学科分类
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10 个结果
  • 简介:Inathree-dimensionaloff-latticemodel,themethodofShakhnovichandGutinforminimizingtheHamiltonianisappliedtothedesignofaprotein-modelchain.Theeffectofthenumberofhydrophobicandhydrophilicmonomertypesonthedesignabilityofaprotein-modelchainisinvestigated.Thesimulationresultsrevealthatthenumberofhydrophobicmonomertypesisamuchmoreimportantfactorthanthatofthepolarmonomertypesinthedesignofaprotein-modelchain.

  • 标签: 分子生物学 蛋白质模型链 可设计性
  • 简介:Inthispaper,thedensityfunctionaltheoryhasbeenusedtoperformacomparativetheoreticalstudyofwatermonomer,dimer,trimer,andbilayeradsorptionsontheBe(0001)surface.Inourcalculations,theadsorbedwatermoleculesareenergeticallyfavouredadsorbedontheatopsites,andthedimeradsorptionisfoundtobethemoststablewithapeakadsorptionenergyof~437meV.Furtheranalyseshaverevealedthattheessentialbondinginteractionbetweenthewatermonomerandthemetalsubstrateisthehybridizationofthewater3a1-likemolecularorbitalwiththe(s,pz)orbitalsofthesurfaceberylliumatoms.Whileinthecaseofthewaterdimeradsorption,the1b1-likeorbitaloftheH2Omoleculeplaysadominantrole.

  • 标签: 水吸附 三聚体 体表面 密度泛函理论 氢键相互作用 二聚体
  • 简介:RADICAL POLYMERIZATION OF VINYL MONOMER INITIATED BY CERIC ION/TARTARIC ACIDRADICALPOLYMERIZATIONOFVINYLMONOMERINITIATEDBYCER...

  • 标签: ACID
  • 简介:Alkali-solubleassociativelatexthickenersmodifiedwithhydrophobiclongchainalkylgroupswerepreparedusingcommonacrylicsandvaryingamountofafunctionalmonomer,ethoxylatedbehenylmethacrylate(BEM),throughemulsionpolymerization.ItwasfoundthatthesizeoftheemulsionparticlebecamelargerwithadditionofBEM.ThelighttransmittanceofthethickenerlatexsharplyincreasedwithpHvariedfrom6to7.Theassociativelatexthickenermanifestedahigherviscositywhensolidsinthelatexthickenerswerekeptat0.5wt%orhigher,andtheoptimalamountofBEMwasfoundtobearound2.5wt%,or0.16mol%.AllthickenerlatexesmodifiedwithBEMhavebettershearingresistancethantheBEM-freethickener.

  • 标签: ASSOCIATIVE THICKENER Functional MONOMER Ethoxylated behenyl
  • 简介:一种amphiphilic功能的单体被选择修改polyacrylamide(PAM)或部分hydrolyzedpolyacrylamide(HPAM)。修改polyacrylamide(HM-PAM)的相对性质并且部分修改了象旋转的半径那样的hydrolyzedpolyacrylamide(HM-HPAM)(Rg),水动力学半径(RH),和光线的分发功能(RDF)是学习了与从1%~4%改变修改单体的数量发现在聚合物链和内在的粘性的微观结构之间的内在的关系。当修改单体的百分比是2%并且当时,有更强壮的盐忍耐时,模拟结果证明与HPAM相比,HM-HPAM在增加粘性有更好的表演修改单体是4%。而且,复杂的氢结合的网络与光线的分发函数(RDF)的分析被揭示,对关联函数被用来调查Na的扩散性在COO的+和碳原子组。

  • 标签: 改性单体 功能单体 相关属性 丙烯酰胺共聚物 两亲性 动力学模拟
  • 简介:Thepurposeofthisstudywastouseathree-componentphotoinitiationsystemcomprising1wt%CQ(camphorquinone),2wt%DMAEMA(2-(dimethylamino)ethylmethacrylate)and2wt%Ph2I+PF6-(diphenyliodoniumhexafluorophosphate)toinitiatethecopolymerizationofthematrixresinswhichcombinebisphenol-S-bis(3-methacrylate-2-hydroxypropyl)ether(BisS-GMA)withtheexpandingmonomerunsaturatedspiroorthoesters2-methylene-1,4,6-trispiro[4,4]nonane(MTOSN),forminimizingthevolumetricshrinkagethatgenerallyoccursduringpolymerization.ItwashypothesizedthatMTOSNwouldexpandvolumetricallyduringpolymerizationunderthethree-componentphotoinitiatorsystemandfurtherreductionsinvolumetricshrinkagewouldbeobtained.Theperformancestudywhichconsistsofdegreeofconversionandconditionofthering-openingreactionsofMTOSN,volumetricshrinkageandmechanicalpropertiesincludingtensilebondstrength,compressivestrengthandVicker'shardnesswerecarriedoutrespectivelybyFouriertransferinfrared,thedilatometerandtheuniversaltestingmachine.Theresultssupportedthatthedentalcompositesbasedontheexpandingmonomerandthree-componentphotoinitiatorsystemengenderedagreaterdecreaseofvolumetricshrinkageandbettermechanicalproperties.

  • 标签: 光固化树脂 三分量 大单体 光引发剂 基础 牙科
  • 简介:Polymerizationofthreecyclicketeneacetals:i.e.,5,6-benzo-2-methylene-1,3-dioxepane(BMDO),2-methylene-4-phenyl-1,3-dioxolane(MPDO)and4,7-dimethyl-2-methylene-1,3-dioxepane(DMMDO)werecarriedoutinthepresenceofethylα-bromobutyrate/CuBr/2,2'-bipyridinerespectively.Thestructuresofpoly(BMDO),poly(MPDO)andpoly(DMMDO)werecharacterizedby1Hand13C-NMRspectra.Theeffectsofmonomerstructureonthebehaviorofatomtransferfreeradicalring-openingpolymerizationwereinvestigatedandthemechanismofcontrolledfreeradicalring-openingpolymerizationwasdiscussed.

  • 标签: CONTROLLED RADICAL polymerization RING-OPENING polymerization Atom
  • 简介:Theuniformsurfaceion-imprintedresinsforZn2+astheimprintingguestwerepreparedbyemulsifier-freeemulsionpolymerizationutilizingallyphenylhydrogenphosphateasafunctionalcomonomer.TheZn2+-imprintedresinadsorbedZn2+muchmoreeffectivelythandidtheunimprintedone.Theselectivefeatureofthesurfaceimprintedresinstothetemplateionswasdemonstrated.

  • 标签: 表面金属离子印迹树脂 无乳化剂乳液聚合 吸附 制备 磷二酯 功能单体
  • 简介:中国降下的罗猴猕猴比印度起源的猕猴为HIV感染和疫苗的调查变得更流行。大多数象主要histocompatibility那样的当前可得到的数据和试剂然而,建筑群(MHC)一级tetramers历史上由于这些动物的主导的使用从印度起源的猕猴被导出。尽管在在二张猕猴人口之间的immunogenetic背景有重要差别,他们分享普通MHC一级等位基因的一些。我们为单体和tetramer与被识别是Mamu-B*1701的epitopeIW9(IRYPKTFGW)在印度猕猴限制了的一个主导的猿的免疫不全病毒(SIV)装载了的可溶的Mamu-B*1703(中国猕猴的一个MHC一级分子)的准备在这研究报导了过程。编码细胞外的领域与BirA底层肽(BSP)熔化了的Mamu-B*1703的DNA碎片从以前克隆的cDNA被放大并且插入了到prokaratic表示向量。面对antigenic肽IW9和轻链2-microglobulin,表示的重链是进可溶的单体的refolded。在biotinylation以后,四单体作为由结合藻红朊的streptavidin的tetramer是polymerized。tetramer,被证实了有正确符合构造,是为在中国猕猴的SIV疫苗的模型的抗原特定的CD8+T淋巴细胞的调查的一个潜在的工具。并且我们的结果也建议在印度起源的猕猴报导的一些antigenic肽能直接为中国猕猴MHCtetramers的建设作为ligands被招募。

  • 标签: 猴免疫缺陷病毒 主要组织相容性 病毒多肽 四聚体 可溶性 猕猴