Search results for "Alcohols"

showing 10 items of 150 documents

New antitumoral acetogenin ‘Guanacone type’ derivatives: Isolation and bioactivity. Molecular dynamics simulation of diacetyl-guanacone

2007

We describe herein the isolation and semisynthesis of four acetogenin derivatives (1-4) as well as their ability to inhibit the mitochondrial respiratory chain and several tumor cell lines. In addition, four nanoseconds (ns) of MD simulation of compound 4, in a fully hydrated POPC bilayer, is reported.

Models MolecularMagnetic Resonance SpectroscopyAcetogeninsStereochemistryLipid BilayersClinical BiochemistryMolecular ConformationRespiratory chainPharmaceutical ScienceBiochemistryChemical synthesisAnnonaElectron TransportLactoneschemistry.chemical_compoundPolyketideCell Line TumorDrug DiscoveryHumansComputer SimulationFuransMolecular BiologyPOPCBilayerOrganic ChemistryHydrogen BondingAntineoplastic Agents PhytogenicSemisynthesisMitochondrial respiratory chainchemistrySeedsAcetogeninPhosphatidylcholinesMolecular MedicineIndicators and ReagentsFatty AlcoholsBioorganic & Medicinal Chemistry
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Active surfaces engineered by immobilizing protein-polymer nanoreactors for selectively detecting sugar alcohols.

2016

We introduce active surfaces generated by immobilizing protein-polymer nanoreactors on a solid support for sensitive sugar alcohols detection. First, such selective nanoreactors were engineered in solution by simultaneous encapsulation of specific enzymes in copolymer polymersomes, and insertion of membrane proteins for selective conduct of sugar alcohols. Despite the artificial surroundings, and the thickness of the copolymer membrane, functionality of reconstituted Escherichia coli glycerol facilitator (GlpF) was preserved, and allowed selective diffusion of sugar alcohols to the inner cavity of the polymersome, where encapsulated ribitol dehydrogenase (RDH) enzymes served as biosensing e…

Models MolecularMaterials scienceMembrane permeabilityPolymersSurface PropertiesBiophysicsBioengineering02 engineering and technologyNanoreactorBiosensing Techniques010402 general chemistryRibitolAquaporins01 natural sciencesPermeabilityBiomaterialschemistry.chemical_compoundSugar AlcoholsEscherichia coliOrganic chemistrySugar alcoholRibitolchemistry.chemical_classificationEscherichia coli Proteins021001 nanoscience & nanotechnology0104 chemical sciencesNanostructuresMembraneImmobilized ProteinschemistryMechanics of MaterialsPolymersomeCeramics and Composites0210 nano-technologyBiosensorSugar Alcohol DehydrogenasesSugar Alcohol DehydrogenasesBiomaterials
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Syntheses and structural study of bile acid amidoalcohols.

2008

Preparation, structural and thermoanalytical characterization of fourteen N-hydroxyalkyl 5beta-cholan-24-amides have been performed in this study. The utilized techniques include liquid state and CP-MAS 13C NMR spectroscopy, thermogravimetry, differential scanning calorimetry, and also powder and single crystal X-ray crystallography. The results were discussed and compared to each other and also to previous findings on similar compounds. One pure hydrate form was obtained. Six new single crystal structures were determined, including one hydrated chloroform solvate. Decomposition temperatures were found to correlate with the side chain length, and the number of the hydroxyl groups. The spati…

Models MolecularSpectrometry Mass Electrospray IonizationMagnetic Resonance SpectroscopyClinical BiochemistryCalorimetryCrystallography X-RayBiochemistryBile Acids and Saltschemistry.chemical_compoundEndocrinologyDifferential scanning calorimetrySide chainMolecular BiologyPharmacologyChloroformCalorimetry Differential ScanningMolecular StructureChemistryOrganic ChemistryNuclear magnetic resonance spectroscopyAmidesThermogravimetryCrystallographyAlcoholsHydrateSingle crystalSteroids
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Ligand structures of synthetic deoxa-pyranosylamines with raucaffricine and strictosidine glucosidases provide structural insights into their binding…

2014

Insight into the structure and inhibition mechanism of O-β-d-glucosidases by deoxa-pyranosylamine type inhibitors is provided by X-ray analysis of complexes between raucaffricine and strictosidine glucosidases and N-(cyclohexylmethyl)-, N-(cyclohexyl)- and N-(bromobenzyl)-β-d-gluco-1,5-deoxa-pyranosylamine. All inhibitors anchored exclusively in the catalytic active site by competition with appropriate enzyme substrates. Thus facilitated prospective elucidation of the binding networks with residues located at <3.9 A distance will enable the development of potent inhibitors suitable for the production of valuable alkaloid glucosides, raucaffricine and strictosidine, by means of synthesis in …

Models MolecularStereochemistryCyclopentanesLigandsRauwolfiaStructure-Activity RelationshipSugar AlcoholsRauvolfia serpentinaDrug DiscoveryHydrolasePharmacologychemistry.chemical_classificationBinding SitesDose-Response Relationship DrugMolecular StructurebiologyAlkaloidActive siteGeneral Medicinebiology.organism_classificationLigand (biochemistry)EnzymeBiochemistrychemistryStrictosidinebiology.proteinGlucosidasesGlucosidasesJournal of Enzyme Inhibition and Medicinal Chemistry
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Multifaceted Palladium Catalysts Towards the Tandem Diboration-Arylation Reactions of Alkenes

2008

Novel Pd(2) (6+) compounds have been synthesized in high yield. These compounds and their Pd(2) (4+) counterparts as synthetic precursors mediate the diboration of vinylarenes and aliphatic 1-alkenes, and under mild and basic reaction conditions they produce a variety of 1,2-diboronate esters with excellent conversions and chemoselectivities. The presence of bis(catecholato)diboron (B(2)cat(2)) favours the reduction of Pd(III) to Pd(II), while the catalytic precursor of Pd(II) is transformed into Pd(0)-nanoparticles. An "in situ" catalytic tandem reaction has been designed to transform the diboronate intermediates into the monoarylated product, which after oxidative workup, provides the car…

Models MolecularTime Factorschemistry.chemical_elementStereoisomerismAlkenesCrystallography X-RayCatalysisAdductCatalysisCascade reactionOrganometallic CompoundsOrganic chemistryParticle SizeChemoselectivitychemistry.chemical_classificationMolecular StructureChemistryAlkeneOrganic ChemistryStereoisomerismGeneral ChemistryBoronic AcidsCombinatorial chemistryAlcoholsYield (chemistry)PalladiumPalladiumChemistry - A European Journal
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The Antigerminative Activity of Twenty-Seven Monoterpenes

2010

Made available in DSpace on 2013-08-28T14:11:28Z (GMT). No. of bitstreams: 1 WOS000282221100055.pdf: 183420 bytes, checksum: 31d5a1904cd2424113da7989e2e65f14 (MD5) Made available in DSpace on 2013-09-30T18:36:29Z (GMT). No. of bitstreams: 2 WOS000282221100055.pdf: 183420 bytes, checksum: 31d5a1904cd2424113da7989e2e65f14 (MD5) WOS000282221100055.pdf.txt: 26866 bytes, checksum: 653cedb4f682463998ef7f37cae8dd63 (MD5) Previous issue date: 2010-09-01 Submitted by Vitor Silverio Rodrigues (vitorsrodrigues@reitoria.unesp.br) on 2014-05-20T13:48:46Z No. of bitstreams: 2 WOS000282221100055.pdf: 183420 bytes, checksum: 31d5a1904cd2424113da7989e2e65f14 (MD5) WOS000282221100055.pdf.txt: 26866 bytes, ch…

MonoterpenePharmaceutical ScienceRaphanusphytotoxicityBiologyradicle elongationArticleLepidium sativumRaphanusAnalytical ChemistryBorneollcsh:QD241-441Structure-Activity Relationshipchemistry.chemical_compoundlcsh:Organic chemistryDrug DiscoveryBotanyRadiclePhysical and Theoretical ChemistryCarvoneDose-Response Relationship DrugOrganic Chemistrymonoterpenesfood and beveragesbiology.organism_classificationHorticultureEucalyptolgerminationchemistryChemistry (miscellaneous)GerminationAlcoholsSeedsMonoterpenesMolecular Medicinemonoterpenes; germination; radicle elongation; phytotoxicityGeraniolMolecules
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Ursolic acid from the Chinese herb Danshen (Salvia miltiorrhiza L.) upregulates eNOS and downregulates Nox4 expression in human endothelial cells

2007

Danshen, the dried root of Salvia miltiorrhiza Bunge (Lamiaceae), is one of the most commonly used traditional Chinese medicines for cardiovascular indications. In EA.hy 926 cells, a cell line derived from human umbilical vein endothelial cells (HUVEC), an aqueous extract of danshen, and also a methanol extract of the plant, increased eNOS promoter activity, eNOS mRNA and protein expression, as well as endothelial NO production. A dichloromethane extract, in contrast, did not change eNOS gene expression. Thus, the active danshen constituent(s) responsible for eNOS upregulation is (are) hydrophilic and/or alcohol-soluble. One such compound is ursolic acid that significantly increased eNOS ex…

Nitric Oxide Synthase Type IIIEndotheliumSalvia miltiorrhizaBiologyPharmacologySalvia miltiorrhizaGene Expression Regulation Enzymologicchemistry.chemical_compoundRibonucleasesUrsolic acidDownregulation and upregulationGenes ReporterEnosmedicineHumansRNA MessengerCells CulturedNADPH oxidasePlant ExtractsMethanolNADPH OxidasesNOX4biology.organism_classificationTriterpenesNitric oxide synthaseOxidative Stressmedicine.anatomical_structureBiochemistrychemistryNADPH Oxidase 4Alcoholsbiology.proteinEndothelium VascularCardiology and Cardiovascular MedicineAtherosclerosis
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A catalytic highly enantioselective direct synthesis of 2-bromo-2-nitroalkan-1-ols through a Henry reaction.

2008

Highly enantiomerically enriched 2-bromo-2-nitroalkan-1-ols are prepared by direct condensation of aliphatic and aromatic aldehydes with bromonitromethane in the presence of a catalytic amount of copper(II) acetate and a C1-symmetric camphorderived amino pyridine ligand. Blay Llinares, Gonzalo, Gonzalo.Blay@uv.es ; Hernandez Olmos, Victor, Victor.Hernandez@uv.es ; Pedro Llinares, Jose Ramon, Jose.R.Pedro@uv.es

Nitroaldol reactionEnrichedCondensationPyridinesBromonitromethaneUNESCO::QUÍMICACatalytic ; Synthesis ; Henry reaction ; Enriched ; CondensationMolecular Conformationchemistry.chemical_elementAcetatesLigands:QUÍMICA [UNESCO]CatalysisCatalysisSynthesisMaterials ChemistryOrganic chemistryCatalyticAldehydesEthaneChemistryUNESCO::QUÍMICA::Química inorgánicaCondensationMetals and AlloysEnantioselective synthesisStereoisomerismGeneral Chemistry:QUÍMICA::Química inorgánica [UNESCO]Nitro CompoundsCopperPyridine ligandSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsAlcoholsCeramics and CompositesHenry reactionCopperChemical communications (Cambridge, England)
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Chiral Oxazolidine Complexes Derived from Phenolic Schiff Bases

2020

Schiff bases derived from pyridyl- or salicyl-aldehydes and aminoalcohols can evolve to heterocyclic oxazolidines, which in the presence of cations allow the formation of uncommon coordination compounds. In this work, we report new NiII and mixed valence MnII/ MnIV complexes derived from pyridyl oxazolidines and the unprecedented characterization of enantiomerically pure oxazolidines derived from the condensation of o-vanillin with phenylglycinol in the presence of NiII cations. The different reactivity of the pyridinic or phenolic Schiff bases has been compared, and the new systems have been structurally, optically, and magnetically characterized.

OxazolidinePropietats magnètiques010405 organic chemistryLigands (Biochemistry)Lligands (Bioquímica)General Chemistry010402 general chemistryCondensed Matter Physics01 natural sciences0104 chemical scienceschemistry.chemical_compoundchemistryAlcoholsMagnetic propertiesPolymer chemistryGeneral Materials ScienceCrystal Growth &amp; Design
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Computational Investigation of Alkynols and Alkyndiols Hydrogenation on a Palladium Cluster

2013

The reaction path leading to the partial and total reduction of alkynols and alkyndiols with general formula R–CH2–C≡C–CH(OH)–R′ and R–CH(OH)–C≡C–CH(OH)–R′ (R, R′ = H, CH3) on a D3h symmetry Pd9 cl...

Palladium cluster hydrogenation reactions unsaturated alcoholschemistry.chemical_elementPhotochemistrySymmetry (physics)3. Good healthSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsReduction (complexity)General EnergychemistryCluster (physics)Physical chemistryReaction pathPhysical and Theoretical ChemistryPalladiumThe Journal of Physical Chemistry C
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