简介:Thereactionsofimidatesincludingcyclicimidates,oxazolinesanddihydrooxazinewithphenoxyacetylchloride,wereinvestigated.TheresultsindicatethatdiacylamideoracylamidewasgeneratedfromN-phenoxyacetylatedimidates,whilecyclicimidateoxazolinesunderwentaring-openingreactiontoyielddifferentamidesdependingonthereactionconditions.Evenundernon-nucleophilicconditions,noβ-lactam-fusedoxazolinederivativewasobtained.
简介:TheunimolccularreactionsofammoniaoxideH3NO,isomerizationanddehydrogenation,areinvestigatedbyabinitioMOcalculationswiththe4-31Gbasisset.Thegeometriesandenergiesofthereactant,transitionstatesandproductshavebeendeterminedonthesingletpotentialenergysur-face.Thereactionergodographyalongtheintrinsicreactioncoordinate(IRC)forthetworeactionshavebeenperformed.ThevibrationalfrequencycorrelationdiagramofthetworeactionsareanalyzedalongtheIRC.
简介:Difluorocarbenegeneratedfromthedecompositionoffluorosulfonyldifluoroaceticacid(2)reactedwithvarioussodiumsaltsofN-heterocycliccompounds(1)givingthecorrespondingdifluoro-methylatedproductsinacetonitrileat10—40℃.Benzotriazole(1a),benzimidazole(1b)andimidazole(1c)wereconvertedinto1-(difluoromethyl)benzotriazole(3a),1-(difluoromethyl)benzimidazole(3b)and1-(difluoromethyl)imidazole(3c)respectively.Indole(1d)reactedwith2togive-(fluorosulfonyldifluoro-acetate)indole(2d)ratherthantheexpecteddifluoromethylatedderivatives.
简介:Theaimofthisarticleistostudytheeffectivebehaviorofthesolutionofanonlinearproblemarisinginthemodellingofenzymecatalyzedreactionsthroughtheexteriorofadomaincontainingperiodicallydistributedreactivesolidobstacles,withperiodε.Theasymptoticbehaviorofthesolutionofsuchaproblemisgovernedbyanewellipticboundary-valueproblem,withanextrazero-ordertermthatcapturestheeffectoftheenzymaticreactions.
简介:QuantumMolecularDynamicsApproachforLowEnergyHeavyIonReactions¥WeiZhiyongandZhuYongtaiFragmentationintheheavyionreact...
简介:Animidazolemodifiedsilverelectrodeispreparedbyimmersingthesubstratesilverelectrodeina2%imidazolesolutionofethanolat50℃for10min.Themodifiedelectrodeisthensweptinacytochromecsolutionandthemodifiedlayertakesoffbecausethemodifiedelectrodeisveryunstable.Althoughtheamountofthesilver-imidazolecomplexisverysmallcomparedwiththeamountofcytochromecintheproteinsolution,itgreatlyfacilitatesredoxreactionsinvolvingthebiomacromolecules.
简介:Bis(β-alkoxy-ethylcyclopentadienyl)titanium(zirconium)dichlorideswasnewlysynthe-sized,andthroughinterfacialpolycondensationofbis(β-alkoxy-ethylcyclopentadienyl)titaniumdichlorideswithdiacids,diphenols,andhydroxy-acids,aseriesofnewtitaniumpolymerswereprepared.Thepolymersobtainedareyellowincolor,havingmol.wtsbetween10^3-10^6.Theypossessheat-resistantpropertiesandshowbettersolubilitiesthatCarraher′sseries.Thus,TG/DTGdeterminationsshowedthatwhilesufferinginitiallossofwts.ataround260℃-470℃,theyremainstableat600-800℃.Residualwts.arearound50%oftheinitialat947.5℃.Theyaresolubleinglacialaceticacid,DMAC,DMF,andDMSO.
简介:Morelocalizedenergydepositionisabletobeproducedinantiproton-nucleuscollisionsincomparisonwithheavy-ioncollisionsduetoannihilationreactions.Searchingforthecoldquark-gluonplasma(QGP)withantiprotonbeamshasbeenconsideredasahottopicbothinexperimentsandinthereticalcalculationsoverthepastseveraldecades.Strangenessproductionandhypernucleusformationinantiproton-inducednuclearreactionsareimportanceinexploringthehyperon(antihyperon)-nucleon(HN)potentialandtheantinucleon-nucleoninteraction,whichhavebeenhottopicsintheforthcomingexperimentsatPANDAinGermany.
简介:Carbonsupportedgold-iridiumcomposite(AuIr/C)wassynthesizedbyafacileone-stepprocessandwasinvestigatedasthebifunctionalcatalystforoxygenreductionreaction(ORR)andoxygenevolutionreaction(OER).ThephysicalpropertiesoftheAuIr/Ccompositewerecharacterizedbytransmissionelectronmicroscopy(TEM),X-raydiffraction(XRD)andX-rayphotoelectronspectroscopy(XPS).AlthoughtheAuandIrintheAuIr/Cdidnotformalloy,itisclearthattheintroductionofIrdecreasestheaverageAuparticlesizeto4.2nmcomparedtothatintheAu/C(10.1nm).BysystematicalanalysisonchemicalstateofmetalsurfaceviaXPSandtheelectrochemicalresults,itwasfoundthattheAusurfacefortheAu/Ccanbeactivatedbypotentialcyclingfrom0.12Vto1.72V,resultingintheincreasedsurfaceroughnessofAu,thusimprovingtheORRactivity.Bythesamepotentialcycling,theIrsurfaceoftheIr/Cwasirreversiblyoxidized,leadingtodegradedORRactivitybutuninfluencedOERactivity.FortheAuIr/C,IrprotectsAuagainstbeingoxidizedduetothelowerelectronegativityofIr.CombiningtheadvantagesofAuandIrincatalyzingORRandOER,theAuIr/CcatalystdisplaysanenhancedcatalyticactivitytotheORRandacomparableOERactivity.Inthe50-cycleacceleratedagingtestfortheORRandOER,theAuIr/Cdisplayedasatisfiedstability,suggestingthattheAuIr/Ccatalystisapotentialbifunctionalcatalystfortheoxygenelectrode.
简介:TheauthorshavestudiedtheDiels-Alderreactionsbetweenfuranderivativesandmaleimidederivativesinanionicliquidandhavefoundthathigherreactivitycanbeobtainedinaproticionicliquid[Mim]Tf2Nthanintheconventionalorganicsolvent.Furthermore,intheDiels-Alderreactionsof2-and2,5-alkylfuranswithN-alkylma-leimide,thereactivityincreasesbyextendingthealkylchainlengthofN-alkylmaleimide.Inaddition,itwasdemon-stratedthatendo-selectivityincreaseswhen2,5-disubstitutedfuransareused.TheseresultswillbeexplainedbycomparingthestabilityoftheDiels-Alderadductwiththatoftheproductsobtainedfromthereactionsof2-substitutedfuransand2,5-disubstitutedfurans.更多还原
简介:AconvenientprocedureforthepreparationofsomenewgermasesquioxidescontainingphosphonylgroupscarriedbyanintramolecularcatalyticMannich-typereactionisreported.
简介:Propargyliccarbonatesreactedwithdialkylcycloalkanone-α,α′-dicarboxylatesunderthecatalysisofPd(0)complextogivebicycliccompoundsinhighyields.Thetwoelectron-withdrawinggroupsatαandα′positionsofcycloalkanoneringsareessentialfortheannulationreaction.
简介:Basedonageneralclassificationandcharacteristiccomparisonoftheexistingmodels,anewmodelfornon-catalyticgas-solidreactionsisproposedandageneralformulationforthemodelintermsofthesolidconversion,X,ispresentedinthispaper.Themodel,referredtothegeneralizedmodel,isdemonstratedtobeapplicabletoanysolidreactantofgeneralstructurerangingfromhighlyporoustononporousmaterials.Itisshownthatthegeneralizedmodelincorporatesthegrainandporestructureforasolidpelletandcanbereducedtothegrainandrandomporemodelsasextremecases.