简介：

简介：2-Amino-l,l-diferrocenylethanol2waspreparedbyreductionoftrimethylsilylcyanohydrinetherofdiferrocenylketone.Thecrystalstructureof2wasfurtherdefinedbyX-raydiffraction.

简介：密度功能的计算被执行了比较地调查Au(I)的二条可能的小径有炔属羟的-ketoesters的催化Conia-ene反应。我们的研究发现在trifluoromethanesulfonate(TfO)的帮助下面，-ketoester是很可能为II建模经历到isomerize进它的enol形式，TfO通过一个6成员戒指转变状态在起一个质子转移作用。到炔属羟三元组契约的Au(I)催化剂的协作能提高eletrophilic能力和炔属羟一半的反应活动，它在炔属羟一半上触发enol一半的亲核的增加给vinyl-Au中介。这cycloisomerizaion步是由有56.0kJ/mol的一个精力障碍的21.3kJ/mol的exothermal。在整个催化过程，vinyl-Au的protonation是几乎自发的，并且enol的形成是限制率的步。enol的产生和炔属羟上的Au(I)催化剂的激活是Conia-ene反应能处于温和状况发生的关键原因。Au(I)催化的这些计算支持有炔属羟的-ketoesters的Conia-ene反应通过2由Toste建议了的小径。

简介：CardiactroponinI(cTnI)wasseparatedandpurifiedfromhumanleftventriculartissuebyaffinitychromatographicmethodandusedtoimmunizeBalb/cmicebyintraperitonealinjectionandfourhybridomacelllines,whichsecretedmonoclonalantibody(mAb)againsthumancTnI,wereobtainedbycellfusion,identificationandcloningtwice.ThreemAbs(9F5,2F11,8C12)wereproducedfromtheascitesofBalb/cmiceinjectedintraperitoneallythehybridomacellsandcharacterizedbymeansofasurfaceplasmonresonance(SPR)biosensor.AnoptimalandspecificsensingmembranefortroponinIwaspreparedwithstaphylococcalproteinA(SPA)astheintermediatelayerandmAbagainsthumancTnIasthecaptureantibody.Onthebasisofthesensingmembrane,twomodesofoperationoftheSPRbiosensorweredeveloped,i.e.,adirectdetectionofantigen-antibodyaffinityandasandwichassay.Inthesandwichassaydetectionmode,themAbscompetitionwasmeasuredbymonitoringwhetherthesecondaryantibodyhadbeenattachedtothecTnIalreadycapturedbythefirstantibodyonthesensorsurface.TheSPRbiosensorwasshowntobeabletodirectlydetecttheantigen-antibodyaffinityandtheorderoftheaffinitywasfoundtobe9F5＞2F11＞8C12.Inthesandwichdetectionmode,itwasfoundthatthedifferentepitopesonthecTnImoleculeswererecognizedbythethreemAbsrespectively,buttheasymmetricalcompetitionwasshownbetween2F11and8C12andnocompetitionwasfoundbetween9F5and2F11or8c12.Basedontheseresults,adoublemonoclonalsandwichimmunoassayforcTnIwasdevelopedbyusingtheoptimalantibodypairof9F5and2F11andtheSPRbiosensorwithSPAsubstratemembrane,whichshowedanexcellentsensitivityof0.8μg/LforboththebufferandtheserumsamplescomparedwiththedirectdetectionofcTnIforthebufferwiththelowestdetectionlimitof4μg/LandconventionalELISAwiththesensitivityof1.9μg/L.

简介：Thestrueturaleffectoftheconjugativesystem(C)withcarbonyl-iminobridgeshasbeenstudied.Theresultsshowthat:Intheconjugatedsystem(C),thereisnoelectronicabsorptionpeakattributabletothewholesystem,buttherearethreeπ-π*bandseachntwhichdisplayschacactecisticsofitsownindependently.Theseindicatethatthetwobridges-carbonyl-and-imino-canblockthetlanSmlSSionoftheconjngativepolarizationofthewholesystem,soastoformthreesegments,thisisverifiedbymeansofchemicalsynthesisanddegradation.

简介：提出了一种求解离子晶体等价格点的单粒子离子Dirac方程方法，确定离子晶体的点电荷电量。利用阴阳离子上分配的价电子数之比，给出了计算离子晶体化学键性质的关单式计算了MX（M=Li、Na、K、Rb、X=F、Cl、Br、I）系列晶体点电产电量值和化学键性质，得到了比较好的结果

简介：Understeady-stateconditions,thegeneralcurrentsofEEreactionsatdisk,hemisphericalandsphericalmicroelectrodesarederived.Fromtheseequations,someelectrodereactionparameterscanbeverysimplyobtained.

简介：Copolymerizationofstyrene(St)andisoprene(IP)wascarriedoutwithacatalystsystemcomposeaofanhydrouslanthanidechloridehexamethylphosphoramidecomplex(LnCl3·HMPA)andaluminumorganiccompound(AOC).Amongthecatalystsexamined,catalystNdCl3·HMPA/AI(i-Bu)3showedahighactivityinthecopolymerizationundercertainconditionsgivingcopolymers(5%—15%Stcontent)withhighcis-1,4microstructureinIPunits(>95%).TheeffectsofHMPA/Ndmolarratio,Al/Ndmolarratio,monomer/Ndmolarratio,Stfeedratio,andthereactiontimeoncopolymerizationwereexaminedwiththiscatalyticsystem.Theobtainedcopolymerswerecharacterizedby^1Hand^13CNMRspectroscopiesandgel-permeationchromatography(GPC).

简介：以2-醛基吡啶和1，2-二（对氨基苯氧基）乙烷进行缩合得到Schiff碱配体L，然后与AgSbF6进行配位反应，得到了席夫碱配合物[Ag（L）SbF6]n，用元素分析、FT-IR和X-射线单晶衍射进行了表征．结果表明，配合物属于单斜晶系，P21／n空间群，每个Ag（I）的配位环境均为扭曲四面体，每个配体L通过其两端的2个N原子同2个金属离子配位桥联形成一维螺旋链结构．

简介：Shortpeptidesbasedonthetripeptides,Leu-Arg-ProandLeu-Lys-Pro,weresynthesizedbymicrowaveassistedsolid-phasesynthesismethod,inordertomakeasearchforpotentialinhibitorsforangiotensinI-convertingenzyme(ACE)withminimumsideeffectsinthetreatmentofhypertension.OnepeptidewiththesequenceLeu-Arg-Pro-Phe-PheshowsthestrongestinhibitiontowardsACEwithanIC50valueof0.26μmol/Linvitro.Thestudyofstructure-activityrelationshipshowsthattheintroductionofabulkygroupintotheN-terminalofthisseriesofinhibitorsmayenlargesterichindrance,resultinginthepoorinhibitoryactivitytowardsACE.TheinhibitoryactivitydecreasedinturnwhenL-Pro,D-ProorAc6cwasattheC-terminalrespectively.ThebindinginteractionbetweeneachoftheseinhibitorsandtesticularACE(tACE)wasperformedbymoleculardocking.TheresultssuggestthatLeu-Arg-Pro-Phe-PhemainlyoccupiedtheS1subsiteoftACE,andmadecontactwithtACEviasevenH-bonds.ItappearedthatthesiteonthepeptidethatboundwithtACEwasinfluencedbytheconfigurationoftheaminoacid,LorD-form,attheC-terminalofthepeptide.

简介：ACupro-8-thioquinolinecoordinationpolymer,[Cu^I(C9H6NS)]n,wassynthesizedbymethano-thermalreactionofCuCland8,8′-dithiodiquinoline(dtdq)inamolarratioof2:1at160℃for7d.X-Raysinglecrystalstructuredeterminationrevealedtheformationofaone-dimensionalstructurebelongingtomonocliniccrystalsystem,spacegroupP21/cwithcellparametersa=0.8043(1)nm,b=1.8949(3)nm,c=1.1048(1)nm,β=110.109(4)°,V=1.5810(4)nm^3andZ=4,Thecrystalwasfoundtobestableuptoapproximately300℃bythermalanalysisandhaveanenergygap(Eg)of2.0eVexhibitedbyUV-Vis-NIRreflectancespectrum.

简介：在有ArSSAr的THF的SmI2的反应生产了二binuclear钐thiolate建筑群[(THF)3I2-Sm(-SAr)]2[Ar=Ph(1)，4-Me2NC6H4(2)]在高收益。2的结构被单个水晶X光检查晶体学描绘。2的水晶与空格组和a=0.95705(13)一起属于三斜晶系的系统nm，b=1.22287(14)nm，c=1.26450(14)nm，=64.194(11)??匭吗？？v？？

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简介：采用半经验PM3方法对1,2,4-苯并噻二嗪-1,1-二氧类化合物的4种衍生物进行了量子化学计算,从几何构型、电子结构、前线分子轨道等几方面探讨了取代后体系电子性质的规律性变化,为药物合成提供理论基础和实验指导.

简介：Four1,2,3-trisubstitutedimidazoliniumiodideswhichwereusedas5,10-+CPh-THFmodel（7-10）atformicacidoxidationlevelweresynthesized.Thebenzylidynegroup（phenyl-substitutedonecarbonunit）transferreactionsfromthesecompoundstoGrignardreagentwerein-vestigated,andthereactionsofthesecompoundswithKBH4andNaOHwerealsostudied.

简介：采用密度泛函方法(B3LYP)优化了MX2(AsH3)2[M=Pd;X=Cl(1),Br(2),I(3)和M=Pt;X=Cl(4),Br(5),I(6)]的基态结构,得到的几何参数与实验结果符合.以基态几何为基础,将TD-DFT方法用于计算标题配合物的电子吸收光谱.研究结果表明,金属的dx2-y2与配体所组成的反键轨道为LUMO轨道,从而该类配合物具有d-d跃迁属性的吸收带;在多数跃迁过程中,配体也有较大的贡献.

简介：FiveC3/C3fluoroquinolonedimerstetheredwithafusedheterocyclicringofs-triazolo[2,1-b][1,3,4]thiadiazolederivedfromantibacterialquinolonesweresynthesizedandcharacterized,andtheirinvitroantitumoractivityagainstL1210,CHOcelllineswasevaluatedviatherespectiveIC50values.