Search results for "acids"

showing 10 items of 3520 documents

Ferrocene compounds: methyl 1′-aminoferrocene-1-carboxylate

2010

The title compund, [Fe(C(5)H(6)N)(C(7)H(7)O(2))], features one strong intermolecular hydrogen bond of the type N-H...O=C [N...O = 3.028 (2) A] between the amine group and the carbonyl group of a neighbouring molecule, and vice versa, to form a centrosymmetric dimer. Furthermore, the carbonyl group acts as a double H-atom acceptor in the formation of a second, weaker, hydrogen bond of the type C-H...O=C [C...O = 3.283 (2) A] with the methyl group of the ester group of a second neighbouring molecule at (x, -y - 1/2, z - 1/2). The methyl group also acts as a weak hydrogen-bond donor, symmetry-related to the latter described C-H...O=C interaction, to a third molecule at (x, -y - 1/2, z + 1/2) t…

Models MolecularHydrogen bondStereochemistryDimerCarboxylic AcidsMolecular ConformationHydrogen BondingGeneral MedicineAcceptorGeneral Biochemistry Genetics and Molecular BiologyCrystallographychemistry.chemical_compoundchemistryFerroceneCyclopentadienyl complexMoleculeFerrous CompoundsDimerizationMethyl groupCoordination geometryActa Crystallographica Section C Crystal Structure Communications
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Dihydrogen Activation by Antiaromatic Pentaarylboroles

2010

Facile metal-free splitting of molecular hydrogen (H(2)) is crucial for the utilization of H(2) without the need for toxic transition-metal-based catalysts. Frustrated Lewis pairs (FLPs) are a new class of hydrogen activators wherein interactions with both a Lewis acid and a Lewis base heterolytically disrupt the hydrogen-hydrogen bond. Here we describe the activation of hydrogen exclusively by a boron-based Lewis acid, perfluoropentaphenylborole. This antiaromatic compound reacts extremely rapidly with H(2) in both solution and the solid state to yield boracyclopent-3-ene products resulting from addition of hydrogen atoms to the carbons alpha to boron in the starting borole. The disruption…

Models MolecularHydrogenHydrogen bondchemistry.chemical_elementHydrogen BondingGeneral ChemistryPhotochemistryBiochemistryCatalysisFrustrated Lewis pairCatalysischemistry.chemical_compoundColloid and Surface ChemistrychemistryThermodynamicsOrganic chemistryLewis acids and basesBoroleBoronBoronHydrogenAntiaromaticityJournal of the American Chemical Society
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Temperature-controlled release by changes in the secondary structure of peptides anchored onto mesoporous silica supports

2014

Changes in the conformation of a peptide anchored onto the external surface of mesoporous silica nanoparticles have been used to design novel temperature-controlled delivery systems.

Models MolecularINGENIERIA DE LA CONSTRUCCIONSurface PropertiesSilicon dioxideNanoparticlePeptideProtein Structure SecondaryCatalysischemistry.chemical_compoundQUIMICA ORGANICAMaterials ChemistryCombinatorial libraryParticle Sizeskin and connective tissue diseasesPorosityProtein secondary structurechemistry.chemical_classificationResponsive Controlled-ReleaseQUIMICA INORGANICATemperatureMetals and AlloysGeneral ChemistryMesoporous silicaSilicon DioxideCombinatorial chemistryControlled releaseValvesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsChemistrychemistryChemical engineeringCeramics and CompositesNanoparticlessense organsParticle sizePeptidesAmino-acidsPorosity
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Electrochemical detection of the 2-isobutyl-3-methoxypyrazine model odorant based on odorant-binding proteins: The proof of concept

2014

Abstract We developed an electrochemical assay for the detection of odorant molecules based on a rat odorant-binding protein (rOBP3). We demonstrated that rOBP3 cavity binds 2-methyl-1,4-naphtoquinone (MNQ), an electrochemical probe, as depicted from the decrease of its electrochemical signal, and deduced the dissociation constant, Kd MNQ  = 0.5(± 0.2) μM. The amount of MNQ displaced from rOBP3 by 2-isobutyl-3-methoxypyrazine (IBMP), a model odorant molecule, was measured using square-wave voltammetry. The release of MNQ by competition led to an increase of the electrochemical response. In addition, this method allowed determination of the dissociation constant of rOBP3 for IBMP, Kd IBMP  =…

Models MolecularIsothermal microcalorimetryOdorant bindingBiophysicsAnalytical chemistryCalorimetryReceptors OdorantElectrochemistryBinding CompetitiveCaffeic AcidsElectrochemistryPhysical and Theoretical ChemistryVoltammetryBinding SitesChemistryVitamin K 3Electrochemical TechniquesGeneral MedicineCombinatorial chemistryFluorescenceRecombinant ProteinsDissociation constantImmobilized ProteinsSpectrometry FluorescencePyrazinesCalibrationTitrationBiosensorBioelectrochemistry
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Polymorphism control of an active pharmaceutical ingredient beneath calixarene-based Langmuir monolayers.

2014

This communication demonstrates the possibility to nucleate and grow different crystalline polymorphic forms of gabapentin (GBP) using, as nucleation templates, Langmuir monolayers of an amphiphilic calixarene at different packing densities.

Models MolecularLangmuirCyclohexanecarboxylic AcidsNucleation02 engineering and technology010402 general chemistry01 natural sciencesCatalysisAmphiphileCalixareneMonolayerMaterials ChemistryOrganic chemistryAminesta116gamma-Aminobutyric AcidActive ingredientMolecular StructureChemistryMetals and AlloysGeneral Chemistry021001 nanoscience & nanotechnology0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsChemical engineeringPolymorphism (materials science)Pharmaceutical PreparationsCeramics and CompositesCalixarenesGabapentin0210 nano-technologyChemical communications (Cambridge, England)
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Modulation of lipid-induced ER stress by fatty acid shape.

2011

IF : 5,709; International audience; Exposure of pancreatic β cells to long-chain saturated fatty acids (SFA) induces a so-called endoplasmic reticulum (ER) stress that can ultimately lead to cell death. This process is believed to participate in insulin deficiency associated with type 2 diabetes, via a decrease in β-cell mass. By contrast, some unsaturated fatty acid species appear less toxic to the cells and can even alleviate SFA-induced ER stress. In the present study, we took advantage of a simple yeast-based model, which brings together most of the trademarks of lipotoxicity in human cells, to screen fatty acids of various structures for their capacity to counter ER stress. Here we dem…

Models MolecularLipid Bilayers[SDV.BC.BC]Life Sciences [q-bio]/Cellular Biology/Subcellular Processes [q-bio.SC]Endoplasmic ReticulumBiochemistry03 medical and health sciences0302 clinical medicine[ SDV.BBM.BC ] Life Sciences [q-bio]/Biochemistry Molecular Biology/Biomolecules [q-bio.BM]Structural BiologyStress PhysiologicalGeneticsHumansadipocyte protein 2[SDV.BBM.BC]Life Sciences [q-bio]/Biochemistry Molecular Biology/Biochemistry [q-bio.BM]Molecular BiologyUnsaturated fatty acidCells CulturedPhospholipids030304 developmental biologychemistry.chemical_classification0303 health sciencesbiologyEndoplasmic reticulumFatty Acids[ SDV.BC.BC ] Life Sciences [q-bio]/Cellular Biology/Subcellular Processes [q-bio.SC]food and beveragesFatty acidCell BiologyLipidsCell biologychemistryLipotoxicityFree fatty acid receptorUnfolded protein responsebiology.proteinFatty Acids Unsaturated030217 neurology & neurosurgeryPolyunsaturated fatty acid
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Crystalline supramolecular organic frameworksviahydrogen-bonding between nucleobases

2021

We report a crystalline supramolecular framework assembled by H-bonding interactions between covalently fused monomers equipped with two guanine-cytosine nucleobase pairs.

Models MolecularMacromolecular SubstancesSupramolecular chemistrymacromolecular substances010402 general chemistry01 natural sciencesCatalysisNucleobasechemistry.chemical_compoundNucleic AcidsPolymer chemistryMaterials Chemistry010405 organic chemistryHydrogen bondtechnology industry and agricultureMetals and AlloysHydrogen BondingGeneral Chemistry0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsMonomerchemistryCovalent bondCeramics and CompositesNucleic Acid Conformationsense organsChemical Communications
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Geometric Isomerism in Pentacoordinate Cu2+ Complexes: Equilibrium, Kinetic, and Density Functional Theory Studies Reveal the Existence of Equilibriu…

2009

A ligand (L1) (bis(aminoethyl)[2-(4-quinolylmethyl)aminoethyl]amine) containing a 4-quinolylmethyl group attached to one of the terminal amino groups of tris(2-aminoethyl)amine (tren) has been prepared, and its protonation constants and stability constants for the formation of Cu(2+) complexes have been determined. Kinetic studies on the formation of Cu(2+) complexes in slightly acidic solutions and on the acid-promoted complex decomposition strongly suggest that the Cu(2+)-L1 complex exists in solution as a mixture of two species, one of them showing a trigonal bipyramidal (tbp) coordination environment with an absorption maximum at 890 nm in the electronic spectrum, and the other one bein…

Models MolecularMagnetic Resonance SpectroscopyCations DivalentMolecular ConformationProtonationLigandsInorganic ChemistryIsomerismComputational chemistryMoleculePhysical and Theoretical ChemistryMolecular StructureChemistryLigandHydrolysisNuclear magnetic resonance spectroscopyHydrogen-Ion ConcentrationSquare pyramidal molecular geometryKineticsTrigonal bipyramidal molecular geometryCrystallographySpectrophotometryDensity functional theoryProtonsAcidsCopperCis–trans isomerismInorganic Chemistry
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The Nature of the Stimulus and of the Fumarate Binding Site of the Fumarate Sensor DcuS of Escherichia coli

2005

DcuS is a membrane-associated sensory histidine kinase of Escherichia coli specific for C(4) -dicarboxylates. The nature of the stimulus and its structural prerequisites were determined by measuring the induction of DcuS-dependent dcuB'-'lacZ gene expression. C(4)-dicarboxylates without or with substitutions at C2/C3 by hydrophilic (hydroxy, amino, or thiolate) groups stimulated gene expression in a similar way. When one carboxylate was replaced by sulfonate, methoxy, or nitro groups, only the latter (3-nitropropionate) was active. Thus, the ligand of DcuS has to carry two carboxylate or carboxylate/nitro groups 3.1-3.8 A apart from each other. The effector concentrations for half-maximal i…

Models MolecularMagnetic Resonance SpectroscopyHistidine KinaseRecombinant Fusion ProteinsMolecular Sequence Datamedicine.disease_causeBiochemistryCitric AcidStructure-Activity Relationshipchemistry.chemical_compoundFumaratesEscherichia colimedicineDicarboxylic AcidsAmino Acid SequenceCarboxylatePhosphorylationBinding siteKinase activityTartratesMolecular BiologyEscherichia coliPeptide sequenceDicarboxylic Acid TransportersBinding SitesChemistryEscherichia coli ProteinsAutophosphorylationHistidine kinaseGene Expression Regulation BacterialCell BiologyNitro CompoundsPeptide FragmentsEnzyme ActivationLac OperonBiochemistryMutagenesis Site-DirectedPropionatesProtein KinasesSequence AlignmentBinding domainJournal of Biological Chemistry
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NMR study of hexanucleotide d(CCGCGG)2 containing two triplet repeats of fragile X syndrome

2003

Abstract Long repeated stretches of d(CCG) and tri-nucleotide are crucial mutations that cause hereditary forms of mental retardation (fragile X-syndrome). Moreover, the alternating (CG) di-nucleotide is one of the candidates for Z-DNA conformation. Solution NMR structure of d(CCGCGG) 2 has been solved and is discussed. The determined NMR solution structure is a distorted highly bent B-DNA conformation with increased flexibility in both terminal residues. This conformation differs significantly from the Z-DNA tetramer structure reported for the same hexamer in the crystal state at similar ionic strength by Malinina and co-workers. Crystal structure of d(CCGCGG) 2 at high salt concentration …

Models MolecularMagnetic Resonance SpectroscopyOligonucleotidesBiophysicsCrystal structureRandom hexamerRing (chemistry)Biochemistrychemistry.chemical_compoundTetramerNucleic AcidsHumansMoleculeComputer SimulationMolecular BiologyRecombination Geneticchemistry.chemical_classificationChemistryDNACell BiologyFuranoseCrystallographyIonic strengthFragile X SyndromeNucleic Acid ConformationTrinucleotide Repeat ExpansionCytosineBiochemical and Biophysical Research Communications
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