Search results for "METHANE"

showing 10 items of 1763 documents

Potential models for the simulation of methane adsorption on graphene: development and CCSD(T) benchmarks

2018

Different force fields for the graphene–CH4 system are proposed including pseudo-atom and full atomistic models. Furthermore, different charge schemes are tested to evaluate the electrostatic interaction for the CH4 dimer. The interaction parameters are optimized by fitting to interaction energies at the DFT level, which were themselves benchmarked against CCSD(T) calculations. The potentials obtained with both the pseudo-atom and full atomistic approaches describe accurately enough the average interaction in the methane dimer as well as in the graphene–methane system. Moreover, the atom–atom potentials also correctly provide the energies associated with different orientations of the molecu…

CCSD calculationsPotential modelsUNESCO::QUÍMICADimerGeneral Physics and AstronomyThermodynamics02 engineering and technology010402 general chemistry:QUÍMICA [UNESCO]7. Clean energy01 natural sciencesStability (probability)MethaneCCSD calculations Potential models methane adsorptionlaw.inventionchemistry.chemical_compoundlawPhysics::Atomic and Molecular ClustersMoleculePhysics::Chemical PhysicsPhysical and Theoretical ChemistryBond energymethane adsorptionCondensed Matter::Quantum GasesPhysicsGrapheneCharge (physics)Interaction energy021001 nanoscience & nanotechnology0104 chemical scienceschemistry0210 nano-technologyPhysical Chemistry Chemical Physics
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CARS spectroscopy of CH4 for implication of temperature measurements in supercritical LOX/CH4 combustion

2007

International audience; Experimental and theoretical investigations of coherent anti-Stokes Raman spectroscopy of CH4 have been carried out. Experimental spectra were measured in a heated high-pressure test cell and compared with numerical simulations. Good agreement was obtained for the temperature and the pressure dependence of CARS spectra in the ranges 300-1100 K and 0.1-5.0 MPa. The observed dependencies provide useful guidance for CARS thermometry, allowing quantitative measurements of temperature in high-pressure combustors. Application of multiplex CH4 CARS thermometry for single-shot measurements in a LOX/CH4 combustion at high pressure was demonstrated at supercritical conditions …

CH4 spectroscopyMaterials scienceAnalytical chemistryAerospace EngineeringCombustion01 natural sciences7. Clean energyTemperature measurementSpectral lineMethane010305 fluids & plasmas010309 opticssymbols.namesakechemistry.chemical_compoundNuclear magnetic resonancesupercritical pressure0103 physical sciencesLOX/CH4 combustionSpectroscopy[PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics][ PHYS.PHYS.PHYS-OPTICS ] Physics [physics]/Physics [physics]/Optics [physics.optics]temperatureSupercritical fluidchemistrysymbolscoherent anti-Stokes Raman scatteringLiquid oxygenRaman spectroscopyAerospace Science and Technology
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Phosphorylation of the DNA repair protein APE/REF-1 by CKII affects redox regulation of AP-1

1999

The DNA repair protein apurinic endonuclease (APE/Ref-1) exerts several physiological functions such as cleavage of apurinic/apyrimidinic sites and redox regulation of the transcription factor AP-1, whose activation is part of the cellular response to DNA damaging treatments. Here we demonstrate that APE/Ref-1 is phosphorylated by casein kinase II (CKII). This was shown for both the recombinant APE/Ref-1 protein (Km=0.55 mM) and for APE/Ref-1 expressed in COS cells. Phosphorylation of APE/Ref-1 did not alter the repair activity of the enzyme, whereas it stimulated its redox capability towards AP-1, thus promoting DNA binding activity of AP-1. Inhibition of CKII mediated phosphorylation of A…

Cancer ResearchDNA RepairProto-Oncogene Proteins c-junDNA repairDNA damageCarbon-Oxygen LyasesCHO CellsProtein Serine-Threonine KinasesBiologyTransfectionSubstrate SpecificityCricetinaeDNA Repair ProteinDNA-(Apurinic or Apyrimidinic Site) LyaseGeneticsAnimalsHumansAP sitePhosphorylationCasein Kinase IIProtein kinase AMolecular BiologyMethyl MethanesulfonateCyclic AMP-Dependent Protein KinasesMolecular biologyDNA-(apurinic or apyrimidinic site) lyaseTranscription Factor AP-1COS CellsPhosphorylationCasein kinase 2Oxidation-ReductionDNA DamageHeLa CellsMutagensOncogene
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Mast Cells Infiltrating Inflamed or Transformed Gut Alternatively Sustain Mucosal Healing or Tumor Growth.

2015

Abstract Mast cells (MC) are immune cells located next to the intestinal epithelium with regulatory function in maintaining the homeostasis of the mucosal barrier. We have investigated MC activities in colon inflammation and cancer in mice either wild-type (WT) or MC-deficient (KitW-sh) reconstituted or not with bone marrow-derived MCs. Colitis was chemically induced with dextran sodium sulfate (DSS). Tumors were induced by administering azoxymethane (AOM) intraperitoneally before DSS. Following DSS withdrawal, KitW-sh mice showed reduced weight gain and impaired tissue repair compared with their WT littermates or KitW-sh mice reconstituted with bone marrow-derived MCs. MCs were localized i…

Cancer ResearchPathologyColorectal cancerCell CountAnimals; Animals Congenic; Azoxymethane; Carcinoma; Cell Count; Cell Transformation Neoplastic; Cells Cultured; Colitis; Colonic Neoplasms; Dextran Sulfate; Epithelial Cells; Humans; Inflammatory Bowel Diseases; Interleukin-33; Intestinal Mucosa; Mast Cells; Mice; Mice Inbred C57BL; Mice Knockout; Models Biological; Proto-Oncogene Proteins c-kit; Receptors Interleukin; Regeneration; Serine Endopeptidases; Species Specificity; Specific Pathogen-Free Organisms; Cancer Research; Oncology; Medicine (all)chemistry.chemical_compoundMiceAnimals CongenicMast CellMast CellsIntestinal MucosaCells CulturedMice KnockoutColonic NeoplasmMedicine (all)Dextran SulfateSerine EndopeptidasesColitisIntestinal epitheliumSpecific Pathogen-Free OrganismsSerine EndopeptidaseProto-Oncogene Proteins c-kitCell Transformation NeoplasticOncologyColonic Neoplasmsmedicine.symptomHumanmedicine.medical_specialtyAzoxymethaneInflammationModels BiologicalImmune systemSpecies SpecificitymedicineSpecific Pathogen-Free OrganismAnimalsHumansRegenerationColitisEpithelial CellAnimalAzoxymethanebusiness.industryInflammatory Bowel DiseaseCarcinomaEpithelial CellsReceptors Interleukinmedicine.diseaseInflammatory Bowel DiseasesInterleukin-33Interleukin-1 Receptor-Like 1 ProteinMice Inbred C57BLchemistrybusinessWound healingColitiHomeostasisCancer research
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Increased endocannabinoid levels reduce the development of precancerous lesions in the mouse colon

2007

Colorectal cancer is an increasingly important cause of death in Western countries. Endocannabinoids inhibit colorectal carcinoma cell proliferation in vitro. In this paper, we investigated the involvement of endocannabinoids on the formation of aberrant crypt foci (ACF, earliest preneoplastic lesions) in the colon mouse in vivo. ACF were induced by azoxymethane (AOM); fatty acid amide hydrolase (FAAH) and cannabinoid receptor messenger ribonucleic acid (mRNA) levels were analyzed by the quantitative reverse transcription polymerase chain reaction (RT-PCR); endocannabinoid levels were measured by liquid chromatography-mass spectrometry; caspase-3 and caspase-9 expressions were measured by W…

Cannabinoid receptormedicine.medical_treatment2-Arachidonoylglycerolpreneoplastic lesionsMass Spectrometrychemistry.chemical_compoundMice0302 clinical medicineFatty acid amide hydrolaseDrug DiscoveryFatty acid amide hydrolase (FAAH)Aberrant crypt fociGenetics(clinical)ReceptorReceptors CannabinoidGenetics (clinical)Medicine(all)0303 health sciencesCaspase 3Reverse Transcriptase Polymerase Chain ReactionEndocannabinoid systemCaspase 93. Good health2-arachidonoylglycerolColon cancer030220 oncology & carcinogenesisColonic NeoplasmsMolecular Medicinelipids (amino acids peptides and proteins)psychological phenomena and processesRapid CommunicationAberrant crypt focimedicine.medical_specialtyColonAzoxymethaneBiologydigestive systemAmidohydrolases03 medical and health sciencesInternal medicineCannabinoid Receptor ModulatorsmedicineAnimalsRNA MessengerCannabinoid receptors030304 developmental biologyAzoxymethaneendocannabinoiddigestive system diseasesEndocrinologychemistrynervous systemCancer researchCannabinoidcancer pharmacologyPrecancerous ConditionsEndocannabinoids
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Use of HepG2 cell line for direct or indirect mutagens screening: comparative investigation between comet and micronucleus assays.

2003

International audience; In the present study, DNA-damage and clastogenic or aneugenic effects of genotoxic compounds were examined in a metabolically competent human cell line (HepG2 cells) using the micronucleus and the comet assays. Compounds with various action mechanisms were tested: direct mutagens such as 4-nitroquinoline-N-oxide (4-NQO) and methyl methanesulfonate (MMS) and indirect mutagens requiring biotransformation to be active such as N-nitrosodimethylamine (NDMA), benzo[a]pyrene (B[a]P) and 2-acetylaminofluorene (2-AAF). The compounds were first tested for cytotoxicity by measuring their effects on RNA synthesis inhibition in HepG2 cells. 4-NQO, B[a]P and 2-AAF were the most po…

Carcinoma HepatocellularNitrosaminesHealth Toxicology and Mutagenesis[SDV]Life Sciences [q-bio]Mutagen[SDV.TOX.TCA]Life Sciences [q-bio]/Toxicology/Toxicology and food chain010501 environmental sciencesQuinolonesmedicine.disease_cause01 natural sciencesSensitivity and SpecificityDimethylnitrosamine03 medical and health sciencesClastogenchemistry.chemical_compoundInhibitory Concentration 50GeneticsmedicineBenzo(a)pyreneTumor Cells CulturedHumansCytotoxicityComputingMilieux_MISCELLANEOUS030304 developmental biology0105 earth and related environmental sciencesGenetics0303 health sciencesMicronucleus TestsChemistryLiver Neoplasms2-AcetylaminofluoreneMethyl MethanesulfonateMolecular biology4-Nitroquinoline-1-oxideMethyl methanesulfonateComet assay[SDV] Life Sciences [q-bio]Micronucleus testComet AssayMicronucleusGenotoxicityMutagensMutation research
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"Partial oxidation of methane and methanol on FeOx-, MoOx- and FeMoOx -SiO2 catalysts prepared by sol-gel method: a comparative study"

2020

[EN] FeOx-, MoOx and FeMoOx-SiO2 materials prepared by a sol-gel procedure have been evaluated as catalysts for the partial oxidation of methane and methanol. The effect of decreasing the pH of the synthesis gel on the chemical nature of FeOx and MoOx species has been investigated. Characterization results show that low pH improves the dispersion of metal oxide species present in SiO2 matrix. For FeOx/SiO2 materials, the presence of dispersed FeOx species (rather than bulk Fe2O3) improves the selectivity to formaldehyde in the partial oxidation of methane and methanol. For FeMoOx/SiOx catalysts, dispersed species favor the selectivity to formaldehyde only for methane oxidation. In contrast,…

CatalizadorFormaldehydeOxideEstudio comparativo010402 general chemistry01 natural sciencesAldehydeCatalysisMethaneCatalysischemistry.chemical_compoundFormaldehydeIron oxidePartial oxidationPhysical and Theoretical Chemistrychemistry.chemical_classification010405 organic chemistryProcess Chemistry and TechnologyMethanolFormaldehídoMolybdenum oxide0104 chemical scienceschemistryChemical engineeringAnaerobic oxidation of methaneMethanolMethane
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Structural Characterization of Isomeric Dimers from the Oxidative Oligomerization of Catechol with a Biomimetic Catalyst

2007

In a previous paper, it has been reported about the formation of catechol di-, tri- and tetramers within an oxidative polymerization catalyzed by synthetic water-soluble iron-porphyrin as an efficient alternative to bio-labile natural peroxidase. It has also been demonstrated the occurrence of both C-C and C-O-C coupling mechanisms. However, since the coupling products were determined by mass spectroscopy, the exact bonding position could not have been precisely ascertained for the C-C bonded isomeric dimers that are the dominant products of catechol oligomerization. Therefore, here isolation and characterization of catechol isomeric dimers, obtained by oxidative coupling under the catalysi…

CatecholPolymers and PlasticsDimerMolecular MimicrySettore AGR/13 - Chimica AgrariaCatecholsRegioselectivityBioengineeringOxidative phosphorylationOxidative cathecolOligomerCatalysisCatalysisBiomaterialschemistry.chemical_compoundIsomerismPhenolschemistryPolymer chemistryMaterials ChemistryMoleculeOxidative coupling of methaneDimerizationOxidation-Reduction
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Powerful Fluoroalkoxy Molybdenum(V) Reagent for Selective Oxidative Arene Coupling Reaction

2013

We introduce the novel fluoroalkoxy molybdenum(V) reagent 1 which has superior reactivity and selectivity in comparison to MoCl5 or the MoCl5 /TiCl4 reagent mixture in the oxidative coupling reactions of aryls. Common side reactions, such as chlorination and/or oligomer formation, are drastically diminished creating a powerful and useful reagent for oxidative coupling. Theoretical treatment of the reagent interaction with 1,2-dimethoxybenzene-type substrates indicates an inner-sphere electron transfer followed by a radical cationic reaction pathway for the oxidative-coupling process. EPR spectroscopic and electrochemical studies, X-ray analyses, computational investigations, and the experim…

Cationic polymerizationGeneral ChemistryPhotochemistryCombinatorial chemistryOligomerCatalysisCoupling reactionchemistry.chemical_compoundElectron transferchemistryReagentReactivity (chemistry)Oxidative coupling of methaneSelectivityAngewandte Chemie International Edition
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Energy Transduction in Anaerobic Bacteria

2013

Anaerobic or facultatively anaerobic bacteria are able to grow in the absence of molecular oxygen by fermentation, anaerobic respiration, anoxygenic photosynthesis, and some other membrane-dependent reactions. Fermentation uses substrate-level phosphorylation for adenosine diphosphate phosphorylation, whereas the other processes rely on the formation of a H + or Na + potential over the membrane and a membrane-potential-driven ATP synthase. In growth reactions providing only a small free energy change, the latter reactions and use of a membrane potential is the preferred mechanism for energy conservation. Fermentation reactions supply products of biotechnological interest like short chain fa…

Cellular waste productAnaerobic respirationBiochemistryCellular respirationAnaerobic glycolysisAnaerobic oxidation of methaneFermentationAnaerobic bacteriaBiologyElectron transport chain
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