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简介：Thepaperdealswiththeinfluenceofanodematerialontheefficiencyofdegradationfororganicpollutantsinwatersystem.Theelectrochemicalperformanceoffluorineiondopedleaddioxide(F--PbO2)electrodeforthedegradationofanilinewascomparedwiththatofundopedleaddioxide(PbO2)electrodebyultraviolet-visible(UV-Vis)spectroscopy,linearvoltammetryandotheranalyticalmethods,suchasthemeasurementbychemicaloxygendemandanalyzer,highperformanceliquidchromatographyandscanningelectronmicrography.ItwasshownthatbothPbO2electrodeandF--PbO2electrodecouldmakeanilinebemineralizedcompletelyandhavethesamedegradationcourse,butF--PbO2electrodehasmuchhigherelectrocatalyticactivitythanundopedPbO2electrodefortheelectrochemicaldegradationofaniline.TheexperimentalresultsconfirmthatF--PbO2electrodehasmuchhigherpotentialforoxygenevolutionthanundopedPbO2electrode.

简介：Quasiclassicaltrajectorycalculation(QCT)isusedfrequentlyforstudyingcollisionalenergytransferbetweenhighlyvibrationallyexcitedmoleculesandbathgases.Inthispaper,theQCToftheenergytransferbetweenhighlyvibrationallyexcitedC6F6andN2,O2andgroundstateC6F6wereperformed.TheresultsindicatethathighlyvibrationallyexcitedC6F6transferredvibrationalenergytovibrationaldistributionofN2,O2andgroundstateC6F6,sotheyareV-Venergytransfer.EspeciallyitismainlyV-VresonanceenergytransferbetweenexcitedC6F6andgroundstateC6F6,excitedC6F6transfersmorevibrationalenergytogroundstateC6F6thantoN2andO2.ThevaluesofQCT,-〈△Evib〉ofexcitedC6F6aresmallerthanthoseofexperiments.

简介：Wehavesuccessfullysynthesized1-(2′-Phenyl)cycloproply1-2,3-epoxypropan-1-ol3,whichwillbeappliedtothekineticsstudyofoxiranylcarbinylradical.

简介：Treatmentof4-amino-3-(1-aryl-5-methyl-1,2,3-triazol-4-yl)-5-mercapto-1,2,4-triazoles/2-amino-5-(1-aryl-5-methyl-1,2,3-triazole-4-yl)-1,3,4-thiadiazoleswithbenzaldehyde,acetoneandω-bromoacetophenonewastestedandcompared.ThetitlecompoundsSchiffbases,amides,imidazolo[2,1-b]-1,3,4-thiadiazolesand7H-s-triazolo[3,4-b]-1,3,4-thiadiazineshavebeenconfirmedbyelementalanalyses,^1HNMR,IRandMSspectra.AllthecompoundshavealsobeenscreenedfortheirantibacterialactivitiesagainstB.subtilis,S.aureusandE.coli.

简介：采用UMP2/6-311＋G（3df）方法研究了一系列化合物M_（n＋1）F_n（n=1,2;M=Na,K）体系的几何构型及非线性光学性质（NLO）.结果表明：这些体系均为超价化合物,均拥有较大的第一超极化率（β_0）.尤其是Na_3F_2体系中结构2c的β_0值为29.16×10~（-49）C~3·m~3·J~（-2）,是已知超价化合物Li_3F_2的2c结构的β_0值2.22×10~（-49）C~3·m~3·J~（-2）的13.1倍.

简介：　　Enantioimericallypure1,l'-bi-2-naphthol(BINOL)1anditsderivativesareimportantchiralligandsandauxiliariesforanumberofasymmetrictransformations1suchasaldolcondensations,alkylations,Diels-Alderreactions,Michaeladditions,epoxidations,etc.Opticallypure1andtheirderivativeshavealsobeenusedextensivelyinchiralrecognition,chiralseparationandintheconstructionoffunctionalisedmaterials2.Furthermore,(R)-and(S)-BINOLarealsofundamentalstartingmaterialsforthesynthesisofalargevarietyofotherchiralbinaphthylssuchasMOP(2c),NOBIN(2d)andBINAP(2e).Asaresultthedevelopmentofefficientandeconomicmethodsforthepreparationofopticallypure1hasattractedmuchattentioninrecentyears3andnovelmethodsfortheresolutionof(±)-1continuetobedeveloped.……

简介：Apracticalprotocoltoobtain1,1'-binaphthyl-2,2'-diaminewasdevelopedfrom2-naphtholand2-naphthylhydrazineundermildconditions:solvent-free,125-130℃,atmosphericpressure.Theconvenientproceduremakestheprocessamenableforlarge-scalesynthesisoftheversatilecompound.

简介：New[1+1]and62-membered[2+2]Schiffbasemacrocyclescontaininga2,6-diamidopyridinesubunithavebeensynthesizedbycondensationreactionoftheprecursorspyridine-2,6-dicarboxamideand1,10-bis(20-formylphenyloxy)decaneinthepresenceofphosphoricacidviaaone-potprocess.Thecyclocondensedproductswereeffectivelyisolatedbygelcolumnchromatographyandcharacterizedby~1HNMR,FTIR,massspectrometryandX-rayanalysis.Thetwomacrocycleshaveatwistedstructure,andnotanopen‘circular’conformationinthesolidstate.

简介：Thetitlecomplex,[La(baec)1/2(H2btec)1/2(H2O)]n(H4btec=1,2,4,5-benzenetetracarboxylicacid)(1)wassynthesizedbythehydrothermalreactionof1,2,4,5-benzenetetracarboxylicdianhydridewithLa(NO3)3·6H2OinH2O,andcrystallizesinthetriclinicsystem,spacegroupP-1withα=0.64403(3)nm,b=0.94500(4)nm,c=0.96380(5)nm,α=88.535(2)°,β=100.314(2)°,γ=76.6470(10)°,V=1.69968(10)nm^3,Z=2,andfinalR=0.0274,Rw=0.0735.In1,eachLa(Ⅲ）ioniscoordinatedbyeightoxygenatomsfromsixcarboxylategroupsandonecoordinatedwatermolecule.TwodifferentcoordinstionmodesofH4btecwerePresentinthestructure,oneofwhichcontainstwoprotonatedcarboxylategrougpstobalancethecharge.

简介：ＳＹＮＴＨＥＳＩＳＡＮＤＡＮＴＩ－ＨＵＭＡＮＩＭＭＵＮＯＤＥＦＩＣＩＥＮＣＹＶＩＲＵＳ－１（ＨＩＶ－１）ＡＣＴＩＶＩＴＹＯＦ９－（２－ＰＨＯＳＰＨＯＮＹＬＭＥＴＨＯＸＹＥＴＨＹＬ）ＡＤＥＮＩＮＥ（１）ＡＮＤＩＴＳＲＥＧＩＯＩＳＯＭＥＲ３－（２－ＰＨＯ...

简介：Anovelsupportedliquidphasefilmcatalyst:SupportedPdCl2-(n-C4H9)4N+Cl-moltensaltswasfoundtobeaneffectivecatalystwithgoodstabilityforselectivehydrodechlorinationofCCl2F2(CFC-12)toitsalternativesCH2F2andCHClF2.AdditionofCoCl2,GaCl3andCuCl2toPdCl2-(n-C4H9)4N+Cl-modifiesthecatalyticperformanceofsupportedmoltensalts.

简介：TofindoptimalconditionsforexpressingthesolubleformofsFv-2F3andtostudythepurificationandpropertyofitsderivativeSe-sFv-2F3,thepreferredexpressionconditionswereinvestigatedbymeansoforthogonaldesign.Thesecultureconditionsincludedincubationtemperature,inducerconcentration,inductiontimeandcellconcentration.TheevaluationofexpressionwasaccomplishedbytheanalysisofwholecelllysatesandtheyieldofsolublesFv-2F3wascalculatedaccordingtotheanalysisofProfinder(FTI-500,Pharmacia).Thepurificationprocedurewascarriedoutviaatwo-steppurificationprocedureconsistingofion-exchangechromatography,followedbyimmobilizedmetalaffinitychromatography(IMAC).TheantioxidantefficacyofSe-sFv-2F3wasdemonstratedbythedeterminationofthecontentofthemainproductoflipidperoxidation,MDA,theviabilityofcellsandtheactivityofLDH.WeobtainedthepreferredcultureconditionstogrowtheengineeredbacteriaandtheprocedureforpreparingsolublesFv-2F3andconfirmedtheantioxidantefficacyofSe-sFv-2F3.

简介：存取2-substituted-N1-carbethoxy-2,3-dihydro-4(1H)的一条灵巧、有效、新奇的途径-quinazolinones是被代替的N-carbethoxyanthranilamide的冷凝作用用p-toluenesulfonic酸在refluxing2,2,2-trifluoroethanol或hexafluoroisopropanol与烷基，aromatic或异种aromatic醛开发催化剂。

简介：利用Gaussian03软件包,采用多种方法和多种基组对CCl和CCl2分子的基态结构进行优化计算,优选出B3P86/6-311＋G（3df）方法对CCl分子进行计算得到基态为X2Π、键长RCCl=0.16442nm,谐振频率ωe=886.3062cm-1;优选出B3P86/6-311G（2df）方法对CCl2分子进行计算得到基态为X1A1,平衡核间距RC—Cl=0.17194nm、键角βCl—C—Cl=109.2457°、离解能De=3.4635eV,并计算出了谐振频率和力常数,其结果与实验值符合很好.并采用多体展式理论推导出CCl2自由基的解析势能函数,其等值势能图准确呈现出CCl2分子的结构特征及能量变化曲线.由此讨论了Cl＋CCl和C＋ClCl分子反应的势能面特征.可用于研究该分子的微观反应动力学特性.

简介：一系列1-(N-(2-(2-methoxyphenylthio)本甲基)-N-methylamino-3-aryloxypropan-2-ols衍生物基于5-HT1A/SSRI药设计策略被设计并且综合。综合混合物为他们的双5-HT1A/5-HTT活动被评估。

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：过量臼齿的卷VmEand运动学的粘性为丙烯乙二醇monomethyl醚(1-methoxy-2-propanol)的二进制混合物作为作文的一个函数被测量了，MeOCH2CH(哦)我，丙烯乙二醇monoethyl醚(1-ethoxy-2-propanol)，EtOCH2CH(哦)我，丙烯乙二醇monopropyl醚(1-propoxy-2-propanol)，PrOCH2CH(哦)我，丙烯乙二醇monobutyl醚(1-butoxy-2-propanol)，BuOCH2CH(哦)我，和丙烯乙二醇tert丁基醚(1-tert-butoxy-2-propanol)，t-BuOCH2CH(哦)我与1-butanol臼齿的体积是的过量为系统2-butanol+1-methoxy-2-propanol，和+1-propoxy-2-propanol越过为有1-butanol的所有系统的全部范围ofcomposition否定、积极，为为系统2-butanol+1-ethoxy-2-propanol，和+1-tert-butoxy-2-propanol的系统2-butanol+1-butoxy-2-propanol，和变化符号否定。从试验性的数据，在从xii的动态粘性的偏差被计算了。两过量臼齿的卷和粘性偏差被方法用一个Redlich-Kister类型多项式方程相关为二进制系数和标准错误的评价最少平方。

简介：一系列1-[2-(2-methoxyphenylthio)本甲基]-4-arylpiperazines衍生物基于5-HT1A/SSRI药设计策略被设计并且综合。综合混合物为他们的双5-HT1A/5-HTT活动被评估。