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: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.
简介:采用荧光光谱法研究了水溶液中四溴荧光素、四氯四溴荧光素、二碘荧光素、乙基罗丹明B、健那绿B等5种荧光染料探针与牛血清白蛋白(BSA)的相互作用.实验表明,这5种染料探针同牛血清白蛋白结合时,疏水作用力起决定性作用,静电力起次要作用,相比之下牛血清白蛋白(BSA)结合阴离子的能力最强,其次为中性分子,最后为阳离子.通过疏水作用力,5种染料均是以非极性苯基进入BSA疏水性腔体中同色氨酸残基发生作用,弱氢键的形成加强了这种作用力,且使得光谱间能量转移效率明显提高.5种染料探针的极性部位由于极性和空间效应的原因难以进入腔体内部,致使反应均按接近1∶1的方式进行.