简介：1IntroductionFullerenehasreceivedconsiderableattentionandagreatresearchinginterestduetoitsuniquestructureandinterestingproperties[1-3].Manyfunctionalgroupshavebeenintroduced,oftenregion-orstereo-selectively,fortuningthephysicalpropertiesofC60andforconstructingsupramoleculararchitectures[4-6].AmongallkindsofC60derivatives,thediseoticmolecule-substitutedC60derivativesshowinterestingproperties,especially,liquidcrystalproperties.Uptonow,fewC60derivativeswithdiscotic-moleculargroupsandtheirliquidcrystalpropertieshavebeenstudied.In1996,Deschenauxetal.[7]reportedthefirstmesomorphicC60-ferrocenederivative.Tianetal.[8]synthesizedaC60-perylenederivativein2004.Nakanishietal.[9]preparedaseriesofuncommonliquidC60derivativeswith2,4,6-tris(alkyloxy)benzalgroupsin2006.Lately,Geertsetal.[10]describedthesynthesisofmesogenicphthalocyanine-C60.

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：以β2肾上腺素受体（2β-AR）为模板,采用同源模建和分子动力学模拟构建了人类α1A-肾上腺素受体（α1A-AR）的三维结构模型,并利用PROCHECK,PROSA和WHAT-IF评估了模型的合理性.所得的结构采用分子对接程序Flexidock与激动剂去甲肾上腺素和拮抗剂西罗多辛分别进行对接,结果表明,2种配基具有相似的结合位点,配体可与同源模型的氨基酸残基Asp106,Ser188和Ser192产生氢键作用,进一步证实了模型的合理性.研究结果对于基于受体的α1-AR的激动剂和拮抗剂的药物开发具有理论指导意义.

简介：一系列1,3二度(2-alkyltetrazol-5-yl)triazenes被钠亚硝酸根的处理在高收益综合了并且盐酸有substituted-5-aminotetrazoles的酸。所有混合物充分用红外光谱学被描绘，1HNMR和13CNMR光谱学和高分辨率团分光计(HRMS)。大多数这些triazenes展出与TNT可比较、低的好爆炸性能融化从81的点??????獩硯穡汯湩吗？

简介：1IntroductionInrecentyears,theeffectsofreactiveoxygenspecies(ROS)generatedinthecourseofbiologicalmetabolism,suchassuperoxide(O2-·),hydrogenpe-roxide(H2O2),hydroxyl

简介：3-(2-Hydroxyphenyl)-6-(4-nitrophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine,C16H11N5O3S,waspreparedbythecyclizationof3-(2-hydroxyphenyl)-4-amino-5-mercapto-1,2,4-triazolewith2-bromo-4-nitroacetophenone.Thecompoundwascharacterizedbymeansofelementalanalysis,IR,1HNMR,13CNMR,massspectrometry,andX-raydiffraction.ThecompoundcrystallizesinamonoclinicsystemwithspacegroupCc,a=2.1853(4)nm,b=2.1192(5)nm,c=1.3526(3)nm,β=95.21(2)°,V=6.238(2)nm3,Dcalcd.=1.505Mg/m3,Z=16,F(000)=2916,R1=0.0501,wR2=0.0427.Acomparisonbetweenthecrystalstructuresof1,2,4-triazolo[3,4-b][1,3,4]thiadiazineand1,2,4-triazolo[3,4-b][1,3,4]thiadiazolewasmadeinthestructuralview.Atwo-dimensionalnetworkisformedbyhydrogenbondsandπ-πstackinginteractions.

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：

简介：2-Phenyl-1,2,3-triazole-4-formylhydrazine(2)waspreparedbyhydrazinolysisofthecorrespondingester1.Reactionof2withCS2/KOHgavetheoxadiazolederivatives(3)whichvia,Mannichreactionwithdifferentdialkylaminesfurnished3-N,N-dialkylderivatives(4a-c).Also,condensationof2withappropriatearomaticacidinPOCl3yieldedoxadiazolederivatives(5a-c),orwithaldehydesandketonesaffordedhydrazones(6a-c).Cyclizationof(6a-c)withaceticanhydridegavethedesireddihydroxadiazolederivatives(7a-c).Ontheotherhand,reactionofdithiocarbazate(8)withhydrazinehydrategavethecorrespondingtriazolederivative(9)whichontreatmentwithcarboxylicacidsinrefluxingPOCl3yieldeds-triazole[3,4-b]-1,3,4-thiadiazolederivatives(10a-b).ThestructuresofalltheabovecompoundswereconfirmedbymeansofIR,1HNMR,MSandelementalanalysis.

简介：一新荧光灯在1,8-naphthalimide和8-hydroxyquinoline之上基于的chemosensor被综合，并且它的荧光灯性质面对不同金属阳离子(Hg2+，Ag+，Zn2+，Fe2+，Cd2+，Pb2+，Ca2+，Cu2+，Mg2+，和Ba2+)被调查。它显示了荧光与重的一些和转变金属(HTM)离子熄灭，并且强烈熄灭取决于HTM离子的性质。

简介：ThesynthesisofTs,T10andT12silsesquioxanecagesfromarangeofstartingmaterials:phenyl-cistetrol,1,3-divinyltetraethoxydisiloxaneandcyclopentylTresinsbyusingtetran-butylammoniumfluoride(TBAF)asthecatalystisdescribedinthispaper.Thereactionyieldsobtainedviathecurrentroutearebettercomparedtothoseviatheliteratureroutes.SomeofthecagecompoundshavebeencharacterizedbyX-raycrystallography.

简介：2,5-piperazinedione的新衍生物，1,4-di(2-methoxyphenyl)-2,5-piperazinedione(I)，被N-2-methoxyphenylchloroacetamide，和它的结构的cyclocondensation反应综合被元素的分析，红外，1HNMR和单身者描绘水晶X光检查衍射方法。水晶属于单斜晶的系统，有统一房间尺寸a=0.56934(10)nm的空格组P21/c，b=1.3880(2)nm，c=1.00329(17)nm，=90.376(3)?e

简介：ＩｎｔｒｏｄｕｃｔｉｏｎＩｎｒｅｃｅｎｔｙｅａｒｓ，Ｌａｎｇｍｕｉｒ－Ｂｌｏｄｇｅｔ（ＬＢ）ｆｉｌｍｓｈａｖｅａｔｒａｃｔｅｄｍｕｃｈａｔｅｎｔｉｏｎｂｅｃａｕｓｅｏｆｔｈｅｉｒｐｏｓｉｂｉｌｉｔｉｅｓａｓｆｕｎｃｔｉｏｎａｌｍｏｌｅｃｕｌａｒｄｅｖ...

简介：Afacileandconvenientsynthesismethodhasbeendevelopedforsubstitutedquinoxalinesand2H-benzo[b][1,4]oxazinesfromthereactionsofα-bromoketoneswithbenzene-1,2-diamineand2-aminophenol,respectively,whichwerecatalyzedbytetrabutylammoniumbromide(TBAB)inaqueousbasicmedia.

简介：DensityFunetionalTheory(DFT)methodwasusedinthispapertostudyone-carbontransferfrom1.10-tetrahydroquinoxalinc,ananalogucoftetrahydrofolicaeid,tomethylamine.Thisreaetioncanbecompletedviatwopaths.Fromthecomputationresultwecanconcludethaiageneral-aeidcatalysisexistsinthisreaction.BycomputationwefindDFThasitslimitationindeseribinganewlyincorporatedstructurewithaunitcharge.

简介：Anon-linearoptical(NLO)materialwassynthesizedbymeansofasimplemethod.Thismaterialcanbeappliedinelectro-optical(EO)devices,suchasEOswitchesandmodulators.TheDisperseRed1(DR1)wasdopedinpolymethyl-methacrylate-co-glycidylmethacrylate(PMMA-co-GMA)astheNLOactivechromophore.Thesynthesisprocessandmaterialstructurewereexpressed.Thethermalproperties,surfacemorphologyandopticalcharacteristicsofthematerialwereinvestigatedbymeansofdifferentialscanningcalorimetry(DSC),thermogravimetricanalysis(TGA),atomicforcemicroscopy(AFM),andm-linestechnique.Usingthereflectiontechnique,thevalueoftheelectro-opticalcoefficientγ33wasmeasuredas11pm/Vatawavelengthof1310nm.AnEOswitchwithnanosecondresponsebasedonthismaterialhasbeenfabricated.

简介：DeoxybaccatinⅥ(4α,7β,9α,10β,13α-penta-acetoxy-2α-benzoyloxy-5β,20-epoxytax-11-ene)wasisolatedfromtherootsofTaxuschinensis,Rehd.var.mairei.Thestructuralassignmentsofthecompoundwerebasedontheirspectraldata,including2DNMRexperimentsandchemicalcorrelation.TheX-raycrystallographicanalysisof1-deoxybaccatinⅥprovidedunambiguouscharacterizationforthestructures.Inthestructure,thesix-memberedAringexhibitsboatconformation,theeight-memberedBringadoptsboat-chairconformation,andthesix-memberedCringexhibitsasofaconformation.

简介：WiththedecreaseofpHvaluefrom8.45to–1.0,theUV-Visabsorptionandfluorescentspectraof1,2-bis(4-pyridyl)ethylene(BPE)tookonthesamechangingtrendatfourdifferentsuccessivepHstages:8.45―7.20,7.20―5.62,5.62―2.60,and2.60―-1.0,namely,nochange,decrease,increase,anddecreaseagain.Amongthese,inarangeof7.20―5.62,thefluorescencewavelengthblueshiftedfrom418to359nm,buttheUV-Visabsorptionwavelength,incontrast,redshiftedfrom285to298nm.ThefluorescenceintensityofBPEhadadropeventoquenchuponadeclineinthepHvaluefrom2.60to–1.0probablyowingtoitscation-πinteractiontoreducetheπelectronclouddensityofBPE.Twodissociationconstants,pKa1(4.30±0.01)andpKa2(5.65±0.04),wereobtainedbasedonfluorescencedata.ThechangesoffluorescencespectraindicatethatBPEhas'off-on-off'switchbehavior.ThefluorescentspectraofBPEwerenearlyindependentonthepresenceofα-andβ-cyclodextrins.

简介：

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