Search results for "Spectroscopy"

showing 10 items of 10293 documents

Structural and functional models for the dinuclear copper active site in catechol oxidases

2003

Two new mu-methoxo-bridged dinuclear copper(II) complexes with a N-substituted sulfonamide, [Cu(mu-OMe)(L)(NH(3))](2) (1) and [Cu(mu-OMe)(L)(DMSO)](2) (2) [HL, N-2-(4-methylbenzothiazole)benzenesulfonamide], have been prepared and characterized by single-crystal X-ray difraction analyses. Compound 1 crystallizes in the monoclinic space group C(2)/c with a=22.0678(18), b=7.9134(7), c=21.1186(18)A, beta=113.788(4) degrees and Z=8. Compound 2 crystallizes in the monoclinic space group C(2)/c with a=18.0900(10), b=9.5720(10), c=24.2620(10) A, beta=98.7120(10) degrees and Z=8. In both complexes the copper atoms have square-planar environments bridged by two oxygen atoms from methoxide groups. Ma…

chemistry.chemical_classificationbiologyStereochemistryActive sitechemistry.chemical_elementNuclear magnetic resonance spectroscopyCrystal structureMethoxideBiochemistryCopperlaw.inventionSulfonamideInorganic ChemistryCrystallographychemistry.chemical_compoundchemistrylawbiology.proteinElectron paramagnetic resonanceMonoclinic crystal systemJournal of Inorganic Biochemistry
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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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New Acylated Saponins fromPolygala myrtifolia

2003

The ten new acylated presenegenin (=(2β,3β,4α)-2,3,27-trihydroxyolean-12-ene-23,28-dioic acid) glycosides 1–10 have been isolated by successive MPLC from the roots of Polygala myrtifolia L. as five inseparable mixtures of the trans- and cis-4-methoxycinnamoyl derivatives, i.e., myrtifoliosides A1/A2 (1/2), B1/B2 (3/4), C1/C2 (5/6), D1/D2 (7/8), and E1/E2 (9/10). Their structures were elucidated mainly by extensive spectroscopic experiments, including 2D NMR techniques, as 3-O-(β-D-glucopyranosyl)presenegenin 28-{O-β-D-galactopyranosyl-(13)-O-β-D-xylopyranosyl-(14)-O-[D-apio-β-D-furanosyl-(13)]-O-α-L-rhamnopyranosyl-(12)-O-[α-L-arabinopyranosyl-(13)]-4-O-(trans-4-methoxycinnamoyl)-β-D-fucopy…

chemistry.chemical_classificationbiologyStereochemistryOrganic ChemistryGlycosidebiology.organism_classificationBiochemistryPresenegeninPolygala myrtifoliaCatalysisInorganic ChemistrychemistryDrug DiscoveryPhysical and Theoretical ChemistryTwo-dimensional nuclear magnetic resonance spectroscopyHelvetica Chimica Acta
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New Acylated Triterpene Saponins fromPolygala arenaria

2003

Eight new acylated triterpene saponins 1–8 were isolated from the roots of Polygala arenaria as four inseparable (E)/(Z) mixtures of the 4-methoxycinnamoyl and 3,4-dimethoxycinnamoyl derivatives by repeated MPLC over silica gel. Their structures were established mainly by 600-MHz 2D-NMR techniques (1H,1H-COSY, TOCSY, NOESY, HSQC, HMBC) as 3-O-(β-D-glucopyranosyl)presenegenin 28-(O-β-D-galactopyranosyl-(14)-O-[β-D-glucopyranosyl-(13)]-O-β-D-xylopyranosyl-(14)-O-α-L-rhamnopyranosyl-(12)-{4-O-[(E)-4-methoxycinnamoyl]}-β-D-fucopyranosyl) ester and its (Z)-isomer (1/2), 3-O-(β-D-glucopyranosyl)presenegenin 28-(O-β-D-galactopyranosyl-(14)-O-[β-D-glucopyranosyl-(13)]-O-β-D-xylopyranosyl-(14)-O-α-L…

chemistry.chemical_classificationbiologyStereochemistryOrganic ChemistryTenuifolinbiology.organism_classificationBiochemistryPresenegeninCatalysisPolygalaInorganic ChemistryTriterpenechemistryDrug DiscoveryMoietyPhysical and Theoretical ChemistryTwo-dimensional nuclear magnetic resonance spectroscopyLymphocyte Proliferation AssayHelvetica Chimica Acta
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FT-IR spectroscopic investigation of bacterial cell envelopes from Zymomonas mobilis which have different surface hydrophobicities

2013

Abstract Changes in the cell envelope composition of bacteria Zymomonas mobilis 113S which resulted in varied cell surface hydrophobicity (CSH) were examined using FT-IR-spectroscopy and conventional methods of biochemical analysis. Significant differences in all analyses were detected between hydrophilic and hydrophobic compounds in the envelopes of Z. mobilis . A significant positive linear relationship ( P Z. mobilis and the ratio of absorbance band intensities assigned to the CH 2 and CH 3 vibrations from lipids as well as the asymmetric and symmetric stretching vibrations of these methylene and methyl groups. Differences were also seen between the ratio of band absorbances arising from…

chemistry.chemical_classificationbiologyStereochemistrybiology.organism_classificationZymomonas mobilisAbsorbancechemistry.chemical_compoundCrystallographychemistryAmideCell envelopeMethyleneFourier transform infrared spectroscopySpectroscopySpectroscopyAlkylVibrational Spectroscopy
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FTIR TENTATIVE CHARACTERIZATION OF HUMIC ACIDS EXTRACTED FROM ORGANIC MATERIALS

2001

Turkish humic acids, extracted from different materials, were characterized by their infrared spectra and by means of acidity measurements. The information obtained is of great interest to ascertain the nature and origin of humic acid samples.

chemistry.chemical_classificationchemistryInorganic chemistryHumic acidInfrared spectroscopyFourier transform infrared spectroscopycomplex mixturesSpectroscopyAtomic and Molecular Physics and OpticsAnalytical ChemistryCharacterization (materials science)Spectroscopy Letters
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Dihydrooxazine Oxides as Key Intermediates in Organocatalytic Michael Additions of Aldehydes to Nitroalkenes

2012

Pause and play: dihydrooxazine oxides are stable intermediates that are protonated directly, without the intermediacy of the zwitterions, in organocatalytic Michael additions of aldehydes and nitroalkenes (see scheme, R=alkyl). Protonation of these species explains both the role of the acid co-catalyst in these reactions, and the observed stereochemistry when the reaction is conducted with α-alkylnitroalkenes.

chemistry.chemical_classificationchemistryOrganic chemistryProtonationGeneral ChemistryNuclear magnetic resonance spectroscopyGeneral Medicineta116CatalysisAlkylAngewandte Chemie
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Characterization of industrial alkylpolyphosphonates by infusion electrospray ionization-ion trap mass spectrometry with identification of the impuri…

2005

Technical grade diethylene-triaminepentakis(methylenephosphonic acid) (I), dihexamethylene-triaminepentakis(methylenephosphonic acid) (II), ethylene-diaminetetrakis(methylenephosphonic acid) (III), hexamethylene-diaminetetrakis(methylenephosphonic acid) (IV), amino-tris(methylenephosphonic acid) (V), hydroxyethyl-aminobis(methylenephosphonic acid) (VI), 1-hydroxyethylidene-1,1-diphosphonic acid (VII), and 2-phosphonobutane-1,2,4-tricarboxylic acid (VIII) were characterized by ion trap mass spectrometry with electrospray ionization (ESI-ITMS). Using the negative ion mode and acid and alkaline media, peak series corresponding to the nominal compounds and to impurities with a lower number of p…

chemistry.chemical_classificationchemistry.chemical_compoundCapillary electrophoresischemistryElectrospray ionizationCarboxylic acidAnalytical chemistryIon trapCarboxylateMass spectrometryPhosphonateSpectroscopyIonJournal of Mass Spectrometry
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- conformational preference of , -9-oxobicyclo[3.3.1]nonane-2,4-dicarboxylic acid

1985

Abstract The 1 H and 13 C nmr spectra of exo , exo -9-oxobicyclo[3.3.1]nonane-2,4-dicarboxylic acid, 3, in DMSO-d 6 or alkaline D 2 O, clearly show that it exists in a boat - chair -conformation with equatorial carboxyl groups, thus being the first case of boat - chair preference of a bicyclo[3.3.1] nonan-9-one due to the presence of exo , exo -2,4- substituents.

chemistry.chemical_classificationchemistry.chemical_compoundDicarboxylic acidchemistryBicyclic moleculeStereochemistryOrganic ChemistryDrug DiscoveryNuclear magnetic resonance spectroscopyCarbon-13 NMRNonaneBiochemistryTetrahedron Letters
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Synthesis of peptides with α,β‐dehydroamino acids, III. Debenzyloxycarbonylation and detrifluoroacetylation of dehydroalanine and dehydrophenylalanin…

1985

The removal of amino protecting groups from a series of twelve model Z-3) or TFA-dipeptides of dehydroalanine and (Z)-dehydrophenylalanine was investigated. During this deprotection, peptides with Δ Ala are prone to side reactions to a higher extent than those with Δ Phe. Therefore it is interesting to note that from the Δ Ala peptides, the Z group can be split off in preparative manner with HCO2NH4 in the presence of Pd C (Table 4). Synthese von Peptiden mit α,β-Dehydroaminosauren, III.– Debenzyloxycarbonylierung und Detrifluoracetylierung von Dehydroalanin- und Dehydrophenylalanin-Peptiden An einer Serie von zwolf Z-3) oder TFA-Modellpeptiden mit Dehydroalanin und (Z)-Dehydrophenylalanin …

chemistry.chemical_classificationchemistry.chemical_compoundDipeptidechemistryStereochemistryDehydroalanineOrganic ChemistryPeptideNuclear magnetic resonance spectroscopyPhysical and Theoretical ChemistryLiebigs Annalen der Chemie
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