简介：Directasymmetricaldoladditionofmethylketonesto2,2,2-trifluoro-1-phenylethanoneanditsring-substitutedderivativeswasachievedusingL-prolineasachiralpromoter.Variousopticallyactiveβ-trifluoromethyl-β-hydroxyketoneswereobtainedinalmostquantitativeyieldswithmoderateenantioselectivitiesupto64%ee.

简介：

简介：Inthisarticle,nano-scaleAl/Fe2O3compositeswithdifferentmorphologiesweresuccessfullyobtainedbyasimpleelectrospinningtechnique,whichisbasedonasurfactant（polyvinylpyridine,PVP）inamixtureofN,N-dimethylformamide（DMF）and2-propanol.TheelectrospunAl/Fe2O3compositesexhibitedacrystalstructureandphasecompositionbyX-raydiffractionanalysis.ThedifferentmorphologiesoftheAl/Fe2O3compositeswerealsoobservedthroughscanningelectronmicroscopyandtransmissionelectronmicroscopy.Itwasfoundthattherathersimpleelectrospinningmethodusedtopreparethemorphology-controlledAl/Fe2O3compositesmayhavethepotentialforpreparationofpropellants,explosives,andpyrotechnicsinthefuture.

简介：MHP(CH3OOH)和EHP(CH3CH2OOH)的电离精力被方法根据在6-311+G*基础的Koopmans定理设置了的光谱学(足)测量和两个Gaussian-2(G2)计算和Hartree-Fock(HF)第一次铺平的HeI光电子决定了。MHP和EHP的PE系列的任务和描述被G2和HF计算也支持。MHP和EHP的第一个电离精力分别地是9.87和9.65eV。在空气的EHP的更高的溶解度被归因于他们的更低的电离精力价值。

简介：Asupramolecular1Dferromagneticsystemwasstudiedexperimentallyaswellastheoretically.Hybriddensityfunctionaltheory(DFT)calculationswerebasedontheX-rayanalysis.TheresultsofDFTcalculationsandMcConnellmechanismhavecontributedtotheunderstandingofthefactorsgoverningtheexchangecouplingofmagnetisminthecrystalpacking.Boththeexperimentalevidenceandtheoreticalcalculationindicatethatspindensityin2-iodonitronylnitroxide(INN)radicalsconfirms1Dferromagneticchainwithinter-chainantiferromagneticinteraction.

简介：在Au的鼹鼠比率的5nmAuPdnanoalloy:Pd=32:1被准备，作为reductant把钠柠檬酸盐用作稳定的代理人和NaBH4。AuPdnanoalloy被aptamer修改准备aptamer-AuPd(AptAuPd)为回声散布的探查(RS)5.01250nmol/LHg2+的察觉。AptAuPd-Hg2+aptamer反应答案被膜过滤，并且在filtrate的AptAuPd展出了强壮的催化效果在上慢捏粒子反应在之间NiCl2和NaH2PO2，和NiP粒子在508nm显示出一座RS山峰。当Hg2+集中增加了时，RS紧张减少了。减少的RS紧张对在0.51250nmol/L的范围的Hg2+集中线性。RS试金被用来在真实样品决定Hg2+，与好结果。

简介：HighlyactiveandselectiveCu/SiO2catalystsforhydrogenationofdimethyloxalate(DMO)toethyleneglycol(EG)weresuccessfullypreparedbymeansofaconvenientone-potsyntheticmethodwithtetraethoxysilane(TEOS)asthesourceofsilica.XRD,H2-TPR,SEM,TEM,XRFandN2physisorptionmeasurementswereperformedtocharacterizethetextureandstructureofCu/SiO2catalystswithdifferentcopperloadings.TheactivecomponentswerehighlydispersedonSiO2supports.Furthermore,thecoexistenceofCu0andCu+contributedalottotheexcellentperformanceofCu-TEOScatalysts.TheDMOconversionreached100%andtheEGselectivityreached95%at498Kand2MPawithahighliquidhourlyspacevelocityoverthe27-Cu-TEOScatalystwithanactualcopperloadingof19.0%(massfraction).

简介：ThecrystalstructureofN-(2,3,4,6-tetra-O-acetyl-β-D-gly-cosyl)-thiocarbamicbenzoylhydrazine(C22H27N3O9S)wasdeterminedbyX-raydiffractonmethod.Thehexopyranosylringadoptsachairconformation.Alltheringsubstituentsareintheequatorialpositions.Theacetoxyl-methylgroupisinsynclinalconformation.TheSatomisinsynperiplanarconformationwhilethebenzoylhydrazinemoietyisanti-periplanar.Thethiocarbamicmoietyisalmostcompanarwiththebenzoylhydrazinegroup.Therearetwointramolecularhydrogenbondsandoneintermolecularhydrogenbondforeachmoleculeinthecrystalstructure.Themoleculesformanetworkstructurethroughintermolecularhydrogenbonds.

简介：Inthispaper,athiol-functionalizednanophotocatalystMPTES/TiO_2wasfirstsynthesizedbyone-potmethodusingP123asatemplate.X-raydiffractionconfirmsthecompleteanatasecrystallineofthiol-functionalizedTiO_2,N_2adsorption-desorptionisothermdemonstratedthatthesematerialspossesshighsurfaceareaandmesoporousstructure.TheresultsofXPSshowthatMPTEShasbeensuccessfullypolymerizedinmesoporousstructuredTiO_2.Thephotodegradationofphenanthrene(PHE)wasinvestigatedundervisiblelightirradiation(λ>420nm)toevaluatethephotocatalyticactivityofthesematerials.BasedtheexperimentresultsofGC-Massanalysis,apossiblemechanismwasproposed.

简介：应用量子化学ＤＶＸα方法对钌系氰氯络合物进行了系统的理论计算和解析，确定了相应的稳定几何形态和微观电子结构，为合成、应用和深入研究它们的性能提供了重要的理论依据．

简介：ＳＴＵＤＩＥＳＯＮＴＨＥＳＹＮＴＨＥＳＩＳＡＮＤＲＥＡＣＴＩＯＮＷＩＴＨＡＬＫＯＸＩＤＥＳＯＦ３－ＯＸＯ－１，２－ＢＥＮＺＯＩＳＯＴＨＩＡＺＯＬＩＮＥ－２－ＡＣＥＴＡＭＩＤＥ１，１－ＤＩＯＸＩＤＥＳＧｕｏＦｅｎｇＺＨＡＯ；ＨｕａＺｂｅｎｇＹＡＮＧ（Ｉ...

简介：

简介：2,2’-二（1,1’-4-甲基-吡啶）联咪唑（L）、芳香二羧酸与乙酸镉在水热条件下反应得到了配位聚合物[Cd2（L）（p-bdc）2（H2O）2]n（1）和[Cd（L）0.5（m-bdc）]n（2）,并用单晶衍射仪定义了其晶体结构.结构分析表明,配合物1结晶属于正交晶系,Ibca空间群,配合物2结晶属于单斜晶系,C2/c空间群,进一步分析表明,所合成的2个化合物都是有扭曲α-Po拓扑的三维网络结构.在室温条件下,配体L和2个配合物均表现出较好的荧光性质.

简介：Asimpleandefficientmethodhasbeendeveloped;benzil/benzoinundergoessmoothcondensationwithvarioussubstitutedaldehydeandammoniumacetateinthepresenceofpotassiumdihydrogenphosphate(KH_2PO_4)undermildreactionconditionstoaffordthecorrespondingtrisubstitutedimidazoleinexcellentyields.Themethodforsynthesisofproduct,thereactionmixturewasrefluxinethanolfor40-90min.Thepresentmethodissimple,efficient,andcost-effective.

简介：

简介：Layereddoublehydroxides(LDHs)withhydrotalcite-typestructurecontainingFe3+,Al3+andMg2+werepreparedbymeansofacoprecipitationmethod.Theproductswerecharacterizedbyelementanalysis,X-raypowderdiffractionandtransmissionelectronmicroscopy.Itwasfoundthatevenifthemolarratioofn(Fe+Al)/n(Fe+Al+Mg)>0.33,yetapurehydrotalcite-likecompound(HTlc)phasewasgainedwhenn(Fe)/n(Al+Mg+Fe)≤0.30andn(Al)/n(Al+Mg+Fe)≤0.30;theAl(OH)3phaseappearedintheproductswhenn(Al)/n(Al+Mg+Fe)>0.30;andanamorphousphaseemergedwhenn(Fe)/n(Al+Mg+Fe)>0.33.TheseresultsshowthatthereisnoconcentrationsuperpositioneffectbetweenFe3+andAl3+onthecrystallinestateoftheproducedsamples.Inourpreviouswork,theconcentrationsuperpositioneffectbetweenZn2+andMg2+inthesynthesisofZn-Mg-Al-LDHswasfound.ForthepreparedFe-Al-Mg-LDHssamples,thevalueoflatticeparameteraisbetween0.30-0.32nm;andthevalueoflatticeparametercisbetween2.30-2.47nm,thebasalspacingisintherangeof0.76-0.83nm.Whentheratioofn(Fe)/n(Al)isaconstant,thevaluesofaandcincreasewiththeincreaseoftheMg2+contentoftheproducedsamples.Themeanparticlesizeandthemeancrystalgrainweredeterminedbyvirtueofaparticle-sizeinstrument,XRD-ScherrerformulaandTEMmethod,respectively.

简介：Basedonthestructure-activityrelationshipsofRGD-containingpeptides,aseriesof1,3-dihydro-l,3-dioxo-2H-isoindolederivativesweresynthesized.Allofthemwerefirstreported.Theirstructureswereconfirmedbyspectraldataandelementalanalysis.Theirabilitytoinhibitangiogenesiswereevaluatedinthechickembryochorioallantoicmembraneassayat-10^-5mol/L.Compounds5band5edisplayedobviouslyantiangiogenicactivity.

简介：Aunanoparticles(AuNPs)wereelectrodepositedatthehighlyorderedanataseTiO2nanotubearray(TiO2NA)electrodeundersonicating,andtheAuNP-TiO2NAsensorwascharacterizedbyscanningelectronmicroscope(SEM),X-rayphotoelectronspectroscopy(XPS),X-raydiffraction(XRD).ThephotoelectrochemicalexperimentsindicatetheAuNP-TiO2NAsensorhaslowerphotoelectro-resistance,higherphotoelectrocatalyticalactivityandstabilitythanthatofpureTiO2NAsensorunderthesameconditions.Theas-preparedsensorcanbeusedforthedeterminationofchemicaloxygendemand(COD)inrealsamples,andtheobtainedresultsarecomparablewellwiththoseofbystandardK2Cr2O7method.Themethodproposedissimple,fast,costeffective,andenvironmentallyfriendly.

简介：采用自洽场离散变分Xa(SCC-DV-Xa)方法对纯V2O5及夹层V2O5的能带结构、态密度、键强度、电子集居数等进行了研究.结果表明，Li+引入V2O2层间的最佳位置是在双键氧之下(或之上)，且靠近层的中心位置，此时它与周围原子间的作用力非常微弱，并且材料的导电性增强，使夹层复合材料Li+注入/脱出具有很好的可逆性和较好的光学性质.

简介：采用油的酸的一条简单solvothermal途径被开发了与不同形状准备锐钛矿TiO2nanocrystals，它被从0～0.5mmol增加NaF的数量从nanorods调节到nano椭圆体，并且光乐队差距因此从3.47eV减少了到3.29eV。不管多么当氟化物被改变到NH4F，结果的TiO2nanocrystals拥有了一个锐钛矿阶段，但是由小尺寸的nanocrystals组成并且nanorods，和乐队差距被增加到3.53eV。X光检查光电子光谱学(XPS)结果与NaF的增加的数量说明了氟的符号内容的增加为形状和光乐队的变化的报道能TiO2nanocrystals豁开。而且，氟的符号内容的缺席引起了形状的更少的变化，产品的光乐队差距的增加面对NH4F。这结果可以提供另一个方法与氟化物的帮助改变形状和金属氧化物nanocrystals的乐队差距。