学科分类
/ 4
64 个结果
  • 简介:At-hyperwheel(t≥3)oflengthl(orW(t)lforbrevity)isat-uniformhypergraph(V,E),whereE={e1,e2,...,el}andv1,v2,...,vlaredistinctverticesofV=∪eii=1lsuchthatfori=1,...,l,vi,vi+1∈eiandei∩ej=P,j∈/{i1,i,i+1},wheretheoperationonthesubscriptsismodulolandPisavertexofVwhichisdifferentfromvi,1≤i≤l.Inthispaper,theminimumcoveringproblemofMCλ(3,W(3)4,v)isinvestigated.DirectandrecursiveconstructionsonMCλ(3,W(3)4,v)arepresented.Thecoveringnumbercλ(3,W(3)4,v)isfinallydeterminedforanypositiveintegersv≥5andλ.

  • 标签: 最小覆盖问题 一致超图 递归结构 Tgt 直接和 覆盖数
  • 简介:DrugsSPD-304(6,7-dimethyl-3-{[methyl-(2-{methyl-[1-(3-trifluoromethyl-phenyl)-1H-indol-3-ylmethyl]-amino}-ethyl)-amino]-methyl}-chromen-4-one)andzafirlukastcontainacommonstructuralelementof3-substitutedindolemoietywhichcloselyrelatestoadehydrogenatedreactioncatalyzedbycytochromeP450s(CYPs).ItwasreportedthatthedehydrogenationcanproduceareactiveelectrophilicintermediatewhichcausetoxicitiesandinactivateCYPs.DrugL-745,870(3-{[4-(4-chlorophenyl)piperazin-1-yl]-methyl}-1H-pyrrolo2,3-β-pyridine)mighthavesimilareffectsinceitcontainsthesamestructuralelement.Weusedmoleculardockingapproachcombinedwithmoleculardynamics(MD)simulationtomodelthree-dimensional(3D)complexstructuresofSPD-304,zafirlukastandL-745,870intoCYP3A4,respectively.Theresultsshowthatthesethreedrugscanstablybindintotheactivesiteandthe3-methylenecarbonsofthedrugskeepareasonablereactivedistancefromthehemeiron.ThecomplexstructureofSPD-304-CYP3A4isinagreementwithexperimentaldata.Forzafirlukast,thecalculationresultsindicatethat3-methylenecarbonmightbethedehydrogenationreactionsite.DockingmodelofL-745,870-CYP3A4showsapotentialpossibilityofL-745,870dehydrogenatedbyCYP3A4at3-methylenecarbonwhichisinagreementwithexperimentinvivo.Inaddition,residuesinthephenylalanineclusteraswellasS119andR212playacriticalroleintheligandsbindingbasedonourcalculations.ThedockingmodelscouldprovidesomecluestounderstandthemetabolicmechanismofthedrugsbyCYP3A4.

  • 标签: 分子对接 甲基吲哚 药物 细胞色素P450 脱氢反应 结构元素
  • 简介:以化学沉淀法制备单相的铕离子掺杂硼铝酸盐红色荧光粉YAl3(BO3)4:Eu3+,考察了焙烧温度、掺铕量等因素对材料性能的影响,用X射线衍射、扫描电镜、激发光谱和发射光谱对荧光粉的结构、形貌和发光性能进行了表征.以尿素为沉淀剂,900℃焙烧沉淀前驱体可得到单相荧光粉YAl3(BO3)4:Eu3+,反应温度比传统高温固相法降低了300℃;沉淀法制备的荧光粉粒径分布范围小,无团聚现象,粒径约300nm.掺铕量为10%(物质的量比)时发光强度最大.在260nIn的紫外光激发下,Eu3+的5D0→F72的电偶极跃迁最强,发射光为618nm的红光.

  • 标签: 稀土 发光性 沉淀法 荧光粉 YAl3(BO3)4
  • 简介:TheauthorsmainlyconcernthesetUfofc∈Csuchthatthepowerdeformationzf(z)/zcisunivalentintheunitdisk|z|<1foragivenanalyticunivalentfunctionf(z)=z+a2z2+···intheunitdisk.ItisshownthatUfisacompact,polynomiallyconvexsubsetofthecomplexplaneCunlessfistheidentityfunction.Inparticular,theinteriorofUfissimplyconnected.Thisfactenablesustoapplyvariousversionsoftheλ-lemmafortheholomorphicfamilyzf(z)/zcofinjectionsparametrizedovertheinteriorofUf.ThenecessaryorsufficientconditionsforUftocontain0or1asaninteriorpointarealsogiven.

  • 标签: 动力变形 单叶函数 单位圆 凸子集 多项式 复平面
  • 简介:旗传递t-设计的分类是代数组合学的一个重要课题.本文主要讨论了旗传递5-(v,k,3)设计.由P.J.Cameron和C.E.Praeger的结论可知,此时设计的自同构群是3-齐次群.本文利用3-齐次群的分类,证明了设计的自同构群不能是仿射型群.

  • 标签: T-设计 自同构群 3-齐次群 仿射型群
  • 简介:AnaturalcompactificationofthevirtualconfigurationspaceofNpointsontheRiemannsphereisconstructedbyusingcross-ratios.WeshowthatthiscompactificationishomeomorphictotheBers’compactificationofthevirtualmodulispaceofapuncturedRiemannsphereoftypeN.Inparticular,thesystemofglobalandexplicitcoordinatesofthisstandardcompactificationisgivenbycross-ratios.

  • 标签: 配置空间
  • 简介:CarbonsupportedPt(Pt/C)electrocatalystswerepreparedwithglucoseasprotectionagentandNaBH4asreductant.ThePtnanoparticlesdepositedoncarbonsupportpresentedreducedsizeandwelldispersityattributedtotheprotectioneffectofglucose.GlucoseabsorbedontheparticlesurfacewasreadilyremovedbywaterwashingwithoutleadingtoagglomerationofthePtnanoparticles.Theas-preparedPt/Celectrocatalystsshowedimprovedmassactivityformethanolelectrooxidationcomparedtothecatalystpreparedwithoutglucoseprotection.TheimprovedperformanceisattributedtothelargerelectrochemicalactivesurfaceareathusincreasedactivesitesonthePt/Celctrocatalystspreparedundertheprotectionofglucose.

  • 标签: 葡萄糖吸收 电催化剂 保护剂 甲醇 电活动 PT纳米粒子
  • 简介:Twooxo-vanadium(IV)complexes,[VO(C2O4)(2,2′-bipy)(H2O)]·C2H5OH(1)andVO(C2O4)(phen)(H2O)(2),where2,2′-bipy=2,2′-bipyridyl,phen=1,10-phenanthroline,weresynthesizedaspotentialfunctionalmodelsofvanadiumhaloperoxidases(VHPOs)inmixedsolventofethanolandwateratroomtemperature.Thecomplexeswerecharacterizedbyelementalanalysis,infrared(IR),UV-VisandX-raycrystallography.Structuralanalysesshowedthatvanadiumatomwascoordinatedbyaterminaloxygen,oneoxygenatomfromcoordinatedwater,twooxygenatomsfromthecarboxylategroupofoxalicacid,andtwonitrogenatoms(N1andN2)from2,2′-bipy/phen.Centralvanadiumatomsincomplexes1and2werebothinadistorted-octahedralenvironment,andsomeintermolecularhydrogenbondinglinkageswerealsoobservedineachcomplex.BrominationreactionactivityofthetwocomplexeswasevaluatedwithphenolredasorganicsubstrateinthepresenceofH2O2,Br-andphosphatebuffer,indicatingthattheycanbeconsideredasapotentialfunctionalmodelofVHPO.Inaddition,thermalanalysiswasalsoperformedanddiscussedindetail.

  • 标签: 过氧化物酶 模型化合物 结构表征 溴化反应 氧钒 仿生催化
  • 简介:Theperovskite-typeAgTaO3crystalswerepreparedbymildhydrothermalmethodanddeterminedbypowderX-raydiffraction.RietveldrefinementindicatesthatAgTaO3crystallizedinanorthorhombicsystemwiththespacegroupPcmn.Thelatticeparametersarea=5.5822(1)nm,b=7.8522(2)nmandc=5.5347(1)nm,withα=β=γ=90.0o.Thecompoundwascharacterizedbyscanningelectronmicroscopy(SEM),X-rayphotoelectronspectroscopy(XPS),highresolutiontransmissionelectronmicroscopy(HR-TEM)andUV-Visdiffusereflectancespectrometry(UV-VisDRS).ThephotocatalyticactivityofAgTaO3powderwasevaluatedbythedegradationofCongoredunderUV-lightirradiation.Theresultshowsthatthetitledcompoundhasahighphotocatalyticactivityatroomtemperatureandpotentialapplicationinphotocatalysis.

  • 标签: 水热合成 Rietveld拟合 X-射线光电子能谱 UV-VIS 光催化活性 扫描电子显微镜