Search results for "Heptanes"

showing 7 items of 7 documents

Application of headspace solid phase dynamic extraction gas chromatography/mass spectrometry (HS-SPDE-GC/MS) for biomonitoring of n-heptane and its m…

2011

Abstract Solid phase dynamic extraction (SPDE) is an innovative sample preparation and enrichment technique in connection with gas chromatography (GC). Using SPDE, we developed a method for simultaneous determination of n-heptane and its mono-oxygenated metabolites heptane-4-one, 3-one, 2-one, 4-ol, 3-ol, 2-ol, and 1-ol in blood. After adjustment of various extraction and desorption parameters, method validation resulted in limits of detection (LOD) between 0.006 (heptane-4-one) and 0.021 mg/L (heptane-1-ol). Intra-assay coefficients of variation ranged between 4.8% and 20.8% while relative recovery ranged between 100% and 117% (spiked concentration 0.128 mg/L, n  = 8). The method was appli…

AdultMaleAnalyteAnalytical chemistryToxicologySensitivity and SpecificityGas Chromatography-Mass SpectrometryHeptaneschemistry.chemical_compoundYoung AdultBiomonitoringHumansSample preparationDetection limitHeptaneInhalation ExposureChromatographyDose-Response Relationship DrugMolecular StructureChemistryExtraction (chemistry)Reproducibility of ResultsGeneral MedicineEnvironmental ExposureGas chromatographyGas chromatography–mass spectrometryBiomarkersEnvironmental MonitoringToxicology letters
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Urinary excretion of heptanones, heptanoles and 2,5-heptanedione after controlled acute exposure of volunteers to n-heptane.

2018

A lack of well-established parameters and assessment values currently impairs biomonitoring of n-heptane exposure. Using controlled inhalation experiments, we collected information on urinary n-heptane metabolite concentrations and the time course of metabolite excretion. Relationships between external and internal exposure were analysed to investigate the suitability of selected metabolites to reflect n-heptane uptake. Twenty healthy, non-smoking males (aged 19-38 years, median 25.5) were exposed for 3 h to 167, 333 and 500 ppm n-heptane, each. Spot urine samples of the volunteers, collected before exposure and during the following 24 h, were analysed for heptane-2-one, 3-one, 4-one, 2,5-d…

AdultMaleMetaboliteUrinary systemUrine010501 environmental sciencesUrinalysisToxicology01 natural sciencesGas Chromatography-Mass SpectrometryHeptanesExcretionchemistry.chemical_compoundYoung AdultBiomonitoringHumansBiotransformation0105 earth and related environmental sciencesCreatinineHeptaneChromatographyInhalationEnvironmental Biomarkers010401 analytical chemistrySolid Phase ExtractionReproducibility of ResultsGeneral MedicineKetones0104 chemical sciencesRenal EliminationchemistryHeptanolEnvironmental MonitoringToxicology letters
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Synthesis of oxaspiranic compounds through [3 + 2] annulation of cyclopropenones and donor–acceptor cyclopropanes.

2014

The Sc(OTf)3-catalyzed [3 + 2]-annulation reaction between cyclopropenones and donor–acceptor cyclopropanes is described. The process leads directly to the formation of 4-oxaspiro[2.4]hept-1-ene derivatives in good to excellent reaction yields. Density functional theory calculations suggest that the [3 + 2]-annulation pathway is strongly preferred over the possible [3 + 3]-process.

CyclopropanesMesylatesAnnulationMolecular StructureChemistryOrganic ChemistryStereoisomerismCatalysisComputational chemistryDensity functional theorySpiro CompoundsCycloheptanesDonor acceptorScandiumThe Journal of organic chemistry
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Steam catalytic cracking of naphtha over ZSM-5 zeolite for production of propene and ethene: Micro and macroscopic implications of the presence of st…

2012

One option to produce more ethene and propene can be to crack naphtha type fractions in dedicated smaller FCC units. We present here the results obtained for high temperature steam catalytic cracking (SCC) of a representative naphtha product (n-heptane) with ZSM-5. It has been found that under those conditions the presence of steam produces an irreversible dealumination of the zeolite as well as a reversible deactivation due to the interaction of water with active sites with a negative effect on protolytic cracking. A kinetic decay model that takes into account the two phenomena has been developed. The apparent activation energy is lower in the presence of steam. It appears that whilst the …

Fluid catalytic crackingcomplex mixturesCatalysisCatalysisPropenechemistry.chemical_compoundEthyleneSteam crackingQUIMICA ORGANICAFCC unitsFluid catalytic crackingOrganic chemistryN-HeptanesZeoliteNaphthaTECNOLOGIA DEL MEDIO AMBIENTEFluid catalytic cracking unitHeptaneApparent activation energyDecay modelPropene selectivityProcess Chemistry and TechnologyActive sitefood and beveragesCokeHigh temperatureNaphthashumanitiesCrackingSteamZSM-5 zeoliteschemistryChemical engineeringPropyleneDispersion (chemistry)Coke precursorsDealumination
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Inverse solvent effects in the heterogeneous and homogeneous epoxidation of cis-2-heptene with [2-percarboxyethyl]-functionalized silica and meta-chl…

2014

The rate constants for the epoxidation of cis-2-heptene with [2-percarboxyethyl]-functionalized silica (1a) and meta-chloroperbenzoic acid (mCPBA) (1b) in different solvents have been determined at temperatures in the −10 to 40 °C range. The heterogeneous epoxidation exhibits a dependence of the reaction rate on solvent polarity opposite to its homogeneous counterpart and anomalous activation parameters in n-hexane, which are interpreted in terms of the surface-promoted solvent structure at the solid–liquid interface. The results show that highly polar solvents can strongly inhibit heterogeneous reactions performed with silica-supported reagents or catalysts.

Organic ChemistryPhotochemistrySilicon DioxideBiochemistryHepteneCatalysisHeptanesSolventReaction rateChlorobenzoateschemistry.chemical_compoundKineticsReaction rate constantchemistryReagentSolventsPolarEpoxy CompoundsHexanesThermodynamicsPhysical and Theoretical ChemistrySolvent effectsOxidation-ReductionOrganicbiomolecular chemistry
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A Bioinspired Approach to Tri-nor-guaianes. Synthesis of (−)-Clavukerin A

2006

A bioinspired approach to tri-nor-guaianes by degradation of the C-7 side chain of related guaia-11-enes is described. In this approach (-)-clavukerin A (1) is obtained by selective ozonolysis-Criegge rearrangement of (+)-1alphaH,7alphaH,10alphaH-guaia-4,11-dien-3-one (4) to afford 7beta-hydroxy and 7beta-acetoxy tri-nor-guaiane derivatives 6 and 7, respectively, which after elimination and deoxygenation give the title compound. The starting guaiadienone is readily obtained from commercially available santonin or (+)-dihydrocarvone.

PharmacologyOzonolysisMolecular StructureOrganic ChemistryPharmaceutical ScienceStereoisomerismSesquiterpeneChemical synthesisAnalytical ChemistrySesquiterpenes Guaianechemistry.chemical_compoundComplementary and alternative medicinechemistryDrug DiscoverySide chainMolecular MedicineOrganic chemistryCycloheptanesPolycyclic Aromatic HydrocarbonsEnantiomerSelectivityDeoxygenationJournal of Natural Products
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Stereoselective synthesis of 7,11-guaien-8,12-olides from santonin. Synthesis of podoandin and (+)-zedolactone A.

2000

Photochemical rearrangement of hydroxy ester 2, easily obtained from santonin (1), afforded butenolide 4, a good starting material for the synthesis of 7,11-guaien-8,12-olides. Compound 4 has been transformed into compound 10, which has been used for the synthesis of podoandin (5) and (+)-zedolactone A (ent-6). Regioselective elimination of the acetyl group on C10 afforded directly podoandin (5). For the synthesis of ent-6, a hydroxyl group has been regio- and stereoselectively introduced at the 4alpha-position through the 3alpha,4alpha-epoxide 15. The basic hydrolysis of the 10-acetyl group in compound 18 took place with concomitant intramolecular conjugated addition of the alkoxide to the…

chemistry.chemical_classificationStereochemistryAntinematodal AgentsHydrolysisOrganic ChemistryRegioselectivityEtherStereoisomerismchemistry.chemical_compoundSesquiterpenes Guaianechemistry4-ButyrolactoneAlkoxideMoietyStereoselectivityEnantiomerCycloheptanesSantoninLactoneButenolideThe Journal of organic chemistry
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