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70 个结果
  • 简介:6/3-(4-Chlorophenyl)-s-triazolo[3,4-b][1,3,4]thiadiazoles(2a-e)and(5a-e)weresynthesizedrespectivelybyintermolecularcyclizationof5-aryl/4-chlorophenyl-4-amino-3-mercapto-1,2,4-triazoles(1a-e)and(4)with4-chlorobenzoicacid/arylacids,whichwerecondensedwithpiperazineunderphasetransfercatalystTBABtoyieldthecorrespondingfreebasesofmonopiperazinederivativesandfollowedtoformwater-solublesalts(3a-e)and(6a-e)withhydrochloricacidingoodyields.Theinvitrobiologicalresultsshowedthatpiperazinegroupconjugatedwiththeabovefusedheterocyclesplayedanimportantroleinantibacterialactivity.ThestructuresofnovelcompoundswereconfirmedbyIR,1HNMR,MSandelementalanalysis.

  • 标签: 哌嗪 相转移 可溶性 抗菌活性 催化合成 药物
  • 简介:FiveC3/C3fluoroquinolonedimerstetheredwithafusedheterocyclicringofs-triazolo[2,1-b][1,3,4]thiadiazolederivedfromantibacterialquinolonesweresynthesizedandcharacterized,andtheirinvitroantitumoractivityagainstL1210,CHOcelllineswasevaluatedviatherespectiveIC50values.

  • 标签: EVALUATION synthesized and characterized ANTITUMOR activity
  • 简介:神经生长禁止的因素(GIF),metallothionein家庭的一个成员(metallothionein-3,MT3),由它的不同神经生长众所周知禁止的活动,它没被另外的MTisoforms显示出。到现在为止,然而,人们仍然不清楚地知道GIF怎么施加它的生物功能。因为GIF力量用作没有scavenger,这被报导了并且与锌的版本有关,我们的学习被与没有施主的SNOCa类型学习人的GIF和人的MT1g的反应集中于GIF和号码的相互作用,GIF是比向SNOC的MT-1g更反应的,这被发现。为了进一步弄明白,如果在这反应的GIF的高反应源于酸硷的催化作用,几异种被构造:E23K,E41G/E43A,E23K/E41G/E43A。由向SNOC学习他们的基本性质和反应,GIF的S-nitrosylation与酸硷的催化作用有关,这被发现不仅,而且到metal-thiolate簇的可接近性。

  • 标签: 人体 生长抑制因素 催化剂 疾病 GIF
  • 简介:INthepreviouspapersoftheauthor’s,theelementaryreactionoperatorconcerningpointgroupwasdiscussed.Inthispaper,morecomplexreactionoperatorswillbeanalysed.Byusingtheskillinreactionoperator,theelectrocyclicandcy-cloadditionreactionsareillustrated.

  • 标签:
  • 简介:Baker'syeastmediatedreductionofopticallyactivediketoneisdescribed.Thetwoketogroupsareefficientlydifferentiatedandtheeevalueoftherecoveredmaterialisconsiderablyraised.Itaffordshighlyopticallyactivekeyintermediatesefficientlyforthesynthesisofnaturalpolyhydroxylatedagarofuranproducts.

  • 标签: 酵母 沉香呋喃 倍半萜 简化
  • 简介:NaphtholgreenBwasused,forthefirsttime,asanewmediatorinanamperometricglucosebiosensor.Itisagoodmediator,promotingelectrontransferfromglucoseoxidasetographiteelectrode.Thebiosensorshowshighsensitivitytoglucoseatlowpotentialwithresponsetimeof30seconds.Thelinearrangeisfrom1.5to18μmol/Lglucosewithdetectionlimitof0.5μmol/Lglucose.

  • 标签: 萘酚绿B 介体 葡糖氧化酶 生物传感器
  • 简介:到HOCN的HNCO的反应,到HSCN的HNCS和到HSeCN的HNCSe在MP2/6-311++G被学习了(2df,pd)//B3LYP/6-311++G(2df,pd)水平。反应物,转变状态和产品的几何学被优化了,转变状态的几何学第一次被报导。HNCO和HNCS容易被检测而不是HOCN和HSCN的原因被解释了。HNCSe将更容易比HSeCN被检测,这被预言。在反应的化学契约的破裂和形成被电子密度的拓扑的分析方法讨论了。在反应有二种结构转变状态(圣)的计算结果表演学习了。

  • 标签: 分子结构 原子结构 原子物理 能级
  • 简介:二新自然杂环的混合物bretschneiderazinesA(2)和B(3)的灵巧的合成,从Bretschneiderasinensis的茎的一篇摘录孤立,被报导。我们作为关键步骤与硫和光气由指导lithiation和顺序的处理采用了benzamide的环合反应。所有新混合物充分借助于红外,1HNMR,13CNMR,和HRMS被描绘了。

  • 标签: 杂环化合物 全合成 简便合成 环化反应 红外特征 新化合物
  • 简介:Achiralrutheniumcomplex[(1S,2S)-DPEN]-RuCl_2(PPh_3)_2(DPEN=1,2-diphenylethylenediamine,PPh_3=triphenylphosphine)wasencapsulatedinthechannelofAl-MCM-41byelectrostaticadsorptionand1,1-dichlorosilacyclobutanemodification.Thepreparedheterogeneouscatalystshowedthesamecatalyticactivityandenantioselectivityasthecorrespondinghomogeneouscatalystintheasymmetrichydrogenationofacetophenone,andcouldbereusedatleastseventimeswithoutsignificantlossofcatalyticactivityandenantioselectivity.

  • 标签: 苯乙酮 MCM 不对称氢化 Al 封装 非均相催化剂
  • 简介:AbinitiomolecularorbitalcalculationsofdoublynegativechargedB16H162-(D2)andneutralB16H16(Td)havebeendoneattheHF/6-31Glevel.TheyarepredictedtobechemicallyandkineticallystablebyvibrationalanalysesontheirrespectiveenergyhypersurfaceoftheHF/6-31Glevel.ThegeometricalstructureofthespeciesB16H1622-(D2)wasdiscussed.

  • 标签: Closo BORON hydrides ab INITIO MOLECULAR
  • 简介:采用密度泛函理论的B3LYP方法、从头算的MP2方法和自洽反应场极化连续模型(PCM),在6-311++G(2d,2p)基组水平上研究了N,N’-二甲基-S-异苯并呋喃在气相和溶液中发生S→N烷基重排反应的机理、溶剂效应和取代基效应.结果表明:该反应通过四元环机理和双位迁移机理生成产物,在气相和溶剂水中,双位迁移途径的能垒均比四元环途径低,反应主要通过双位迁移途径生成产物.在气相,苯环上发生-Cl,-NO2和-OCH3取代时,双位迁移途径的能垒在MP2/6-311++G(2d,2p)水平上比没有取代时分别低4.18,7.61,4.96kJ/mol,反应的取代基效应不明显.而在溶剂水中,苯环上发生-Cl,-NO2和-OCH3取代时,双位迁移途径的能垒在PCM-MP2/6-311++G(2d,2p)水平上比气相时分别低37.73,39.96和37.17kJ/mol,反应的溶剂化效应非常明显.理论研究结果与实验观察结果一致.

  • 标签: N N’-二甲基-S-异苯并呋喃 S→N烷基重排 溶剂化效应 反应机理 密度泛函理论
  • 简介:FluorescencequenchingofjanusgreenB(JGB)insodiumdodecylsulfate(SDS)micellebynucleicacids(DNA)wasstudiedusingUV-visabsorption,steadystatefluorescenceemissionmethodsandlifetimemeasurements.IntheSDSmicelle,weakfluorescenceofJGBwasenhanced,andthemaximumemissionshiftedfrom425to410nm.InthepresenceofDNA,thefluorescenceofJGBwasquenched.Linearrelationshipsbetweenthefluorescencequenching(F0/F)andconcentrationsofDNAwereobservedintherangeof2.4×10^-8to1.08×10^-7mol·L^-1forcalfthymusnucleicacids(ctDNA)and1.9×10^-8to3.8×10^-8mol·L-1forfishspermnucleicacids(fsDNA)when2.5×10^-5mol·L^-1JGBwasemployed.Thelimitdetectionwere1.3×10^-8mol·L^-1forctDNAand6.4×10^-9mol·L^-1forfsDNA.AthighDNAconcentration,therewasasystematicdeviationfromtheStem-Volmerequationduetothestaticanddynamicquenchingoccurringsimultaneously.TheproposedmethodwasappliedtothedeterminationofthenucleicacidsinchickenbloodextractionandtheanalyticalresultswereingoodagreementwiththeUV-method.

  • 标签: 核酸 探测器 DNA 生物技术 烟鲁绿B 十二烷基硫酸钠
  • 简介:在G3(MP2)//B3LYP/6—311+G(d,p)水平上,对CH3S自由基与CO气相反应的微观机理进行了理论研究.结果表明:该反应共存在3个反应通道,产物分别为CH3+OCS,CH2S+HCO和CH2S+HOC.由于形成产物CH3+OCS的活化势垒较低,因此为主要反应通道,这与实验观察到的结果是一致的.

  • 标签: CH3S CO 理论研究 反应机理
  • 简介:Bothenantiomersoffluoxetineweresynthesizedinfivestepsfromethylbenzoylacetate(1)usingmicrobial-chemicalapproachwithoverallyieldsof59%and62%respectively.(S)-Enan-tiomercanbeobtainedin>99%e.e.byrestingcellofbaker’syeastandtheRformwasproducedin81%e.e.byimmobilizedGeotrichumsp.G38.

  • 标签: microbial YEAST GEOTRICHUM RESTING ASYMMETRIC steps
  • 简介:FournewtaxanediterpenoidswereisolatedfromthebarkofTaxusyunnanensis.Theirstructureswereelucidatedasthenewskeletonwith5/7/6/4memberedringsbyspectralanalysisand2DNMRshiftcorrelationexperiments.

  • 标签: skeleton membered TAXUS BENZOYL belongs fused
  • 简介:IntroductionInthepastseveralyears,muchresearchworkhasbeendoneforthesynthesisofC-fusedbicyclo-β-lactamcompoundsandaconcise“DoubleAnnulation”procedurehasbeendeveloped.Theβ-lactamringisformedbytheclassicalStaudingerreaction[1—3]betweenα-(alkylthio)acylchlorideandanequivalentα,β-unsaturatedimine.Thesulfurringissubsequentlyfusedontotheβ-lactamunitbymeansofahalogen-promotedheterocyclizationprocess[4—6].ThisprocedurewasappliedtothesynthesisofpenemasillustratedinFig.1.TheobtainedX-penemsareakindofimportantintermediatesforsynthesizingaseriesofβ-lactamcompounds,forexample,theyarecarboxylatedbycouplingreactionsontheCatomwhichislinkedtohalagen,formingpenem[7].Animportantpurposeintheresearchfieldistoprobeintonewβ-lactammedicines.

  • 标签: β-Lactam S-heterocyclization Br-penem Cl-penem