyTrigonal bipyramidal molecular geometryPseudo Bicapped TetrahedronchemistryPyranoseZn(Ii) ComplexesMaterials ChemistryTetrahedronPhysical and Theoretical ChemistryOptical rotationInorganic Chemistry Communications
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Synthesis of benzopyran derivatives as PPARα and/ or PPARγ activators

2019

International audience; We describe the synthesis of 26 compounds, small polycerasoidol analogs, that are Lipinski’s rule-of-five compliant. In order to confirm key structural features to activate PPARα and/or PPARγ, we have adopted structural modifications in the following parts: (i) the benzopyran core (hydrophobic nucleus) by benzopyran-4-one, dihydrobenzopyran or benzopyran-4-ol; (ii) the side chain at 2-position by shortening to C3, C4 and C5-carbons versus C-9-carbons of polycerasoidol; (iii) the carboxylic group (polar head) by oxygenated groups (hydroxyl, acetoxy, epoxide, ester, aldehyde) or non-oxygenated motifs (allyl and alkyl). Benzopyran-4-ones 6, 12, 13 and 17 as well as dihy…

StereochemistryClinical BiochemistryPharmaceutical ScienceEpoxide01 natural sciencesBiochemistryAldehydechemistry.chemical_compoundStructure-Activity RelationshipDrug DiscoverySide chainMolecule[CHIM]Chemical SciencesBenzopyransPPAR alphaMolecular BiologyAlkylchemistry.chemical_classificationMolecular Structure010405 organic chemistryChemistryOrganic Chemistry3. Good health0104 chemical sciencesBenzopyranPPAR gamma010404 medicinal & biomolecular chemistryDocking (molecular)Molecular MedicineLinker
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Regioselective Epoxide Ring Opening. Steroselective Synthesis of a Tetrahydropyran Ring

1998

The stereoselective synthesis of a 2-substituted tetrahydropyran with adjacent alkoxy-bearing stereogenic centre is described. The key steps of this synthesis were the stereoselective epoxidation of an allylic alcohol and the regioselective epoxide ring opening by lithium aluminum hydride. The regio and stereoselective synthesis of a trihydroxyselenide and a trihydroxysulfide is also described. The latter compounds are not suitable for cyclization to tetrahydrofuran ring.

StereochemistryOrganic ChemistryALUMINUM HYDRIDERegioselectivityEpoxideTetrahydropyranSettore CHIM/06 - Chimica OrganicaRing (chemistry)Stereocenterchemistry.chemical_compoundchemistryepoxideStereoselectivityTetrahydrofuran
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Synthesis, benzodiazepine receptor binding and molecular modelling of isochromeno[4,3-c]pyrazol-5(1H)-one derivatives

2012

Abstract A series of isochromeno[4,3-c]pyrazole-5(1H)-one derivatives 7b–h were prepared and tested at 10 μM for their ability to displace specific [3H]flunitrazepam from bovine brain membranes. The substitution pattern of the above derivatives was shown to influence the receptor affinity. The most active compound of the series was 7e, showing a 54% inhibition of [3H]flunitrazepam binding. Compounds 7a–d,i were compared with the known isomers chromeno[4,3-c]pyrazole-4(1H)-ones 14a–d,i, showing that the isochromene/chromene isomerism influences the activity.

StereochemistryProtein ConformationChemistry Techniques SyntheticIsochromeno[43-c]pirazoles Dihydrospiro[isoindole-13’-pyrazol]-3(2H)- ones Benzodiazepine receptorDrug DiscoverymedicineAnimalsHumansBenzopyransReceptorBenzodiazepine receptor bindingPharmacologyChemistryOrganic ChemistryGeneral MedicineReceptors GABA-ASettore CHIM/08 - Chimica FarmaceuticaMolecular Docking SimulationMembraneBovine brainActive compoundPyrazolesCattleFlunitrazepam bindingFlunitrazepammedicine.drugProtein Binding
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ChemInform Abstract: Stereoselective Synthesis of Substituted Tetrahydropyran Rings via 6-exo and 6-endo Selenoetherification.

2010

Eight unsaturated alcohols were cyclized by selenoetherification in 6-exo or 6-endo manner to give substituted tetrahydropyran rings. Yields, regio- and stereoselectivities were discussed in terms of steric and electroniceffects such as Se-O interaction. For the first time examples of the use of silica gel in selenoetherification and the effect of the X - counter ion of PhSe + on the reaction course are discussed. These effects are related to the occurrence of Se-O interaction.

Steric effectschemistry.chemical_classificationchemistry.chemical_compoundchemistrySilica gelOrganic chemistryStereoselectivityGeneral MedicineTetrahydropyranCounterionChemInform
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100-millisecond Resolution for Accurate Overirradiance Measurements

2013

Cloud enhancement of sunlight results in peak irradiance well exceeding extraterrestrial levels, even at high latitudes. Values above 1.8 kW/m2 are possible in the equatorial regions. Recently, we detected bursts over 1.5 kW/m2 in Northern Europe at latitude close to 60°N. Overirradiance events (intensities much higher than 1 sun) can last tens of minutes, as well as less than 1 s. They may have caused series arcing in photovoltaic modules, leading to fires and loss of property. The accurate measurement of short bursts requires sensors with response times on the order of milliseconds. The long response times of thermopile pyranometers smooth out important details of very short-lived peaks a…

SunlightMillisecondPyranometerResolution (electron density)IrradianceSampling (statistics)Environmental scienceElectrical and Electronic EngineeringCondensed Matter PhysicsThermopileElectronic Optical and Magnetic MaterialsRemote sensingLatitudeIEEE Journal of Photovoltaics
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α-d-Glucopyranose Adsorption on a Pd30 Cluster Supported on Boron Nitride Nanotube

2016

Boron nitride nanotube (BNNT) as an innovative support for carbohydrate transformation processes was evaluated, using density functional theory. The α-d-glucopyranose adsorption on a Pd30 cluster, supported on BNNT, was used to check both the local activity of topologically different metallic sites and the effects of the proximity of the BNNT surface to the same metallic sites. Detailed geometrical and electronic analyses performed on Pd30/BNNT and α-d-glucopyranose/Pd30/BNNT systems were discussed. It was observed that the deposition of the Pd30 cluster onto the BNNT support gives rise to an electronic rearrangement, determining a charge transfer from the support to the adsorbed metal clus…

Surface site reactivityChemical substanceNanotechnologyElectron donor02 engineering and technology010402 general chemistryDFT01 natural sciencesBoron nitride nanotubeCatalysisCatalysiCatalysisMetalchemistry.chemical_compoundAdsorptionSupported palladium catalystCluster (physics)Chemistry (all)Molecular electrostatic potentialGeneral Chemistry021001 nanoscience & nanotechnologyBoron nitride nanotube; DFT; Molecular electrostatic potential; Supported palladium catalyst; Surface site reactivity; α-d-Glucopyranose adsorption; Catalysis; Chemistry (all)0104 chemical scienceschemistryChemical physicsvisual_artα-d-Glucopyranose adsorptionvisual_art.visual_art_mediumDensity functional theory0210 nano-technologyScience technology and societyTopics in Catalysis
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Oleuropein protects against dextran sodium sulfate-induced chronic colitis in mice.

2013

The anti-inflammatory effect of oleuropein (1), the major phenolic secoiridoid in Olea europaea, was evaluated in an experimental model of chronic colitis in mice. Animals were exposed to four repeated cycles of dextran sodium sulfate in drinking water followed by a 7-day rest period. Animals receiving a standard diet supplemented with 0.25% of 1 (equivalent to 500 mg/kg/day) for 56 days exhibited a decrease of inflammatory symptoms, as reflected by improvement of disease activity index and histopathological changes. It was found that 1 decreased inflammatory cell recruitment and the release of inflammatory cytokines interleukin (IL)-1β and IL-6 with increased IL-10 levels in colon tissue. …

T-LymphocytesInterleukin-1betaIridoid GlucosidesAnti-Inflammatory AgentsPharmaceutical ScienceNitric Oxide Synthase Type IIPharmacologyp38 Mitogen-Activated Protein KinasesAnalytical Chemistrychemistry.chemical_compoundMiceOleuropeinOleaDrug DiscoveryAnimalsIridoidsIntestinal MucosaChronic colitisPyransPharmacologybiologyMolecular StructureExperimental modelInterleukin-6Organic ChemistryDextran Sulfatebiology.organism_classificationColitisInterleukin-10Mice Inbred C57BLComplementary and alternative medicinechemistryOleaCyclooxygenase 2Molecular MedicineDextran sodium sulfateJournal of natural products
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