简介：建立糖原合成激酶-3β（GSK-3β）抑制剂的三维构效关系,可预测新的糖原合成激酶-3β抑制剂.通过确定分子的药效构象,与选定的模板分子进行叠合,采用比较分子力场分析法（CoMFA）和比较分子相似性指数分析法（CoMSIA）分别建立38个糖原合成激酶-3β抑制剂的3D-QSAR模型.比较分子力场分析法所建立的模型的决定系数q2=0.711,非交叉验证系数r2=0.887,标准偏差ES=0.411,显著系数F=109.856;比较分子相似性指数分析法所建立模型的决定系数q2=0.605,非交叉验证系数r2=0.931,标准偏差ES=0.326,显著系数F=122.122.该模型在一定程度上反映了结合部位的性质要求,解释马来酰胺类抑制剂的构效关系,具有较好的预测能力.

简介：有1-butyl-3-methylimidazoliumtribromide的酚和激活的aromatics的反应[(Bmim)Br3]有选择地在没有溶剂的条件下面交上相应monobromination产品优秀收益。

简介：Rare-earthcompoundsolidsuperacidSO42-/TiO2/La3+wasprepared.Itscatalyticactivitywasexaminedunderdifferentsyntheticconditionsfortheesterificationofpropanoicacidandn-butylalcoholasprobingreaction.Theoptimumconditionswerealsofound,whichwerethepH=8,thedepositingtimewas24h,themassfractionofLa(NO3)3usedinsolidsuperacidwas5%,theconcentrationofH2SO4was1.25mol/L,thesoakingtimeinH2SO4was16handthecalciningtemperaturewas500°C.TheethyloleatewassynthesizedfromoleicacidandethanolinthepresenceofSO42-/TiO2/La3+.Theoptimumreactionconditionswereobtainedwhichwerethereactiontimewas6h,molarratioofoleicacidtoethanolwas1:4andthemassfractionofcatalystwas4%.

简介：Afacilegreenlow-costcontrollablehydrothermal-thermalconversion(HTC)processfortheuniformhighaspectratioCaSiO3nanowireshasbeendevelopedusingabundantCaCl2·2H2OandNa2SiO3·9H2Oasrawmaterialswithoutanyorganicadditive.Thenanowiresexhibitedatransparentcharacteristicfromtheultraviolettovisibleregion,andtheCaSiO3:1.2%Tb3+nanophosphorswithwellpreserved1DmorphologydemonstratedstronggreenluminescencewithCIEcoordinatesof(x=0.3144,y=0.5912).Thepresentworkdefinitelyrevealsthenanowiresasapromisingstructureandfunctionintegratedhostcandidateforgreen-emittingluminescentmaterialsinlightdisplaysystemsandoptoelectronicdevices.

简介：研究了Fe3＋-金橙G（OG）体系的共振光散射光谱,发现Fe3＋对OG的共振光散射有增强效应。进一步研究发现,其增强值（△I）与加入Fe3＋的质量浓度呈线性关系,对条件进行了优化,并建立了一种测定Fe3＋的新方法,方法的线性范围为0.028～1.00μg/mL,检出限为0.009μg/mL,用于水样中痕量Fe3＋的测定,结果满意。

简介：为isoxazolo的合成的一个快速、有效的方法[5,4-d]pyrimidin-4(5H)在与固体的常规加热和没有溶剂的微波照耀下面与orthoesters通过5-aminoisoxazole-4-carboxamides的出租机动三轮车冷凝作用被开发了酸催化。在比较，反应更快，收益在微波照耀下面是更高的。

简介：新奇pyridopyrazolopyrimidinone衍生物作为潜在的PDE5禁止者被设计并且综合。目标混合物比sildenafil对人的血小板PDE5，而是更少的有势力表明了重要禁止的活动。

简介：Anefficientsynthesisoffunctionalized4H-chromenesbythetandemreactionofb,g-unsaturatedaketoesterswith2-naphthols,1-naphthols,and1,3-dihydroxynaphthaleneshasbeenaccomplishedwithhighselectivityandexcellentyieldsinthepresenceofacatalyticamountofbismuthtriflate[Bi(OTf)3,5mol%]undermildconditions.Thefunctionalized4H-chromenesynthesisandourprevious2Hchromenehemiacetalsynthesiscouldcomplementeachothertoenrichreactiondiversity.

简介：有核心壳的合成nanoparticles组织的Cross-linked-cyclodextrinpolymer/Fe3O4在carboxymethyl-cyclodextrin的表面上经由生气连接反应被准备(厘米--CD)在-cyclodextrin的修改Fe3O4nanoparticles由把epichlorohydrin用作crosslinking的碱的答案代理人。准备合成nanoparticles的形态学，结构和磁性被传播电子显微镜学(TEM)调查，Fourier变换红外线(FTIR)spectrometry，X光检查衍射(XRD)测量，thermogravimetric分析(TGA)和颤动的样品magnetometry(VSM)分别地。

简介：

简介：有壳核心结构的polystyrene/Fe3O4的合成nanoparticles在三重氢核X-100和SDBS的混合系统被准备。合成nanoparticles的壳被Fe3O4nanoparticles被聚苯乙烯和核心形成。Fe3O4nanoparticles的直径是大约10nm和合成nanoparticles25-35nm的。XRD系列和FTIR系列证明与Fe3O4nanoparticles聚苯乙烯包是成功的。

简介：

简介：利用室温液相还原、晶种生长的方法,成功的制备了大小形貌均一、性能稳定且具有磁性的Fe3O4@Cu2O复合纳米粒子,并且对制备的Fe3O4@Cu2O纳米粒子进行了光催化性能的研究.在以紫外光为光源的照射下,合成的Fe3O4@Cu2O纳米粒子对有机染料甲基蓝溶液起到很好的降解作用.更重要的是,在外加磁场的作用下,Fe3O4@Cu2O纳米粒子容易回收,具有良好的可循环利用性能.

简介：利用量子化学从头计算法ＲＨＦ／４３１Ｇ基组对氢氰酸硼氢化反应中的电子行为和轨道对称性进行了讨论．结果表明：在氢氰酸硼氢化反应中，从表面上看是对称性禁阻的“类四中心”过渡态，实质上是对称性允许的两组四中心三轨道相互作用．

简介：

简介：Thecrystalandmolecularstructuresof[(C3H7O)2PS2]2(CCDCNo.217201)weredeterminedbymeansofX-raycrystallography.ItcrystallizedinatriclinicsystemwithspacegroupP1^-andlatticeparametersa=0.82794(3)nm,b=0.84764(2)nm,c=0.85034(3)nm,α=97.78(3)°β=110.77(3)°,γ=94.95(3)°,V=0.54701(9)nm^3,Z=1.Inthismolecule,thetwodiisopropyldithiophosphategroups,[(C3H7O)2PS2]2,whichareparalleltoeachother,arelinkedbyanS--Sbondandthereexistinversioncentersinthemolecule,Inthestructure,theP=Sbondsinthetwodithiophosphateunitsaretrans-orientedtoeachother.

简介：AbinitiomolecularorbitalcalculationsofdoublynegativechargedB16H162-(D2)andneutralB16H16(Td)havebeendoneattheHF/6-31Glevel.TheyarepredictedtobechemicallyandkineticallystablebyvibrationalanalysesontheirrespectiveenergyhypersurfaceoftheHF/6-31Glevel.ThegeometricalstructureofthespeciesB16H1622-(D2)wasdiscussed.

简介：AseriesofmesoporousCu-Mn-Al2O3(CMA)materialswassynthesizedatmoderatetemperatureandtheirstructureswerecharacterizedbyXRD,N2physicaladsorptionandTPRtechniques.Itwasfoundthatusingmetalcomplexion[Cu(NH3)42+-Mn(NH3)62+]asrawmaterialsiseasiertoformgood-structuremesoporousCu-Mn-Al2O3materialsthanusingitsnitratesalt[Cu(NO3)2-Mn(NO3)2].TheTPRtestsresultsindicatethatCuOandMnOxwerehomogeneouslydispersedinthemesoporousmaterials.TheircatalyticapplicationtopreferentialcatalyticoxidationofCOinahydrogen-richstreamwasstudied.TheactivityvariesintheorderofCMA(1:1,molarratio)>CMA(1:2)>CMA(2:1)>CMA(CP)>CMA(1:0)≈CMA(0:1).TheCMA(1:0)andCMA(0:1)haveloweractivitycomparedtoothersamples,implyingthatthereexistedcoordinationeffectbetweenCu-Mninthesamples.TheselectivityvariedintheorderofCMA(0:1)≥CMA(1:2)>CMA(1:1)>CMA(2:1)>CMA(1:0)athighertemperature(≥120°C),indicatingthatincreasingtheCucontentenhancedtheconversionofH2.ThesampleCMA(CP)madebycoprecipitationmethodhasalowerCOoxidationactivityandselectivitythanitscounter-partsofmesoporousCu-Mn-Al2O3materials[CMA(1:2)],thisattributedtothelowersurfaceareaoftheformerandpoorinteractionofCuOwithMnOx.

简介：利用电介质的平均能带模型计算了PrBa2Cu3O7的化学键参数，得到Cu(1)-O键的人价性为0．41，Cu(2)－O键的平均共价性为0．28，应用由共价性和要化率定义的化学环境因子计算了^57Fe在PrBa2Cu3O7中的Mossbauer同质异能位移，确定了^57Fe在PrBa2Cu3O7中的价态和占位情况。

简介：Wehavesuccessfullysynthesized1-(2′-Phenyl)cycloproply1-2,3-epoxypropan-1-ol3,whichwillbeappliedtothekineticsstudyofoxiranylcarbinylradical.