简介：抗抑郁剂duloxetine(1)经由3-(dimethylamino)的不对称的转移加氢被准备-1-(thiophen-2-yl)propan-1-one(3)。Ru(II)，坚牢酸性蓝RH(III)和红外(III)几chiralligands的建筑群作为催化剂被检验并且(S，S)-N-tosyl-1,2-diphenyl乙烯肼(TsDPEN)Ru(II)建筑群被发现提供好产量和优秀enantioselectivity。

简介：AquantummechanicalcalculationwasperformedtostudytheTranslation-Vibration(T-V)energytransferofacolinearOH+O/OD+Osystem,forwhichDelvescoordinatesandR-matrixpropagatationmethodswereappliedtoaMulius-Blintpotentialenergysurface.ThecalculatedresultoftheT-Venergytransferprobabilityshowsstrongoscillationphenomenaandthecollisiondelaytimeofthetitlesystemwasinthe10-15—10-12stimescale.Thekineticisotopeeffectwasdiscussedinthisworktoo.

简介：IntroductionReductivedesulfurizationofthioamidestoaminesisoneofthemethodstoprepareaminesandisgenerallyachievedbya)Zninacid,b)sodiumoraluminumamal-gams,c)lithiumalumminiumhydride,d)RaneyNiande)electrolyticreduction.Thesemethodsarenotveryconvenienttobeoperatedandsomeneedmorecomplexinstrument.Hereisreportedthereductivedesulfurizationofthioamidestoaminesbycatalytichydrogentransferreaction(CHT).

简介：cytosine的tautomers和相关含水的tautomers上的AbinitioMP2和DFT研究被执行了。cytosine和相关转变状态的四tautomers的地面状态结构充分被优化。震动的频率分析在所有优化结构上被执行。详细内在的反应坐标(IRC)计算被执行保证被连接到相关tautomers的优化转变状态结构。我们为cytosine的tautomers和相关含水的tautomers获得了相对稳定性顺序。在里面孤立并且含水的条件，C(2)O(7)的契约类型和C(4)N(8)极大地影响cytosinetautomers的稳定性。而且，我们在在keto和cytosinetautomers的enol形式之间的intramolecular质子转移上探索了水分子的影响。第一个水分子显然减少为monohydratedcytosinetautomers的异构化激活精力。第二和第三个水分子什么时候在反应环被增加，被显示出异构化精力障碍仅仅有点变化。溶剂效果在孤立的cytosine的质子转移障碍上有明显的影响。然而，溶剂效果似乎为monohydrated，dihydrated和trihydratedcytosine的异构化精力障碍不足道。在这些建筑群的水分子能被看作明确的水。因此，明确的水模型可能是更可信的探索intramolecular质子转移，与是含蓄的水模型的PCM比较。

简介：EachofKeggintypeheteropolytungstosilicicandheteropolytungstogermanicacidsreactedwith8-quinolinol,p-aminodimethylanilineandpyridine,respectively,yieldingsixchargetransferheteropolycomplexes(CTHPCs),whichwerepurifiedandcharacterizedbyelementalanalysis,IR,UVand183WNMR.Theanti-HIV-1activitiesofCTHPCswereevaluatedbyELISAofHIV-P24antigen.ThetoxicityagainstMT-4cellswasmeasuredbyMTT.Theresultsshowthatmedianinhibitoryconcentration(IC50)foreachCTHPCtoinhibitHIV-P24antigenincellculturewaslowerthan5μg/mL,whilemediantoxicityconcentration(IC50)againstMT-4cellswashigherthan268μg/mL.Thefollowingmechanismsmightbeconsideredfortheiranti-HIV1activity,namely,(1)inhibitingthepenetrationofHIV-1virusintotargetcellsforitcanblockadeCD4receptorofMT-4cellsand(2)inhibitionofsyncytiumformation.

简介：trifluoromethyl的极其快的准备第三级的白酒在溶剂下面从甲基酉同类和trifluoromethyl酉同类被完成了由生气丁间醇醛反应的免费条件。反应被在周围的温度磨方法在高收益(多达95%)给-trifluoromethyl--hydroxyl酉同类面对普通的无机的底完成。

简介：根据Ａｆ－Ａｇ自由基加聚反应的数量分布函数，导出凝胶点附近的渐进分布函数和高分子矩的表示式．进一步应用标度变换，得到了描述溶胶－凝胶相变的广义标度律，从而揭示了Ａｆ－Ａｇ自由基加聚的固化反应是一个相变过程．

简介：ChiralRu-BsDPEN,(1R,2R)-N-p-benzenesulfonyl-1,2-diphenylethylenediamine,catalysthasbeenimmobilizedonamesoporousmolecularsieveofMCM-41typesuccessfully.Ahybridmesoporousmolecularsievewassynthesizedusingaprecursorbearingbenzenegroup,whichinorganosilicaweresulfonylatedandreactedwith(1R,2R)-l,2-diphenylethylenediamineand[RuC1E(p-cymene)]2successivelytoaffordimmobilizedcatalyst.TheBrunauer-Emmett-Teller(BET)surfaceareaandBarrett-Joyner-Halenda(BJH)poresizedecreasedafterimmobilizationofcatalystontothemesoporousmaterial.Enantioselectivetransferhydrogenationofketonescatalyzedbyimmobilizedcatalystshowedthehighestyieldof22.36%ande.e.valueof31.47%byusingacetophenoneassubstratewhenreactiontimewas48and16hrespectively.

简介：Theexpressedproteinswereextractedfromhumanbenignprostatichyperplastictissuesobtainedwithtransurethralresectionoftheprostatebeforeandaftertheirirradiationwithradioactivenuclide.Theproteinswereseparatedbytwo-dimensionalgelelectrophoresisandanalyzedbymassspectrometry.Fourproteinsweredifferentiallyexpressedandwereidentifiedwithadatabasesearch.ThreewereassociatedwiththeregulationofcellmotionandonewaslactatedehydrogenaseB,whichplaysanimportantroleintheprocessofcellenergymetabolismandcellstatechangesintissue.Thecomparativeproteomicanalysisindicatesthatafterirradiationwithradioactivenuclide,changesoccurinhumanbenignprostatichyperplasticcells,andassociatedproteinsareexpressed.Analysisoftheseproteinsshouldhelptoidentifythemechanisminvolvedwhenhumanprostatichyperplasiaistreatedbyirradiationwithradioactivenuclide.

简介：Theanodicdischargeofwatertoproduceadsorbedhydroxylfreeradicals(*OH)isconsideredtobeaprerequisitetoanodicO-transferreactionsataPbO2electrode.Inthiswork,amethodwasstudiedbymeansofhigh-performanceliquidchromatography(HPLC)combinedwithelectrochemicaldetection(ED)soastoinvestigatetheproductionofhydroxylfreeradicals(*OH)intheprocessoftheanodicdischargeofH2OataPbO2electrode.ThevoltammetricdataobtainedatthePbO2electrodefortheoxidationofsalicylicacidtosalicylatehydroxylationproducts(DHBAs)andthedetectionofDHBAsbymeansofHPLC-EDconfirmtheproposedmechanism.

简介：AconvenientandeffectivePaal-Knorrcondensationsof2,5-hexanedionewithmostamineshavebeencarriedoutatroomtemperatureundersolvent-freecondition.Macroporousstronglyacidicstyrolresin(D001)asanovel,efficient,cost-effective,andreusablesolidacidcatalystforthesynthesisofpyrrolesunderthesameconditions.Thepyrroleswereobtainedinhighyieldsinshortreactiontimes.

简介：

简介：Theenergyabsorbedbynorfloxacincouldbetransferredtoterbium(Ⅲ)throughchela-tionofnorfloxacinwithterbium(Ⅲ),thenthecharacteristicfluorescenceemissioncouldbeobserved.Theinteractionofserumalbuminswithnorfloxacinhavebeeninvestigatedinthispaper.TheresultsshowedthatHSAcouldinhibittheenergytransferbetweennorfloxacinandterbium(Ⅲ).But,BSAcouldnot.ItwasshownthatthebindingpropertiesofnorfloxacintoHSAandBSAweretotallydifferent.

简介：商业地可得到的guanidinehydrochloride(GuHCl)被发现了是为Mannich反应的高度有效的催化剂。当Mannich反应在没有溶剂的条件下面在房间温度被执行时，氨基的羰基混合物在合理收益被获得。

简介：Anewreaction-controlledphase-transfercatalystsystem,lacunaryKegginpolyoxotungstate[C7H7N(CH3)3]9PW9O34hasbeensynthesizedandusedforcatalyticepoxidationofolefinswithH2O2astheoxidant.Infraredspectrawereusedtoanalyzethebehaviorofthephasetransferofcatalyst.Inthissystem,thecatalystnotonlycanactashomogeneouscatalystbutalsoasheterogeneouscatalysttobeeasilyfilteredandreused.Theepoxidarionreactioniscleanandexhibitshighconversionandselectivityaswellasexcellentcatalyststability.

简介：Emissionquenchingof[Ru(bpy)2(4,4’-dcbpy)](PF6)2(1)bybenzenamine,4-[2-[5-[4-[4-dimethylamino]phenyl]-4,5-di-hydro-1-phenyl-1H-pyrazol-3-yl]-ethenyl]-N,N-dimetyl(2)or1,5-diphenyl-3-(2-phenothiazine)-2-pyrazoline(3)wasobserved.Measurementsoftheemissiondecayof1beforeandafteradditionof2or3bysinglephotoncountingtechniquecon-finnedtheobservations.Theemissionquenchingof1by2or3wassubmittedtoStern-Volmerequation.Itwascalculatedthatthequenchingrateconstants(kq)are5.5×109(mol/L)-1s-1for2and4.0×109(mol/L)-1s-1for3,respectively.Theseresultsindicatedacharacterofdynamicquenchingprocess.Thesinglet-stateof2or3wasalsoquenchedby1.ThequenchingbehaviorsdidnotconformtotheStern-Volmerequationandinvolvedbothstaticanddynamicquenchingprocesses.Theapparentquenchingrateconstant(kapp)wascalculatedtobe3×109(mol/L)-1fortheinteractionofexcited2with1,and1.2×109(mol/L)-1forthatofexcited3wit

简介：SevendiarylethersweresynthesizedwithpotassiumfluoridecoatedaluminaasastrongbaseandtheadditionofcatalyticamountofPTC.TheyieldofdiaryletherswithadditionofPTCwasmuchhigherthanthatwithoutPTC.Adiscussionofthecatalysismechanismwasgiveninthispaper.

简介：ＥＬＥＣＴＲＯＮ　ＴＲＡＮＳＦＥＲ　ＢＥＴＷＥＥＮ　Ｅｕ３＋　ＡＮＤ　Ｃｅ３＋　ＩＮ　ＳｒＭｇＦ４　ＭＡＴＲＩＸＥＬＥＣＴＲＯＮＴＲＡＮＳＦＥＲＢＥＴＷＥＥＮＥｕ３＋ＡＮＤＣｅ３＋ＩＮＳｒＭｇＦ４ＭＡＴＲＩＸ￥ＹｉｎｇＷＵ；Ｃｈ...

简介：Asimpleandeffcientmethodhasbeendevelopedforconversionofchalconeoximesto3,5-diarylisoxazolesinexcellentyieldsundersolvent-freeconditions.Thesynthesizedcompoundswerecharacterizedbyinfraredspectroscopy,1HNMR,13CNMRandHRMS.

简介：Concerningthetheoreticalestimationofinternalreorganizationenergycontributedbythetortionalmotionbetweenbiphenylandbiphenylanionradical,directcalculationofself-exchangeelectrontransferreactionwasinvestigated.Withtheintroductionofaproperaveragebondlengthandangleparameters,amultiplesteprelaxationNelsonmethodwasdevelopedtodealwiththetorsionalreorganizationenergyλt.pwithanapproximationofλt,1wasachieved.Theresultsof0.140and0.125eVoftorsionalreorganizationenergyforacross-reactionatthelevelsof4-31GandHP/DZP,respectively,areingoodagreenmentwiththevalueof0.13eVobtainedbyMilleretal.fromtheratemeasurements.ThisimpliestheefficiencyandvalidityofoourmethodtoestimatethereorganizationenergycontributedbypuretorisonalmotionofBp.