简介:Poly(3-hydroxybutyrate-co-3-hydroxyvalerate)/Organophilicmontmorillonite(PHBV/OMMT)nanocompositeswerepreparedandthebiodegradabilityofthePHBV/OMMTnanocompositeswasstudiedbyacultivationdegradingmethodinsoilsuspension.TherelationshipbetweenstructureandbiodegradabilityofPHBV/OMMTnanocompositeswasinvestigated.TheresultsshowedthatthebiodegradabilityofPHBV/OMMTnanocompositesdecreasedwithincreasingamountofOMMTanditwasrelatedtothenumberofPHBVdegradingmicroorganismsindegradationenvironment,theanti-microbialpropertyofOMMTandthedegreeofcrystallinityofthenanocomposites.
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.
简介:High-performancethin-filmtransistors(TFTs)withalowthermalbudgetarehighlydesiredforflexibleelectronicapplications.Inthiswork,theTFTswithatomiclayerdepositedZnO-channel/Al_2O_3-dielectricarefabricatedunderthemaximumprocesstemperatureof200℃.First,weinvestigatetheeffectofpost-annealingenvironmentsuchasN_2,H_2-N_2(4%)andO_2onthedeviceperformance,revealingthatO_2annealingcangreatlyenhancethedeviceperformance.Further,wecomparetheinfluencesofannealingtemperatureandtimeonthedeviceperformance.Itisfoundthatlongannealingat200℃isequivalenttoandevenoutperformsshortannealingat300℃.ExcellentelectricalcharacteristicsoftheTFTsaredemonstratedafterO_2annealingat200℃for35min,includingalowoff-currentof2.3×10~(-13)A,asmallsub-thresholdswingof245mV/dec,alargeon/offcurrentratioof7.6×10~8,andahighelectroneffectivemobilityof22.1cm~2/V·s.Undernegativegatebiasstressat—10V,theabovedevicesshowbetterelectricalstabilitiesthanthosepost-annealedat300℃.Thusthefabricatedhigh-performanceZnOTFTwithalowthermalbudgetisverypromisingforflexibleelectronicapplications.
简介:用荧光光谱法对水溶液中β-环糊精(β-CD)和青霉素V钾(PMPP)包络反应的光谱行为进行了研究,利用改进的Benesi-Hildebrand法测定了包络物的形成常数.提出了测定PMPP的高灵敏度荧光分析新方法,在最大激发波长236.0nm、最大发射波长308.0nm处,PMPP在8.0×10-10~3.2×10-6g/mL范围内与荧光强度呈良好的线性关系,相关系数为0.9935,方法检出限为1.8×10-10g/mL,相对标准偏差为1.1%(n=5,c=4.0×10-8g/mL).用该法测定片剂中PMPP的结果令人满意,回收率为99.9%-100.4%.
简介:通过荧光法在不同温度下研究了2种抗癌新药:吡柔比星和表柔比星与小牛胸腺DNA的作用,分别应用荧光猝灭和荧光加强理论公式计算了它们的结合常数等,进而分别计算了它们的热力学函数.首先,热力学研究结果表明核酸与药物作用属于氢键和/或VanderWaals力;其次,即使是核酸类生物大分子其与药物的作用,荧光猝灭和荧光加强公式的计算结果仍符合等效性规律;第三,本文对这些猝灭图、双倒数图、生成常数、和热力学数据的差异进行了综合分析比较,结果表明,基于荧光加强理论公式(4)获得的图谱和数值显示更为合理.因而我们建议,即使在研究受体一底物的荧光猝灭反应时,采用荧光加强理论公式(4)可以获得更符合实际的结果.结合以前的类似结果,我们指出:对于任何生物大分子和活性小分子(含金属离子)之间由给体一受体作用所导致的荧光猝灭和荧光加强效应,均可应用我们导出的荧光加强理论公式(4)进行处理,因此我们定名其为广义的荧光猝灭方程.
简介:SodiumdithioniteinitiatedsulfinatodehalogenationofBrCF2CF2Risstudied.
简介:Thecanonicalandlocatizedmolecutarorbitersof[NCCuS2NoS2]2-clusterwerecalculatedbymeansofCNDOquantumchemistrymethod.Thentheenergyandpropertiesofcorrespondingchemicatbondswerediscussed,especially,Cu-Sb-NothreecenterconjugatedπbondsandNo-St-Noconjugatedπbondswereaccountedfor.
简介:研究了钙钛矿太阳能电池材料CH3NH3PbI3(CH3NH3=MA,MAPbI3)的输运特性,理论分析了有机分子MA对晶格结构的影响。发现:MA沿[110]方向排布且近邻MA分子相互垂直的构型最稳定,将此构型作为MAPbI3的标准结构,使用第一性原理方法,通过分析晶格的振动散射或声子散射,计算了MAPbI3材料中形变势散射主导的载流子迁移率,分析了材料的输运特性,讨论了载流子迁移率理论计算值和实验值之间的差异。
简介:YbxY1-xAl3(BO3)4(x=0.1,0.07and0)crystalshavebeengrownbythefluxmethod.ThegrowthdefectsofYbxY1-xAl3(BO3)4crystalsweredetectedbyX-raytopography.ItisfoundthattheperfcetionofYbYABcrystalwithlowYbdopantisbetterthanthatwithhighYbdopant.InYb0.1Y0.9Al3(BO3)4crystal,growhtbands,growthboundaries,grown-indislocationsandinclusionswereobserved.Howver,thedensitiesofgrowthdefectsforYb0.07Y0.93Al3(BO3)4andYAl3(BO3)4arelowandnoobviousinclusionsareobservedinthesecrytals.Inaddition,growthtwinswrerdetectedinYbxY1-xAl3(BO3)4crystalbyusingthechemicaletchingmethod.ItisfoundthatthegrowthtwinsoccurfrequentlyinYb0.01Y0.9Al3(BO3)4crystalwhereasnogrowthtwinappearsinYAl3(BO3)4crystal.Basedontheexperimentalobservations,theformationmechanismofgrowthtwinsisdiscussed.Inthemeantime,theeffectivemeasuresforreducingthegrowthtwinsanddefectsareproposed.2001ElsevierScienceB.V.Allrightsreserved.