Search results for "molecular structure"

showing 10 items of 1246 documents

Left, Right, or Both? On the Configuration of the Phenanthroindolizidine Alkaloid Tylophorine from Tylophora indica

2013

The alkaloid (-)-tylophorine was isolated from a sample of Tylophora indica, and the crude extract was analyzed by HPLC/MS(n) and chiral HPLC/MS. While the literature states that the naturally occurring form of this alkaloid is the R-enantiomer and that its S-antipode is usually not found in nature, we confirmed the hypothesis of Govindachari and Nagarajan that natural levorotatory tylophorine is indeed a nearly racemic mixture with a slight excess of the R-enantiomer.

PharmacologyMolecular StructureChemistryAlkaloidOrganic ChemistryIndolizinesPharmaceutical ScienceTylophoraPhenanthrenesHigh-performance liquid chromatographyLevorotatoryAnalytical ChemistryChiral column chromatographyAlkaloidsTylophora indicaComplementary and alternative medicineDrug DiscoveryMolecular MedicineOrganic chemistryRacemic mixturePhenanthrolinesJournal of Natural Products
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Peptide Metal–Organic Frameworks for Enantioselective Separation of Chiral Drugs

2017

We report the ability of a chiral Cu(II) 3D MOF based on the tripeptide Gly-L-His-Gly (GHG) for the enantioselective separation of metamphetamine and ephedrine. Monte Carlo simulations suggest that chiral recognition is linked to preferential binding of one of the enantiomers as result of either stronger or additional H-bonds with the framework that lead to energetically more stable diastereomeric adducts. Solid phase extraction (SPE) of a racemic mixture by using Cu(GHG) as extractive phase permits isolating more than 50% of the (+)-ephedrine enantiomer as target compound in only four minutes. To the best of our knowledge, this represents the first example of a MOF capable of separating ch…

StereoisomerismTripeptideMolecular Dynamics Simulation010402 general chemistry01 natural sciencesBiochemistryCatalysisMethamphetamineColloid and Surface ChemistryOrganic chemistryMoleculeMetal-Organic FrameworksEphedrineMolecular Structure010405 organic chemistryChemistryDiastereomerEnantioselective synthesisStereoisomerismQuímicaGeneral ChemistryCombinatorial chemistry0104 chemical sciences13. Climate actionRacemic mixtureMetal-organic frameworkPèptidsEnantiomerPeptidesMonte Carlo MethodCopperJournal of the American Chemical Society
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Stimuli-responsive bile acid-based metallogels forming in aqueous media

2015

Abstract The synthesis and gelation properties of a picolinic acid conjugated bile acid derivative in the presence of metal salts along with the stimuli-responsiveness of the systems are reported. The gels are formed in the presence of Cu 2+ ions in the solvent systems composed of 30–50% of organic solvent (MeOH, acetonitrile, or acetone) in water. The gels respond to various stimuli: they can be formed upon sonication or shaking, and their gel–sol transformation can be triggered by a variety of chemical species. NMR, MS, and SEM techniques are exploited in order to gain a deeper insight on the self-assembled systems.

medicine.drug_classSonicationClinical BiochemistryConjugated systemPicolinic acidBiochemistrystimuli-responsiveBile Acids and Saltschemistry.chemical_compoundpicolinic acidEndocrinologyAcetonemedicineOrganic chemistrybile acidPicolinic AcidsAcetonitrileMolecular Biologyta116PharmacologyMolecular StructureBile acidOrganic Chemistryself-assemblyAmideschemistrySelf-assemblymetallogelGelsCopperDerivative (chemistry)Steroids
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Crystal structure of [tris(4,4-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate

2016

In the title hydrated salt, which was obtained from the hydro­thermal reaction between between potassium 1,1,3,3-tetra­cyano-2-eth­oxy­propenide and 4,4′-bi­pyridine in the presence of iron(II) sulfate hepta­hydrate, the ionic components are linked into a three-dimensional network by C—H⋯N hydrogen bonds.

crystal structureStereochemistryIonic bondingmolecular structureCrystal structurehydro­thermal synthesis010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch Communicationslaw.inventionlcsh:Chemistrychemistry.chemical_compoundpolynitrile anionslawPyridineMoleculeGeneral Materials ScienceHydrothermal synthesisQDCrystallizationta215ta116mol­ecular structureHydrogen bondChemistryDASGeneral ChemistryCondensed Matter PhysicsQD Chemistryhydrogen bonding0104 chemical sciences44'-BipyridineCrystallographyhydrothermal synthesislcsh:QD1-999HydrateMolecular structure
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Oxidation of aromatic alcohols in irradiated aqueous suspensions of commercial and home-prepared rutile TiO(2): a selectivity study.

2008

WOS: 000256241700021

oxidationPhotochemistryUltraviolet RaysAlcoholAnisolesAldehydeAlcohols Oxidation Photocatalysis Rutile SelectivityCatalysisCatalysisalcoholschemistry.chemical_compoundX-Ray DiffractionOrganic chemistryReactivity (chemistry)chemistry.chemical_classificationTitaniumSettore ING-IND/24 - Principi Di Ingegneria ChimicaAqueous solutionalcohols;oxidation;photocatalysis;rutile;selectivityMolecular StructureOrganic ChemistryselectivityWaterGeneral ChemistrychemistryBenzyl alcoholPhotocatalysisSettore CHIM/07 - Fondamenti Chimici Delle TecnologieSelectivityrutilephotocatalysisOxidation-ReductionBenzyl AlcoholChemistry (Weinheim an der Bergstrasse, Germany)
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Stereoselective Synthesis of (+)-11βH,13-Dihydroestafiatin, (+)-11βH,13-Dihydroludartin, (−)-Compressanolide, and (−)-11βH,13-Dihydromicheliolide fro…

2002

Starting from 2 and 3, obtained from santonin (1), we have synthesized natural guaianolides 4-7. Chemoselective epoxidation of 2 gave (+)-11betaH,13-dihydroestafiatin (4), and epoxidation of 3 followed by regioselective elimination of the hydroxyl group afforded (+)-11betaH,13-dihydroludartin (5). Sharpless' mild regioselective ring-opening of 4 and 5 followed by hydrogenolysis yielded (-)-compressanolide (6) and (-)-11betaH,13-dihydromicheliolide (7), respectively.

StereochemistryPharmaceutical ScienceChemical synthesisCatalysisAnalytical ChemistryLactoneschemistry.chemical_compoundHydrogenolysisDrug DiscoveryChemoselectivityNuclear Magnetic Resonance BiomolecularBond cleavageSantoninPharmacologychemistry.chemical_classificationMolecular StructureChemistryOrganic ChemistryRegioselectivityStereoisomerismComplementary and alternative medicineCyclizationMolecular MedicineStereoselectivitySantoninLactoneJournal of Natural Products
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A new oleanane glycoside from the roots ofAstragalus caprinus

2006

A novel oleanane-type triterpene saponin (1) together with two known molecules, soyasapogenol B and astragaloside VIII were isolated from the roots of Astragalus caprinus. Their structural elucidation was performed mainly by 2D NMR techniques (COSY, TOCSY, NOESY, HSQC, HMBC) and mass spectrometry. Compound 1 was determined as 3-O-[alpha-L-rhamnopyranosyl-(1 --> 2)-beta-D-glucuronopyranosyl]-22-O-beta-D-apiofuranosyl-soyasapogenol B.

chemistry.chemical_classificationMagnetic Resonance SpectroscopyMolecular StructureChemistryStereochemistrySaponinGlycosideAstragalus PlantGeneral ChemistryNuclear magnetic resonance spectroscopyPlant Rootschemistry.chemical_compoundAstragalosideTriterpeneOrganic chemistryGeneral Materials ScienceGlycosidesOleanolic AcidOleananeTwo-dimensional nuclear magnetic resonance spectroscopyHeteronuclear single quantum coherence spectroscopyMagnetic Resonance in Chemistry
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Adsorption of Rare Earth Elements onto DNA-Functionalized Mesoporous Carbon.

2020

The recovery and separation of rare earth elements (REEs) are of national importance owing to the specific usages, high demand, and low supply of these elements. In this research, we have investigated the adsorption of rare earth elements onto DNA-functionalized mesoporous carbons with a BET surface area of 605 m2/g and a median mesopore width of 48 A. Three types of single-stranded DNA, one with 100 base units of thymine, another with 20 units of thymine, and the third, a 2000 unit long DNA from salmon milt were grafted on the carboxylated mesoporous carbon surface. All of the DNA-functionalized mesoporous carbons demonstrated higher adsorption of REEs compared to pristine mesoporous carbo…

LanthanideMaterials scienceSurface PropertiesInorganic chemistrychemistry.chemical_element02 engineering and technology010402 general chemistry01 natural sciencesMetalAdsorptionGeneral Materials ScienceParticle SizeNeodymiumExtended X-ray absorption fine structureMolecular StructureDNA021001 nanoscience & nanotechnologyCarbon0104 chemical scienceschemistryvisual_artvisual_art.visual_art_mediumAdsorptionAbsorption (chemistry)0210 nano-technologyMesoporous materialCarbonPorosityBET theoryACS applied materialsinterfaces
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A Highly Active System for the Metal-Free Aerobic Photocyanation of Tertiary Amines with Visible Light: Application to the Synthesis of Tetraponerine…

2015

A highly efficient metal-free catalytic system for the aerobic photocyanation of tertiary amines with visible light is reported. The use of air as terminal oxidant offers an improved safety profile compared with pure oxygen, the used compact fluorescent lamp (CFL) light sources are highly economical, and no halogenated solvents are required. This system not only proves to be effective for a wide variety of trialkylamines, pharmaceuticals, and alkaloids but remarkably also allows the lowest catalyst loading (0.00001 mol% or 0.1 ppm) ever reported for an organic dye. Bruylants reactions and C-alkylation/decyanations were performed on the obtained α-aminonitriles to demonstrate the postfunctio…

AlkylationLightMolecular Structure010405 organic chemistryChemistryOrganic ChemistryTotal synthesisActive systemsGeneral ChemistryAlkylationIsoquinolines010402 general chemistry01 natural sciencesCatalysis0104 chemical sciencesCatalysisAlkaloidsMetal freeMetalsPhotocatalysisOrganic chemistryMoleculeAminesOxidation-ReductionVisible spectrumChemistry - A European Journal
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Bis(hydroxyphenyl)methane-bisphenol F-metabolism by the HepG2 human hepatoma cell line and cryopreserved human hepatocytes

2011

author cannot archive publisher's version/PDF; International audience; Bisphenol F (BPF) is present in the environment and as a contaminant of food. Humans may, therefore, be exposed to BPF, and an assessment of this risk is required. BPF has been shown to have genotoxic and endocrine-disruptor properties in a human hepatoma cell line (HepG2), which is a model system for studies of xenobiotic toxicity. In this study, we investigated the ability of HepG2 cells to biotransform BPF, because metabolism may affect the observed effects of BPF, and we compared this metabolic capacity with that of human hepatocytes. Cells were incubated for 24 hours with [(3)H]-BPF. The culture medium was then conc…

Bisphenol FHealth Toxicology and MutagenesisestrogenicityCell Culture Techniques010501 environmental sciencesToxicology01 natural sciencesMass SpectrometryCryopreservationchemistry.chemical_compoundenzyme level[SDV.IDA]Life Sciences [q-bio]/Food engineeringperformance liquid chromatographyratLuciferasesinductionChromatography High Pressure Liquidendocrine disruptor0303 health sciencesfood and environmental contaminantMolecular StructureHep G2 CellsGeneral MedicineBiochemistryHepg2 cellsin vitro modeldispositionToxicityEnvironmental Pollutantsliver enzymebiotransformationGlucuronidePlasmidsBiologyTransfectionliver03 medical and health sciencesHumans[SPI.GPROC]Engineering Sciences [physics]/Chemical and Process EngineeringBenzhydryl Compounds030304 developmental biology0105 earth and related environmental sciencesCryopreservationPharmacologyChemical Health and Safetyactivitybisphenol aEstrogen Receptor alphaPublic Health Environmental and Occupational HealthMetabolismbeta-GalactosidaseHepatoma cell linechemistryHepatocytesXenobiotic
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