简介：Aseriesofnovel1H-benzimidazol-1-ylacetatesand1H-benzimidazol-1-ylpropionatescontaining1H-1,2,4-triazolemoietyweresynthesizedundermicrowaveirradiationbymulti-stepreactions,inyieldsof87-94%.TheirinvitroantifungalactivitiesagainstBotrytiscinereaandSclerotiniasclerotiorumwereevaluatedbymycelialgrowthratemethod.AllthetargetcompoundsexhibithighactivitiesagainstB.cinereawiththeEC50valuesof7.96-21.74μg/mL,higherthanthatofcarbendazim.

简介：一系列新奇1,3,4-thiadiazole衍生物被CCK-8试金对人的肝癌症房间SSMC-7721，人的乳癌房间MCF-7和人的肺癌症房间A549在vitro为他们的cytotoxicity基于benzisoselenazolone综合并且评估。结果证明混合物7e，7f，7h，7k，7l和7m对MCF-7房间线显示了好cytotoxicity。复合7l在测试混合物之中展出了大多数有势力antitumor活动。

简介：

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：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：Asupramolecular1Dferromagneticsystemwasstudiedexperimentallyaswellastheoretically.Hybriddensityfunctionaltheory(DFT)calculationswerebasedontheX-rayanalysis.TheresultsofDFTcalculationsandMcConnellmechanismhavecontributedtotheunderstandingofthefactorsgoverningtheexchangecouplingofmagnetisminthecrystalpacking.Boththeexperimentalevidenceandtheoreticalcalculationindicatethatspindensityin2-iodonitronylnitroxide(INN)radicalsconfirms1Dferromagneticchainwithinter-chainantiferromagneticinteraction.

简介：应用分子力学、半经验量子化学RM1方法优化了32个抗野生型HIV-1病毒毒株的二芳基嘧啶类（DAPYs）化合物分子结构，从分子构象模型中提取了多种参数并结合疏水性参数与指示性参数建立QSAR多元线性回归方程．回归方程显示：分子体积V的增大会降低其抑制活性，而左苯环与嘧啶环间二面角日增大可以提高抑制活性．同时指示性参数工表明左苯环CN基团加入可以明显增加抑制活性，嘧啶环上R1位置苯基与硝基的加入可以极大降低抑制活性．

简介：Poly(4-vinylpyridine)supportednanoparticleofcopper(Ⅰ)iodideisreportedasagreenandrecyclablecatalystfortheregioselectivesynthesisof1,4-disubstituted-1H-1,2,3-triazolesfrombenzylhalides,sodiumazideandterminalalkynesinwater.Thiscatalystcanberecoveredbysimplefiltrationandrecycledupto8consecutiverunswithoutanylossofitsefficiency.