简介：At-hyperwheel(t≥3)oflengthl(orW(t)lforbrevity)isat-uniformhypergraph(V,E),whereE={e1,e2,...,el}andv1,v2,...,vlaredistinctverticesofV=∪eii=1lsuchthatfori=1,...,l,vi,vi+1∈eiandei∩ej=P,j∈/{i1,i,i+1},wheretheoperationonthesubscriptsismodulolandPisavertexofVwhichisdifferentfromvi,1≤i≤l.Inthispaper,theminimumcoveringproblemofMCλ(3,W(3)4,v)isinvestigated.DirectandrecursiveconstructionsonMCλ(3,W(3)4,v)arepresented.Thecoveringnumbercλ(3,W(3)4,v)isfinallydeterminedforanypositiveintegersv≥5andλ.
简介：Onenewsesquiterpenecompound,namely,illihenlactoneA（1）,andonenewprenylatedC6–C3compound,illihenryioneH（2）,alongwiththreeknownsesquiterpenes（3–5）wereisolatedfromthestemsofIlliciumhenryi.Thestructuresof1and2wereelucidatedbyspectroscopicevidenceincludingNMR,HRESIMSandcirculardichroism（CD）.Compound2exhibitedaweakinhibitoryratioforbglucuronidasereleaseinducedbyplatelet-activatingfactor（PAF）inratpolymorphonuclearleukocytes（PMNs）invitro.
简介：FiveC3/C3fluoroquinolonedimerstetheredwithafusedheterocyclicringofs-triazolo[2,1-b][1,3,4]thiadiazolederivedfromantibacterialquinolonesweresynthesizedandcharacterized,andtheirinvitroantitumoractivityagainstL1210,CHOcelllineswasevaluatedviatherespectiveIC50values.
简介：[Co3(1,2-S2C6H4)3(PPh3)3][CoBr3(DMF)].sol(1,sol=CHCl3,O(C2H5)2,H2O)wasobtainedfromthereactionofCoBr(PPh3)3withNa2(S2C6H4)inchloroform.TheCo3coreinthecationof1exhibitsametal-metalbondedisoscelestriangle,inwhichthetwolongerCo-CobondsarebothbridgedbyS2C6H4ligandsontwosidesofthetriangleplanerespectively,whilethebottomshortCo-CobondisbridgedbythethirdbidentateS2C6H4ligand.Aseriesofpolynu-clearcobaltclustercompoundswithphosphine,thiolateand/orsulphurligandswerepreparedbylowoxidationstateCo+withthiolatesinorganicsolvents.Thesetri-,tetra-,hexa-,heptanuclearclustercompounds1-8withvarioustypesofcrystalstructurescanbeviewedasthecondensedpolynuclearcobaltcomplexesthatthecobaltatomframeworkswithsulphurbridgedwerebuiltthroughthesmalltriangularunitsof[Co3S3nL3](n=1,2)withorwithout[CoL](L=PR3,Br,Cl,5-C5H5)fragments.
简介：采用密度泛函B3LYP/6-311G（d,p）方法对CH3F与C2H3的反应体系进行了理论研究,获得了反应的势能面信息及可能的微观机理.在QCISD（T）/6-311＋＋G（d,p）水平上精确计算了各反应物种的单点能.结果表明,除抽提氢反应外,标题反应还存在抽提氟（R1）、消氟化氢（R2）、消氢（R3）和自由基形成（R4）四类反应.在QCISD（T）/6-311＋＋G（d,p）//B3LYP/6-311G（d,p）水平上,R1,R2,R3和R4反应的能垒分别是163.9,152.2,209.8和224.2kJ·mol-1,相应反应能为-56.6,-164.3,-2.7和-156.0kJ·mol-1,所有反应均放热,为热力学允许的反应.
简介：Tris)(η5-cyclopentadienyl-μ-carbonyl-iron)-μ3-nitrosylclusterwasobtainedfromthereactionofcyclopentadienyldicarbonylirondimerwithnitrogenmonoxideinxylene.Theclusterwascharacterizedbyelementalanalyses,IR,MSand1HNMR.Thecrystalstructureof[(η5-C5H5)(μ-CO)Fe]3(μ3-NO).C4H8OwasdeterminedbyX-raydiffractionanalysis.ItcrystallizesintheorthorhombicspacegroupPnma,a=9.053(2),6=10.545(2),c=22.525(4)A,V=2150.3(7)A3,Z=4,Dc=1.68g.cm-3;structuresolutionandrefinementbasedon1141reflectionswithI>3.0(I)(MoKa,A=0.71073A)convergedatR=0.0540.Theinfraredabsorptionbandat1325cm-1oftheμ3-NOinthecluster,whichisredshifted,showsthatμ3-NOisactivated.
简介：Catalyticcombustionofpropane-airmixturewasinvestigated.Platinumcatalystsoveraflatstainlesssteelwithγ-aluminawashcoatwereemployed.Theemployedburnerhasthreecatalystssetparalleltothemixtureflow,spacedatanintervalof5,10and15mm.Bothexperimentandnumericalsimulationweremadeatinlettemperatureof553K,inletvelocityof3to7m/sandequivalenceratioof0.3to0.5.Inthenumericalsimulation,two-dimensional,steadystatemodelwasdevelopedtocalculatethetemperatureandspeciesconcentrationingas-phase.Inthismodel.chemicalreactiononthecatalystsurfaceandthatinthegasphasewereassumedtooccurinthree-steps.Thenumericalresultsshowgoodagreementwithexperimentalresults.Itwasfoundthatthepropertiesofthecatalyststronglyaffectthecatalystsurfacetemperature.Especially,thethermalconductivityofcatalysthasagreateffect,whiletheemissivityofcatalysthaslesseffect.
简介：Pt/WO3/CnanocompositeswithparallelWO3nanorodsweresynthesizedandappliedasthecathodecatalystforprotonexchangemembranefuelcells(PEMFCs).Electrochemicalresultsandsinglecelltestsshowthatanenhancedactivityfortheoxygenreductionreaction(ORR)isobtainedforthePt/WO3/CcatalystcomparedwithPt/C.ThehighercatalyticactivitymightbeascribedtotheimprovedPtdispersionwithsmallerparticlesizes.ThePt/WO3/Ccatalystalsoexhibitsagoodelectrochemicalstabilityunderpotentialcycling.Thus,thePt/WO3/CcatalystcanbeusedasapotentialPEMFCcathodecatalyst.
简介：Theabinitiomolecularorbitalmethodisemployedtostudytheenantioselectivereductionofacetophenonewithboranecatalyzedbythiszolidino[3,4-c]oxazaborolidine.Computationresultshowsthatthecontrollingstepforthereductionisthedecompositionofthecatalyst-alkoxyboraneadductandthereductionleadstoS-alcohols.ThetransitionatateofthehydridetransferfromtheboranemoietytothecarbonylcarbonofacetophenoneisatwistedchairstructurewithaB(2)-N(3)-BBH3-HBH3-CCo-OCO6-memberedring.
简介：APt-MoO3/Ccatalyst,aimedtoeliminatetheharmfuleffectofsulfurdioxide（SCb）ontheperformanceofPtnanoparticles（NPs）forcatalysisofoxygenreductionreaction（ORR）inprotonexchangemembranefuelcells（PEMFC）,isdevelopedandcharacterizedbyTEM,XRDandXPS.TheresultsrevealthatPt-MoO3/Ccatalystexhibitsnotonlyahighercatalyticactivity,butalsoabetterSO2poisoningresistanceandabetterrecoveryperformancethanthecommercialPt/Ccatalystdoes.
简介：AfacilehydrothermalmethodwasdevelopedforthepreparationofFe2O3@CnanocompositesusingFeCl3·6H2Oasironsourceandglucoseascarbonsourceunderalkalinecondition.Themorphologyandstructureoftheas-preparedproductwereidentifiedbytransmissionelectronmicroscopy(TEM),highresolutiontransmissionelectronmicroscopy(HRTEM),field-emissionscanningelectronmicroscopy(FESEM),X-raydiffraction(XRD),Ramanspectroscopy,FourierTransforminfraredspectroscopy(FTIR),andthermogravimetricanalysis(TGA).Theas-prepareα-Fe2O3@Cnanocompositeswereemployedforsupercapacitorelectrodematerial.Thesynergisticcombinationofcarbonelectricaldouble-layercapacitanceandα-Fe2O3pseudo-capacitanceestablishedsuchnanocompositesasversatileplatformforhighperformancesupercapacitors.Thesynthesismethoddevelopedhereisexpectedtoobtainothermetaloxide/carboncomposite.
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