Search results for " molecule"

showing 10 items of 1523 documents

Toward Understanding the Photochemistry of Photoactive Yellow Protein: A CASPT2/CASSCF and Quantum Theory of Atoms in Molecules Combined Study of a M…

2009

Photochemical processes that take place in biological molecules have become an increasingly important research topic for both experimentalists and theoreticians. In this work, we report the reaction mechanism of a model of the photoactive yellow protein (PYP) chromophore in vacuo. The results obtained here, using a strategy based on the simultaneous use of the minimum energy path concept and the quantum theory of atoms in molecules applied to this excited state process, suggest a possible way in which the protein could increase the efficiency of the reaction. The role played by other electronic states of the same and different spin multiplicities in the reaction process is also analyzed, wi…

chemistry.chemical_classificationWork (thermodynamics)Reaction mechanismChemistryBiomoleculeAtoms in moleculesChromophorePhotochemistryComputer Science ApplicationsExcited stateQuantum mechanicsPhysical and Theoretical ChemistryTriplet stateSpin (physics)Journal of chemical theory and computation
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Enantiomeric separation of amino acids by capillary electrophoresis with α-cyclodextrin

1998

A simple method for separation of underivatized aromatic amino acid enantiomers is presented. The influence of α-cyclodextrin concentration, applied voltage and background buffer pH on the separation were investigated to achieve the best conditions of separation.

chemistry.chemical_classificationamino acidsChromatographyBicyclic moleculeCyclodextrinOrganic ChemistryTryptophanPhenylalanineGeneral MedicineBiochemistryAnalytical ChemistryAmino acidchemistry.chemical_compoundCapillary electrophoresischemistryAromatic amino acidsenantiomer separationEnantiomerJournal of Chromatography A
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Foetidissimosides C–F, Novel Glycosides from the Roots ofCucurbita foetidissima

2004

Two novel echinocystic acid (=(3β,16α)-3,16-dihydroxyolean-12-en-28-oic acid) glycosides, foetidissimosides C (1), and D (2), along with new cucurbitane glycosides, i.e., foetidissimosides E/F (3/4) as an 1 : 1 mixture of the (24R)/(24S) epimers, were obtained from the roots of Cucurbita foetidissima. Their structures were elucidated by means of a combination of homo- and heteronuclear 2D-NMR techniques (COSY, TOCSY, NOESY, ROESY, HSQC, and HMBC), and by FAB-MS. The new compounds were characterized as (3β,16α)-28-{[O-β-D-glucopyranosyl-(13)-O-β-D-xylopyranosyl-(14)-O-6-deoxy-α-L-mannopyranosyl-(12)-α-L-arabinopyranosyl]oxy}-16-hydroxy-28-oxoolean -12-en-3-yl β-D-glucopyranosiduronic acid (1…

chemistry.chemical_classificationbiologyChemistryStereochemistryOrganic ChemistryGlycosideCucurbitanebiology.organism_classificationBiochemistryCatalysisInorganic Chemistrychemistry.chemical_compoundHeteronuclear moleculeDrug DiscoveryEpimerCucurbita foetidissimaPhysical and Theoretical ChemistryEchinocystic acidTwo-dimensional nuclear magnetic resonance spectroscopyHeteronuclear single quantum coherence spectroscopyHelvetica Chimica Acta
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Hydrogen peroxide sensing with horseradish peroxidase-modified polymer single conical nanochannels.

2011

Inspired from the funtioning and responsiveness of biological ion channels, researchers attempt to develop biosensing systems based on polymer and solid-state nanochannels. The applicability of these nanochannels for detection/sensing of any foreign analyte in the surrounding environment depends critically on the surface characteristics of the inner walls. Attaching recognition sites to the channel walls leads to the preparation of sensors targeted at a specific molecule. There are many nanochannel platforms for the detection of DNA and proteins, but only a few are capable of detecting small molecules. Here, we describe a nanochannel platform for the detection of hydrogen peroxide, H(2)O(2)…

chemistry.chemical_classificationbiologyImmobilized enzymeStereochemistryChemistryPolymersNanotechnologyPolymerHydrogen PeroxideSmall moleculeHorseradish peroxidaseAnalytical ChemistryNanostructureschemistry.chemical_compoundMembranebiology.proteinHydrogen peroxideBiosensorIon channelHorseradish PeroxidaseSignal TransductionAnalytical chemistry
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Foetidissimosides C—F, Novel Glycosides from the Roots of Cucurbita foetidissima.

2004

Two novel echinocystic acid (=(3β,16α)-3,16-dihydroxyolean-12-en-28-oic acid) glycosides, foetidissimosides C (1), and D (2), along with new cucurbitane glycosides, i.e., foetidissimosides E/F (3/4) as an 1 : 1 mixture of the (24R)/(24S) epimers, were obtained from the roots of Cucurbita foetidissima. Their structures were elucidated by means of a combination of homo- and heteronuclear 2D-NMR techniques (COSY, TOCSY, NOESY, ROESY, HSQC, and HMBC), and by FAB-MS. The new compounds were characterized as (3β,16α)-28-{[O-β-D-glucopyranosyl-(13)-O-β-D-xylopyranosyl-(14)-O-6-deoxy-α-L-mannopyranosyl-(12)-α-L-arabinopyranosyl]oxy}-16-hydroxy-28-oxoolean -12-en-3-yl β-D-glucopyranosiduronic acid (1…

chemistry.chemical_classificationbiologyStereochemistryGlycosideGeneral Medicinebiology.organism_classificationCucurbitanechemistry.chemical_compoundchemistryHeteronuclear moleculeCucurbita foetidissimaEpimerEchinocystic acidTwo-dimensional nuclear magnetic resonance spectroscopyHeteronuclear single quantum coherence spectroscopyChemInform
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ChemInform Abstract: Glycopeptide Synthesis Using O-Pentafluorophenyluronium Salts as Novel Condensing Reagents.

2010

Pentafluorophenyluronium salts and related coupling reagents for the solid-phase synthesis of peptides and glycopeptides have been developed and employed in the synthesis of a glycopeptide sequence from the cell adhesion molecule E-CAD 1.

chemistry.chemical_classificationchemistryCell adhesion moleculeReagentSequence (biology)General MedicineCombinatorial chemistryGlycopeptideAmino acidChemInform
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Cycloaddition reactions of benzothiete with azomethines

1986

Obtention de diaryl-2,3 dihydro-3,4 benzothiazines-1,3 (70%) via la cycloaddition de la thiobenzoquinone methode-1,2 (obtenue par scission thermique du benzothiete) et d'arylimines de benzaldehydes. Obtention egalement de 10% du dimere (dibenzo [b, f] dithiocinne-1,5)

chemistry.chemical_classificationchemistry.chemical_compoundAldimineSchiff basechemistryBicyclic moleculeOrganic ChemistryOrganic chemistryMedicinal chemistryBond cleavageCycloadditionJournal of Heterocyclic Chemistry
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ChemInform Abstract: LEAD TETRAACETATE OXIDATION OF PHENYLHYDRAZONES OF 3-BENZOYLAZOLES. SYNTHESIS OF AZOACETATES AND THEIR CONVERSION INTO INDAZOLES

1985

Lead tetraacetate (LTA) oxidation of (E)- and (Z)-phenylhydrazones of 3-benzoyl-5-phenyl-1,2,4-oxadiazole, 3-benzoyl-5-phenylisoxazole, and 3-benzoyl-4-methyl-1,2,5-oxadiazole has been studied. Conversion of azoacetate products into 3-(azol-3-yl)-substituted indazoles has been achieved by reacting them with aluminium chloride in benzene at room temperature.

chemistry.chemical_classificationchemistry.chemical_compoundAzo compoundAluminium chloridechemistryBicyclic moleculemedicineOrganic chemistryHydrazoneGeneral MedicineBenzeneMedicinal chemistrymedicine.drugChemischer Informationsdienst
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Studies towards the development of lipophilic bifunctional N3S3 chelators for 68Ga

2010

Abstract The present study is concerned with a concept of charge-neutral, lipophilic, macrocyclic bifunctional chelators, suitable for the introduction of a gallium-68 label into small molecules. The synthesis of a novel bifunctional N3S3-type chelator, derived from 1,4,7-triazacyclononane, initial 68Ga-radiolabelling and the determination of stability and calculated lipophilicity of the compound are described. The 68Ga-labelled chelate was obtained in a maximum radiochemical yield of 93±5% after a reaction time of 2 min. It remained intact over 3 h in a DTPA-challenge and a transferrin challenge experiment, indicating sufficient stability for PET studies.

chemistry.chemical_classificationchemistry.chemical_compoundChemistryTransferrinYield (chemistry)LipophilicityOrganic chemistryChelationPhysical and Theoretical ChemistryBifunctionalCombinatorial chemistrySmall moleculeRadiochimica Acta
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Synthesis and properties of polymers with unusual structure

1985

This lecture summarize some recent results of our current research. The first part describes the homopolymerization and copolymerization of a monocyclic and two bicyclic unsaturated acetals. In this way polyacetals with 1,4-cis-butadiene units and cyclohexene units respectively are obtained. Secondly, the N-substitution of polyamides is described. By N-metalation and subsequent alkylation comb-like polyamides are available. Longer branches cause a side-chain crystallinity. The anionic “grafting-from” technique forms irregular branched polyamides. By termination reaction between living ends of poly(2-isopropenylnaphthalene) and suitable electrophiles new macromonomers are available. The last…

chemistry.chemical_classificationchemistry.chemical_compoundCrystallinitychemistryBicyclic moleculeElectrophilePolymer chemistryPolyamideCyclohexeneCopolymerOrganic chemistryPolymerAlkylationDie Makromolekulare Chemie
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