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：Theground-stateandthermodynamicpropertiesofquantummixed-spinchainsof1/2-1/2-1-1and3/2-3/2-1-1areinvestigatedbyaquantumMonteCarlosimulationwiththeloop-clusteralgorithm.For1/2-1/2-1-1chain,wefindithastwophasesseparatedbyanenergy-gapvanishingpointintheground-state.For3/2-3/2-1-1chain,thenumericalresultsshowtwoenergy-gapvanishingpointsisolatedbydifferentphasesinitsground-state.Ourcalculationsindicatethatallthesegroundstatephasescanbeunderstoodbymeansofvalence-bond-solidpicture,andthethermodynamicbehavioratfinitetemperaturesiscontinuousasafunctionofparameterα=J2/J1.
简介：Inthispaper,thetwo-dimensionalMarcinkewiczintegralintroducedbySteinμ（f）（x）=(∫0x|∫|x-y|≤1|x-y|Ω（x-y）f（y）dy|2t-3dt)2isshowntobeofweaktype（1,1）andweightedweaktype（1,1）withrespecttopowerweight|x|"if-1<α<0,whereΩishomogeneousofdegree0.hasmeanvalue0andbelongstoLlog+L（S1）.
简介：在实自反Banach空间中,证明了强增生型变分包含解的具有误差项的Ishikawa迭代程序的一些新的收敛性和稳定性定理.所得结果改进、推广和发展了一些作者早期与最近的相关结果.
简介：研究了68个TR（ThyroidHormoneReceptor，甲状腺激素受体）配体化合物的化学结构与活性的定量构效关系．采用实验室新近提出的三维原子场全息相互作用矢量，对化合物进行了结构参数化表达，采用逐步回归对变量进行筛选后，建立了定量构效关系模型．复相关系数和交互检验复相关系数R^2=0．767，Q^2=0．625（TRα），R^2=0．734，Q^2=0．61（TRβ）．模型具有良好的稳定性和预测能力，证明了该三维原子场全息相互作用矢量在分子结构表征和生物活性预测上的适用性，并可应用于潜在和新型的TR配体化合物的设计和开发．
简介：Thereactionof1-phenyl-3-methyl-4-benzoyl-2,5-dihydro-1H-pyrazol-5-one(PMBP)andmethyldithiocarbazate(mdtc)inmethanolresultsinformationofayellowcrystallinesolid,adductof1-phenyl-3-methyl-4benzoyl-2,5-dihydro-lH-pyrazol-5-oneandmethyldithiocarbazate.Whentheyellowsolidsweredissolvedinamixtureofmethanolandether(1:4),aredcrystal,whichisanoxidationproductoftheformer,wasobtainedbyallowingsolventtoevaporateforafewdaysatroomtemperature.TheX-rayanalysisoftheredcrystalindicatesthatitisanoveldisulfidewithaspecialstructurelikea“U”conformationinthesolidstate.
简介：In2014,theresearchersofTheoreticalPhysicsGroupatIMPhavecarriedouttheirresearchworkonnuclearphysics,heavyionphysicsandhadronphysics.Someimportantresultshavebeenobtained.Thethree-bodyforce(TBF)effectontheoff-shellbehavioroftheneutronandprotonmassoperatorsinasymmetricuclearmatterhasbeeninvestigatedwithintheframeworkoftheextendedBrueckner-Hartree-Fockapproach[1].Athighdensitieswellabovethenormalnuclearmatterdensity,theTBFisshowntoaffectsignificantlytheoff-shellehaviorofboththeprotonandneutronmassoperators.Thedensitydependenceofsymmetryenergyaroundtheuclearsaturationdensityhasbeenstudied[2].Anewapproachhasbeenproposedandappliedtodeterminetheymmetryenergycoefficientofheavynucleibasedontheavailableexperimentalnuclearmassesofheavynuclei.Theobtainedresultisadoptedtoanalyzethedensitydependenceofsymmetryenergyofnuclearmatteraroundtheaturationdensity.TheslopeparameteratthesaturationdensityisdeterminedtobeL=(50.515.5)MeV.
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![方程x＋<b style='color:red'>1</b>=xnexp[rn<b style='color:red'>1</b>—xn／<b style='color:red'>1</b>—λx^n]的全局吸引<b style='color:red'>性</b>](/image/thesis1 "方程x＋<b style='color:red'>1</b>=xnexp[rn<b style='color:red'>1</b>—xn／<b style='color:red'>1</b>—λx^n]的全局吸引<b style='color:red'>性</b>")
![Crystal Structure of Bis{<b style='color:red'>1</b>-methylthio-<b style='color:red'>1</b>-[<b style='color:red'>1</b>-phenyl-<b style='color:red'>1</b>-（<b style='color:red'>1</b>-phenyl3-methyl-5-oxo-4,5-dihydropyrazol-4-ylene）-methylamino]iminomethyl} Disulfide with the “U” Conformation](/image/thesis18 "Crystal Structure of Bis{<b style='color:red'>1</b>-methylthio-<b style='color:red'>1</b>-[<b style='color:red'>1</b>-phenyl-<b style='color:red'>1</b>-（<b style='color:red'>1</b>-phenyl3-methyl-5-oxo-4,5-dihydropyrazol-4-ylene）-methylamino]iminomethyl} Disulfide with the “U” Conformation")
