简介:Inthiswork,MoOxpromotedIr/SiO2catalystswerepreparedandusedfortheselectivehydrogenolysisoftetrahydrofurfurylalcohol(THFA)to1,5-pentanediolinacontinuousflowreactor.Theeffectsofdifferentnoblemetals(Ir,Pt,Pd,Ru,Rh),supportsandIrcontentswerescreened.Amongtheinvestigatedcatalysts,4wt%Ir-MoOx/SiO2withaMo/Iratomicratioof0.13exhibitedthebestcatalyticperformance.ThesynergybetweenIrparticlesandthepartiallyreducedisolatedMoOxspeciesattachedonthemisessentialfortheexcellentcatalyticperformanceofIr-MoOx/SiO2.ThecatalystexhibitedabetterhydrogenolysisefficiencyofTHFAwiththeselectivityof1,5-pentanediolof65%–74%ataconversionofTHFAof70%–75%whentheinitialTHFAconcentrationisrangingfrom20wt%and40wt%.AndhighersystempressurewasalsoinfavoroftheconversionofTHFA.Duringastabilitytest,theconversionofTHFAand1,5-pentanediolyieldoverIr-MoOx/SiO2decreasedwithreactiontime,whichcanbeexplainedbytheleachingofMospeciesduringthereaction.
简介:TheL-proline-functionalizedpolystyrenewith1-methyldecylenespacerwassynthesizedfrom2%divinylbenzene-crosslinkedpolystyrenegelvia10-bromo-1-methyldecylpolystyreneintermediate.Aftercomplexedwithcopper(Ⅱ)ion,thepolymerwithL-prolineligandwasusedasthechiralstationaryphase(CSP)forligandexchangechromatographyofaminoacidracemates.TheresultsshowedthattheCSPpossessedpowerfulenantioselectivityandallracematesofthefifteentriedaminoacidswerecompletelyseparated.
简介:Underinvestigationinthispaperisa(3+1)-dimensionalvariable-coefficientKadomtsev–Petviashviliequation,whichdescribesthepropagationofsurfaceandinternalwaterwaves.ByvirtueofthebinaryBellpolynomials,symboliccomputationandauxiliaryindependentvariable,thebilinearforms,solitonsolutions,B¨acklundtransformationsandLaxpairareobtained.Variablecoefficientsoftheequationcanaffectthesolitonicstructure,whentheyarespeciallychosen,whilecurvedandlinearsolitonsareillustrated.Elasticcollisionsbetween/amongtwoandthreesolitonsarediscussed,throughwhichthesolitonskeeptheiroriginalshapesinvariantexceptforsomephaseshifts.
简介:Aseriesofbenzo-fusedheteroaromaticcompoundswith5-,6-and7-memberedtings,suchasbenzimidazole,quinoxalineand1H-1,5-benzodiazepinederivatives,weresynthesizedthroughcondensationreactionofo-pheny1-enediaminewithary1aldehydesorketones.Theexperimentalconditionswerecarefullyexamined,andtheproductswerecharacterizedby^1HNMR,^13CNMR,MS,IRandelementalanalyses.Inaddition,thestructureofabenzodiazaepinederivativewith7-memberedringwasconfirmedbysinglecrystalX-raydiffractionanalysis.
简介:对将运行于日-地L1点的太阳观测器进行了热设计,重点论述了日-地L1点的轨道外热流计算和Lymanα日冕仪(LACI)反射镜M2光阱、Lymanα日冕成像仪(LADI)滤光片组件、CCD组件、电箱、观测器主体等部分的热设计方案。通过在探测器对日面设置集热板,将观测器的主动加热功耗降低了73%;选用预埋热管的设计方案解决了对日定向观测导致的框架温差问题。仿真分析结果表明,在对日高温工作、对日低温工作、低温存储、轨道转移等4个极端工况下,观测器各组件温度均满足指标要求。该热设计方案以较低的加热功耗,解决了太阳观测器在轨工作阶段的散热、轨道转移阶段的保温等问题,满足CCD焦面工作温度<-50℃的要求。
简介:Perovskite-typeLa1-xCexMnO3(x=0-10%)catalystswerepreparedbyflamespraypyrolysisandtheiractivitiesduringthecatalyticoxidationofbenzenewereexaminedoverthetemperaturerangeof100-450℃.ThestructuralpropertiesandreducibilityofthesematerialswerealsocharacterizedbyX-raydiffraction(XRD),N2adsorption/desorption,H2temperature-programmedreduction(H2-TPR)andX-rayphotoelectronspectroscopy(XPS).TheincorporationofCewasfoundtoimprovethebenzeneoxidationactivity,andtheperovskiteinwhichxwas0.1exhibitedthehighestactivity.Phasecompositionandsurfaceelementalanalysesindicatedthatnon-stoichiometriccompoundswerepresent.TheincorporationofCehadanegligibleeffectonthespecificsurfaceareaoftheperovskitesandhencethisfactorhaslittleimpactonthecatalyticactivity.IntroductionofCe44+resultedinmodificationofthechemicalstatesofbothB-siteionsandoxygenspeciesandfacilitatedthereducibilityoftheperovskite.ThesurfaceMn4+/Mn3+ratiowasincreasedasaresultofCe4+substitution,whileadecreaseinthesurface-adsorbedO/latticeO(Oads/Olatt)ratiowasobserved.Therelationshipbetweenthesurfaceelementalratiosandcatalyticactivitywasestablishedtoallowabetterunderstandingoftheprocessbywhichbenzeneisoxidizedoverperovskites.
简介:Cobaltandnickelcomplexes(1a-1dand2a-2d,respectively)supportedby2-imidate-pyridineligandsweresynthesizedandusedfor1,3-butadienepolymerization.ThecomplexeswerecharacterizedbyIRandelementanalysis,andcomplex1awasfurthercharacterizedbysingle-crystalX-raydiffraction.Thesolidstatestructureofcomplex1adisplayedadistortedtetrahedralgeometry.Uponactivationwithethylaluminumsesquichloride(EASC),allthecomplexesshowedhighactivitiestoward1,3-butadienepolymerization.Thecobaltcomplexesproducedpolymerswithhighcis-1,4contentsandhighmolecularweights,whilethenickelcomplexesdisplayedlowcis-1,4selectivityandtheresultingpolymershadlowmolecularweights.Thecatalyticactivitiesofthecomplexeshighlydependedontheligandstructure.Withtheincrementofpolymerizationtemperature,thecis-1,4contentandthemolecularweightoftheresultingpolymerdecreased.
简介:Refluxingcalix[4]-1,3-substitutedbenzaldehydederivative(4)withglycinehydrazidederivative,weobtainedanovelcalix[4]arenehydrazonederivative(5)via'1+2'condensationinayieldof78%.Inthereactionofcompound4withL-leucinehydrazidederivativeatroomtemperature,lariatcalix[4]-1,3-aza-crown(6)withchiralaminoacidgroupasbranchedchainwassynthesizedvia'1+1'additioninayieldof70%.Thepreliminaryextractionexperimentssuggestedthathostingcompounds5and6possessedgoodcomplexationabilitiesforα-aminoacids.
简介:应用分子力学、半经验量子化学RM1方法优化了32个抗野生型HIV-1病毒毒株的二芳基嘧啶类(DAPYs)化合物分子结构,从分子构象模型中提取了多种参数并结合疏水性参数与指示性参数建立QSAR多元线性回归方程.回归方程显示:分子体积V的增大会降低其抑制活性,而左苯环与嘧啶环间二面角日增大可以提高抑制活性.同时指示性参数工表明左苯环CN基团加入可以明显增加抑制活性,嘧啶环上R1位置苯基与硝基的加入可以极大降低抑制活性.