简介:TwopossiblereactionmechanismsofVS~+(~3∑~-,~1Γ)withCOinthegasphasehavebeenstudiedbyusingB3LYP/TZVPandCCSD(T)/6-311+G(3dr,3pd)methods:theO/Sexchangereaction(VS~++CO→VO~++CS)andtheS-transferreaction(VS~++CO→V~++COS).Thetworeactionsproceedviatwo-stepandone-stepmechanism,respectively.ThebarriersofthetripletandsingletPESsare30.6and50.9kcal/mol,respectively,forO/Sexchangereactionand7.3and50.2kcal/mol,respectively,fortheS-transferreaction.Theresultsindicatethatthetripletgroundstatereactionismorefavorable,andtheS-transferreactionismorefavorablethantheO/Sexchangereaction,whichisingoodagreementwiththeexperimentalobservation.
简介:Inthisnotesomerecurrencerelationsforthedimensionsofthesplinespacesonsocalled0-starsarepresented.
简介:Generally,ROSareregardedashostdefensemoleculesthatarereleasedbyneutrophilstodestroyexogenouspathogenssuchasbacteriaandtoactassecondarymessengersinsignaltransduction.However,increasedproductionofROSisalsoinvolvedininducingpathophysiologicalchangessuchasapoptosis,cellcycledisruption,andnecrosis.Forthisreason,inductionofROS-mediateddamageincancercellsbypharmacologicalagentsthateitherpromoteROSgenerationordisablethecellularantioxidantsystemisconsideredapotentialtherapeuticstrategyforpreferentiallykillingcancercells[1].
简介:TheinhomogeneityinacongrunetLiTaO3crystalhasbeenobservedbytransmissionsynchrotrontopography.ManyextraordinaryregionsexistincongruentLiTaO3crystalandtheyoftenshowdiffractionintensitydifferentfromthatofordinaryregionsinsynchrotrontopographs.DifferentialthermalanalysisindiatesthattheCurietemperatureoftheextraordinaryregionislowerthanthatofordinaryregion,andtheextraordinaryregionisreallyahighdefectdensityregion.Thediffractioncontrastoftheextraordinaryregioninsynchrotrontopographsisexplainedqualitativelybyacalculationattheselectedwavelength.2001PublishedbyElsevierScienceB.V.
简介:Thenew-typetractionboundaryintegralequationsdevelopedbyHuandwithnohypersingularintegralareappliedtoanalysisof3Dfinitecrackedbodies.Anumericalalgorithmforgeneral3Dproblemsandasemi-analyticaloneforaxisymmetricproblemsarepresented.Someexamplesofthickplatesandcylindricalcolumnsincludingpenny-shapedcrack(s),andrectangularplatesincludinganellipticalcracknormaltothesurfaceareanalyzed.Thecomparisonbetweenpresentresultsandthoseinliteratureshowsthehighaccuracyandeffectivenessofthepresentmethod.
简介:FurfuralinaqueoussolutionwastreatedbyUV/O3method.Theresultsshowthattheremovalrateoffurfuralisseverelyenhancedandthesynergismphenomenonappearswhenultravioletandozonearepresenttogether.TheinfluencesofexperimentalparameterssuchaspH,theintensityoflightandthenegative-positiveionsonfurfuraldegradationwereinvestigated.Theresultsindicatethatfurfural(300mg/L)isalmostcompletelydegradedafter3hundertheoptimumconditions.TheintermediateinthefurfuraldegradationwascharacterizedbyGC-MSandIRspectrumandthedegradationmechanismoffurfuralbyUV/O3technologywasproposed.
简介:Thetitlecompounds5a-5cwerepreparedviathereactionofmethyl2-perfluoroal-kynoates(4)withmethyl5-oxo-4-(triphenylphosphoranylidene)hex-2-enoate(3),whichwasobtainedfromthereactionofmethylpropynate(2)withacetylmethylenetriphenylphosphorane(1)at-5-0℃.IntramoleculareliminationofPh3POtookplacewhencompound5washeatedinaqueousmethanolat115-120℃insealedtube,yieldingdimethyl2-trifluoromethyl-4-methylisophthalate(6a)from5aandmethyl5-acetyl-4-hydroxy-2-heptafluoropropanylbenzoate(6b)from5b,respectively.Thestructuresofcompounds5,6aand6bwereconfirmedbyIR,MS,1HNMR,19FNMRand13CNMRspectroscopyandelementalanalyses.Rectionmechanismsfortheformationofcompounds5,6aand6bwereproposed.
简介:Pt/WO3/CnanocompositeswithparallelWO3nanorodsweresynthesizedandappliedasthecathodecatalystforprotonexchangemembranefuelcells(PEMFCs).Electrochemicalresultsandsinglecelltestsshowthatanenhancedactivityfortheoxygenreductionreaction(ORR)isobtainedforthePt/WO3/CcatalystcomparedwithPt/C.ThehighercatalyticactivitymightbeascribedtotheimprovedPtdispersionwithsmallerparticlesizes.ThePt/WO3/Ccatalystalsoexhibitsagoodelectrochemicalstabilityunderpotentialcycling.Thus,thePt/WO3/CcatalystcanbeusedasapotentialPEMFCcathodecatalyst.
简介:Erbium,Ytterbium-codopedZrO2nanoparticles(ZrO2∶Er3+,Yb3+)werepreparedbythesol-emulsion-geltechnique.Thepurposeofthepresentstudyistheapplicationofupconversionphosphorinthebiologicallabel.Inordertomakeoutthemechanismofupconversionunder980nmexcitationthe488nmpumpwasused.Theinfluenceoftemperatureonthecrystallitephasewasstudied.TheresultsconfirmtheupconvertedmechanisminZrO2∶Er3+,Yb3+nanocrystalsisduetoanenergytransferupconversion(ETU).
简介:CaF2:Ho3+/Yb3+nano-particleswithintensegreenup-conversion(UC)luminescencearesuccessfullysynthesizedviaafacilehydrothermalapproachbyusingNH4FasthefluoridesourceandNa2EDTAasachelatingreagent.PowderXraydiffraction(XRD),transmissionelectronmicroscopy(TEM),fieldemissionscanningelectronmicroscopy(FE-SEM),andUCemissionspectraareusedtocharacterizethestructures,shapes,andluminescentpropertiesofthesamples.TheeffectsfromfluoridesourcesandchelatingreagentsontheformationsofCaF2nano-particlesareinvestigated,andtheformationprocessisalsodeduced.Undertheexcitationofa980-nmlaserdiode,thesampleseachshowagreenup-conversionemissioncenteredat540nmcorrespondingtothe5S2/5F4→5I8transitionsofHo3+.Moreover,theUCmechanismsofHo3+/Yb3+co-dopedCaF2nano-particlesarealsodiscussed.