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showing 10 items of 1921 documents

E-2-Benzylidenebenzocycloalkanones. IV. Studies on transmission of substituent effects on 13C NMR chemical shifts of E-2-(X-benzylidene)-1-tetralones…

2005

Abstract Single substituent parameter (SSP) and dual substituent parameter (DSP) analyses were applied to study the transmission of substituent effects on selected 13C NMR chemical shifts of the cyclic chalcone analogues, E-2-(4′-X-benzylidene)-1-tetralones (2) and E-2-(4′-X-benzylidene)-1-benzosuberones (3). In order to study how the geometry of the cyclic chalcone analogues affects the transmission of substituent effects similar investigations with the respective chalcones (4) were also performed. The results obtained earlier with the five-membered analogue E-2-(4′-X-benzylidene)-1-indanones (1) were also involved in the comparisons. Geometry optimization of the unsubstituted 1a, 2a, 3a a…

ChalconeStereochemistryChemical shiftOrganic ChemistrySubstituentAb initioCarbon-13 NMRResonance (chemistry)Analytical ChemistryInorganic Chemistrychemistry.chemical_compoundchemistryComputational chemistryEnoneSpectroscopyTetralonesJournal of Molecular Structure
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The reaction of aromatic α,β-unsaturated ketones with 4,5-diamino-1,6- dihydropyrimidin-6-ones

1994

The reaction of 4,5-diamino-1,6-dihydropyrimidin-6-ones 1 with one equivalent of the chalcones 2 leads in an acidic medium to the formation of the 2,4-diaryl-2,3,6,7-tetrahydro-1H-pyrimido[4,5-b][1,4]diazepin-6-ones 3a-m. The structure elucidation of the products is based on detailed nmr investigations including selective 13C[1H] decoupling experiments.

Chalconechemistry.chemical_compoundchemistryBicyclic moleculeDiamineOrganic ChemistryLactamOrganic chemistryEnoneDecoupling (electronics)
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The effect of the fused-ring substituent on anthracene chalcones: crystal structural and DFT studies of 1-(anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-…

2018

Two new anthracene chalcones, namely 1-(anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one and 1-(anthracen-9-yl)-3-(pyren-1-yl)prop-2-en-1-one, have been successfully synthesized and the effect of the different fused ring substituent system attached to the anthracene chalcone derivative investigated. These compounds show a very narrow band gap due to the large p-conjugated systems, making them promising candidates as optoelectronic materials. Hirshfeld surface analysis has been carried out to show the contribution of inter­molecular contacts and weak inter­actions to supra­molecular stabilization.

Chalconecrystal structureSubstituentchalconeCrystal structure010402 general chemistry010403 inorganic & nuclear chemistryRing (chemistry)01 natural sciencesMedicinal chemistryDFTResearch Communicationschemistry.chemical_compoundMoietyGeneral Materials ScienceAnthraceneCrystallographyHirshfeld surfaceUV-VisGeneral ChemistryCondensed Matter Physics0104 chemical scienceschemistryQD901-999Density functional theoryEnoneActa crystallographica. Section E, Crystallographic communications
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Influence of lipid physical state on the in vitro digestibility of emulsified lipids.

2008

The objective of this study was to investigate the influence of the physical state of emulsified lipids on their in vitro digestibility by pancreatic lipase. A 10 wt % tripalmitin oil-in-water emulsion stabilized by sodium dodecyl sulfate (0.9 wt % SDS) was prepared at a temperature (>70 degrees C) above the melting point of the lipid phase (T(m) approximately 60 degrees C). A portion of this emulsion was cooled to a temperature (0 degrees C for 15 min) well below the crystallization temperature of the emulsified lipid (T(c) approximately 22 degrees C) and then warmed to 37 degrees C so as to have completely solid lipid particles. Another portion of the emulsion was directly cooled from 70 …

Chemical PhenomenaSwineFatty Acids NonesterifiedIn Vitro Techniqueschemistry.chemical_compoundAnimalsLipaseSodium dodecyl sulfateParticle SizeChromatographybiologyChemistry PhysicalLipid metabolismGeneral ChemistryLipaseLipid MetabolismLipidschemistryEmulsionTripalmitinbiology.proteinDigestionEmulsionsLipid particleParticle sizeGeneral Agricultural and Biological SciencesLipid digestionJournal of agricultural and food chemistry
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Understanding retention and metabolization of aroma compounds using an in vitro model of oral mucosa.

2020

International audience; The mechanism leading to aroma persistence during eating is not fully described. This study aims at better understanding the role of the oral mucosa in this phenomenon. Release of 14 volatile compounds from different chemical classes was studied after exposure to in vitro models of oral mucosa, at equilibrium by Gas-Chromatography-Flame Ionization Detection (GC-FID) and in dynamic conditions by Proton Transfer Reaction- Mass Spectrometry (PTR-MS). Measurements at equilibrium showed that mucosal hydration reduced the release of only two compounds, pentan-2-one and linalool (p < 0.05), and suggested that cells could metabolize aroma compounds from different chemical fa…

Chemical structureTR146/MUC1 cellsAcyclic MonoterpenesKinetics01 natural sciencesGas Chromatography-Mass SpectrometryAnalytical Chemistrychemistry.chemical_compoundEating0404 agricultural biotechnologyLinaloolPentanonesmedicineMoleculeHumans[SPI.GPROC]Engineering Sciences [physics]/Chemical and Process EngineeringOral mucosaaroma persistenceSalivaAromaaroma metabolismVolatile Organic Compoundsbiologyoral mucosaChemistry010401 analytical chemistryaroma retentionMouth MucosaEthyl hexanoatefood and beverages04 agricultural and veterinary sciencesGeneral Medicinebiology.organism_classification040401 food scienceIn vitro0104 chemical sciencesmedicine.anatomical_structureBiochemistrymucosal pelliclearoma releasein vitro modelOdorants[SDV.AEN]Life Sciences [q-bio]/Food and NutritionFood ScienceFood chemistry
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ChemInform Abstract: Enantioselective Henry Addition of Methyl 4-Nitrobutyrate to Aldehydes. Chiral Building Blocks for 2-Pyrrolidinones and Other De…

2010

The reaction is applied to a wide range or aromatic and aliphatic aldehydes and proceeds with moderate to good diastereoselectivities.

ChemistryEnantioselective synthesisOrganic chemistryGeneral MedicinePyrrolidinonesMethyl 4-nitrobutyratePyrrole derivativesChemInform
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Rapid hydrolysis of benzodiazepines to benzophenones in a microwave oven

1989

Abstract A microwave oven is used to carry out the complete hydrolysis of diazepam to the corresponding benzophenone in only 10 min, at 650 W, with good recovery. The reaction yield is evaluated by first-derivative UV spectrophotometry.

ChemistryMicrowave ovenBiochemistryAnalytical Chemistrychemistry.chemical_compoundHydrolysisReaction rate constantBenzophenoneEnvironmental ChemistryOrganic chemistrySpectroscopyMicrowaveNuclear chemistryUv spectrophotometryAnalytica Chimica Acta
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Synthesis of 5-substituted 2,3-dihydrobenzofurans in a one-pot oxidation/cyclization reaction

2011

Variously substituted 2,3-dihydrobenzofurans have been synthesized according to a sequential one-pot oxidation/cyclization procedure between para-aminophenol derivatives and an azadiene. Variously substituted 2,3-dihydrobenzofurans have been synthesized according to a sequential one-pot oxidation/cyclization procedure between para-aminophenol derivatives and an azadiene. © 2011 Elsevier Ltd. All rights reserved.

ChemistryOne pot reactionOrganic ChemistryDrug DiscoveryOrganic chemistryOne-pot reaction 23-Dihydrobenzofuran Quinone imide Oxidation CycloadditionSettore CHIM/08 - Chimica FarmaceuticaBiochemistryCycloadditionTetrahedron
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Installation of Amine Moieties into a Polycyclic Anodic Product Derived from 2,4-Dimethylphenol

2011

When 2,4-dimethylphenol is anodically treated, a dehydrotetramer with four contiguous stereocentres is readily obtained on a multi-gram scale. The substitution of a 2,4-dimethyl-phenoxy fragment by several amines was demonstrated, and the best results were obtained with primary amines. Optically pure α-chiral aliphatic amines yield diastereomeric mixtures that can be separated in most cases. The basic amine causes a partial hemiketal-opening of the bisbenzofuran moiety leading to an equilibrium within an α,β-unsaturated cyclohexenone. This dynamic behaviour occurs on the time scale of NMR spectroscopy and is also found by X-ray analysis providing a consistent picture.

ChemistryOrganic ChemistryDiastereomerGeneral ChemistryNuclear magnetic resonance spectroscopyCatalysisChiral resolutionchemistry.chemical_compoundCyclohexenoneYield (chemistry)MoietyOrganic chemistryAmine gas treatingAminationChemistry - A European Journal
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N-benzoylindole-2,3-quinodimethane: Diels-Alder reactivity and synthetic applications for [b]annellated indoles

1991

Abstract The Diels-Alder reactivity of in situ generated N -benzoylindole-2,3-quinodimethane has been expanded considerably to include reactions with carbon- and hetero-dienophiles which furnish a variety of [ b ]annellated indoles as well as functionalized and annellated carbazoles. The frontier molecular orbital theory was found to be a useful model for the prediction of the experimental results under consideration of reactivity aspects.

ChemistryOrganic ChemistryDrug DiscoveryDiels alderOrganic chemistryFrontier molecular orbital theoryReactivity (chemistry)BiochemistryCycloadditionQuinoneTetrahedron
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