学科分类
/ 11
213 个结果
  • 简介:新奇tetra-carboxylphenyl杯的相互作用[4]有牛的心细胞色素c(Cc)的arene(TCPC)被荧光光谱学和分子的建模方法首先调查。稳定的1:1建筑群的形成被荧光滴定监视,并且它的有约束力的常数是1.916脳107L摩尔?1。分子的建模揭示TCPC的识别机制到Cc表面,也就是说,静电的相互作用驾驶TCPC到Cc表面,并且货车derWaals相互作用面向TCPC平行到Cc劈开。

  • 标签: 蛋白质表面识别 荧光光谱学 分子模型 细胞色素
  • 简介:Underdifferentreactionconditions,theexpectedandunexpectedreactionproducts(ofwhichX-raycrystallographicstructurewaspresented)ofetherificationof2-per(poly)fluoroethyl4-substitutedphenolwithβ-haloethanolcanbeobtainedrespectively.

  • 标签:
  • 简介:Thecellulosetris(4-methylbenzoate)hasbeensynthesisedbythecatalyticmethodandwassupportedatGasChromQ.Theabsorptioncapabilityofcellulosetris(4-methylbenzoate)usedasagaschromatographicstationaryphasewascharacterizedbychromatographicmethodandtheClausius-Clapeyronequation.However,n-alcohols(C1-C8)weresuccessfullyseparatedonthecolumnpackedwithGasChromQcoatedwithcellullosetris(4-methylbenzoate).

  • 标签:
  • 简介:IntroductionSelenoetherplatinumcomplexesasanewkindofhydrosilylationcatalysthavebeendrawnmuchatentionrecently.Aseriesofselenoe...

  • 标签: POLYSTYRENE bound CATALYST PLATINUM COMPLEX HYDROSILYLATION
  • 简介:Ahigherβ-glucosidase-producingstrainwasisolatedandidentifiedasTolypocladiumcylindrosporumsyzx4basedonitsmorphologyandinternaltranscribedspacer(ITS)rDNAgenesequence.Thepresentstudyistoferment,purifyandcharacterizeaβ-glucosidasefromT.cylindrosporumgams.Theenzymewaspurifiedtohomogeneitybysulfateprecipitataion,diethylaminoethylcelluloseanionexchangechromatographyandSephadexG-100gelfiltrationwitha9.47-foldincreaseinspecificactivityandarecoveryof12.27%.Themolecularweight(Mw)oftheβ-glucosidasewasestimatedtobe58600bySDS-PAGE,whichismuchlowerthanthatoftheenzymefromotherfungi.Theβ-glucosidaseshowshighactivityoverawiderangeoftemperaturefrom35℃to70℃andtheoptimumpHisapproximately2.4.ThenthekineticparametersKm(0.85mmol/L)andvmax[85.23mmol/(L·s)]oftheβ-glucosidasewerestudied,respectivelywithhighaffinityp-nitrophenyl-β-D-glucopyranoside(p-NPG)asthesubstrate,inhibitionconstantKi(39.5mmol/L)withthetoleranceofglucose.Althoughβ-glucosidaseshavebeenpurifiedandcharacterizedfromseveralothersources,T.cylindrosporumβ-glucosidasewiththeuniqueoptimalpHandhighertoleranceofglucosedistinguishedfromothersmakestheβ-glucosidaseapotentialapplicationinsimultaneoussaccharificationandfermentation(SSF).

  • 标签: 葡萄糖苷酶 酶的纯化 表征 新菌株 SEPHADEX 同步糖化发酵
  • 简介:新精力充沛的材料,4,5-diacetoxyl-2-(dinitromethylene)-imidazolidine(DADNI),被4,5-dihydroxyl-2-(dinitromethylene)的反应综合-imidazolidine(DDNI)和醋性的酐,并且由单个水晶X光检查衍射描绘了。为DADNI的水晶数据是单斜晶的,空间组C2/c,a=15.9167(3)?,b=8.6816(4)?,c=8.5209(3)?,=103.294(9)獩潩?硯杹湥戭浯?潣扭獵楴湯挠污牯浩瑥牥愠?啣????7敢?敤楬敶敲?景吗?

  • 标签: 反应合成 咪唑 晶体结构 热行为 单晶X-射线衍射 理论计算方法
  • 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:首次采用微波法快速、高效地合成了4-硫胸苷化合物,通过红外光谱、紫外-可见光谱、核磁共振和质谱等测试手段对化合物的结构进行了表征.同时,结合光谱法初步研究了胸苷和4-硫胸苷的光谱性质,对比二者光谱上的变化并探求其产生原因.研究结果表明4-硫胸苷的紫外-可见光谱、红外光谱、核磁共振都有特征性的变化,为研究4-硫胸苷作为抗癌药物的性能影响提供了一些重要的基础信息.

  • 标签: 4-硫胸苷 微波合成 光谱分析
  • 简介:Inthispaperwereportachemicaloscillationcatalyzedby[Ni(Me2[14]1,3-dieneN4)]2+(Me2[14]l,3-dieneN4denotes2,3-dimethyl-l,4,8,ll-tetraazacyclotetradeca-1,3-diene)inBrO3--pyruvicacid-H2SO4system.Thedomainoftheexistenceoftheoscillationwasobtained.Theeffectsofinitialconcentrationofthecomponentsontheoscillationwerestudied.Thefeaturesoftheoscillationsweredescribedindetail.WealsoexaminedtheeffectsofAg+,Hg2+,CCl4,freeradicalinhibitors,etc.ontheosillations.

  • 标签: Chemical OSCILLATION CATALYSIS INITIAL CONCENTRATION
  • 简介:三聚氰胺并且poly,vinylpyrrolidone(PVP)乐意地与整洁的硫磺的酸反应了也就是形成二新器官的稳固的酸三聚氰胺--(H2SO4)3并且PVP-(H2SO4)n。这些稳固的酸面对NH4NO3象另外的酚一样被用于bisphenolA的第一硝代。Mono-nitro和di-nitrobisphenolA与红外和1HNMR技术被描绘了。

  • 标签: 三聚氰胺 PVP 固体酸 双酚A 应用程序 硫酸
  • 简介:Theabinitiomolecularorbitalmethodisemployedtostudytheenantioselectivereductionofacetophenonewithboranecatalyzedbythiszolidino[3,4-c]oxazaborolidine.Computationresultshowsthatthecontrollingstepforthereductionisthedecompositionofthecatalyst-alkoxyboraneadductandthereductionleadstoS-alcohols.ThetransitionatateofthehydridetransferfromtheboranemoietytothecarbonylcarbonofacetophenoneisatwistedchairstructurewithaB(2)-N(3)-BBH3-HBH3-CCo-OCO6-memberedring.

  • 标签: 噻唑 Ab inito 量子化学 结构
  • 简介:SYNTHESISOF3-ARYL-1(2H,H)ACRIDONESANDTHEIRDERIVATIVES¥RongYIN;GuangFanHAN;YuTianLI(DepartmentofMedicalLaboratory,JilinMediea...

  • 标签:
  • 简介:结合吲哚的增加到许多,不饱和的酉同类(chalcones)在超声的条件下面在房间温度由KHSO4的催化数量调停了负担得起相应迈克尔使内收在对优秀收益好被报导。

  • 标签: 吲哚 KHSO4 Α Β-不饱和酮 共轭加成
  • 简介:Thenanomaterialsoftenexhibitveryinterestingelectrical,optical,magnetic,andchemicalproperties,whichcannotbeachievedbytheirbulkcounterparts[1-7].Thedevelopmentofuniformnanometersizedparticleshasbeenintensivelypursuedbecauseoftheirtechnologicalandfundamentalscientificimportance[8-15].Itissignificantthatnanostructuredmaterialscanbecontrollablyassembledintotherequiredgeometryontosubstrates,becomingthebasisofthenextgenerationofcomponentsanddevices[16-31].Thedevelopmentofnewmethodsandstrategiesfororganizingthenanoparticlebasicbuildingblocksintothedesiredstructuresisrequired.Superlatticesmadefromthesebuildingblocksgiveustheopportunitytostudynotonlythepropertiesoftheindividualbuildingblocks,butalsocollectiveeffects.Thesuperparamagneticironoxidenanocrystals(NCs)havebeenusedinthefieldsofbio-medicine,ferrofluids,refrigerationsystem,catalysis,particularlyinmagneticresonanceimaging,tissueengineering,anddrugdeliveryapplications[32-42].

  • 标签: 纳米晶体 超晶格 自组装 四氧化三铁 纳米结构材料 超顺磁性氧化铁
  • 简介:Graphitic碳氮化物(g-C3有向在可见轻照耀下面的4-nitrophenol的降级的高photocatalytic活动的N4)被蚀刻的HCl准备由氨中立化列在后面。准备样品的结构,形态学,表面区域,和photocatalytic性质被学习。在处理以后,g-C3N4从几测微计减少了到几百纳米,和g-C3N4从11.5 增加了;m2/g到115 ;m2/g。同时,g-C3N4显著地在可见的光下面向4-nitrophenol的降级在处理以后被改进照耀。小粒子g-C3N4是5.7次体积g-C3为水处理和环境补习为未来应用使它成为有希望的可见轻光催化剂的N4,。

  • 标签: 光催化活性 苯酚降解 氮化物 硝基 石墨 蚀刻
  • 简介:SYNTHESIS AND SPECTRA STUDIES OF TRANSITION METAL COMPLEXES DERIVED FROM 2, -DINITROPHENYL HYDRAZINESYNTHESISANDSPECTRASTUDI...

  • 标签: