欢迎来到人人文库网! | 帮助中心 人人文库renrendoc.com美如初恋!
人人文库网
首页 人人文库网 > 资源分类 > PDF文档下载

外文翻译-- The Morphology Prediction of Lysozyme Crystals Deduced from the BFDH Law and.PDF

  • 资源大小:884.24KB        全文页数:4页
  • 资源格式: PDF        下载权限:游客/注册会员/VIP会员    下载费用:1
游客快捷下载 游客一键下载
会员登录下载
下载资源需要1

邮箱/手机号:
您支付成功后,系统会自动为您创建此邮箱/手机号的账号,密码跟您输入的邮箱/手机号一致,以方便您下次登录下载和查看订单。注:支付完成后需要自己下载文件,并不会自动发送文件哦!

支付方式: 微信支付    支付宝   
验证码:   换一换

友情提示
2、本站资源不支持迅雷下载,请使用浏览器直接下载(不支持QQ浏览器)
3、本站资源下载后的文档和图纸-无水印,预览文档经过压缩,下载后原文更清晰   

外文翻译-- The Morphology Prediction of Lysozyme Crystals Deduced from the BFDH Law and.PDF

THEMORPHOLOGYPREDICTIONOFLYSOZYMECRYSTALSDEDUCEDFROMTHEBFDHLAWANDATTACHMENTENERGYMODELBASEDONTHEINTERMOLECULARINTERACTIONZHANZHONGWANG,PINGPINGJIANGSCHOOLOFAGRICULTUREANDBIOENGINEERINGTIANJINUNIVERSITYTIANJIN300072,PEOPLE’SREPUBLICOFCHINAWZZ7698TJUEDUCNLEPINGDANGSCHOOLOFCHEMICALENGINEERINGANDTECHNOLOGYTIANJINUNIVERSITYTIANJIN300072,PEOPLE’SREPUBLICOFCHINADLEPINGHOTMAILCOMABSTRACTTHECRYSTALMORPHOLOGYOFORTHORHOMBICLYSOZYMEISPREDICTEDUSINGTHEBRAVAISFRIEDELDONNAYHARKERBFDHANDTHEATTACHMENTENERGYAEMODELSOFMOLECULARSIMULATIONSOFTWARECERIUS2INVACUOTHEMORPHOLOGYPREDICTEDBYTWOMODELSISAPPROXIMATELYCONSISTENTTHEMORPHOLOGYPREDICTEDBYAEMODELISINGOODAGREEMENTWITHTHEMORPHOLOGYOFCRYSTALSGROWNFROMSOLUTIONATPH65THEMAINCRYSTALFACES{011},{101}AND{110}AREOBSERVEDINMORPHOLOGYPREDICTEDBYAEMODELBYCLEAVINGREVEALABLECRYSTALFACESINMORPHOLOGYPREDICTEDBYAEMODEL,SURFACECHEMISTRYVISUALIZATIONANDTHEORETICALANALYSISBASEDONINTERACTIONOFININTRAMOLECULESORINTERMOLECULESFORTHEIMPORTANTMORPHOLOGICALFORMSAREPERFORMEDTHERESULTSHOWSTHATSTERICHINDRANCEANDHBANDINTERACTIONPLAYSCRITICALROLEFORTHEPLATELIKEMORPHOLOGYOFORTHORHOMBICLYSOZYMEKEYWORDSLYSOZYME;MORPHOLOGYPREDCITION;MODELING;INTERMOLECULARINTERACTIONINTRODUCTIONTHESHAPEOFACRYSTALISGOVERNEDBYTHERELATIVEGROWTHRATESOFEACHOFTHECRYSTALFACESPRESENTTHEMOSTPROMINENTFACEOFACRYSTALISTHESLOWESTGROWING,WHILETHESMALLESTFACEISTHEFASTESTGROWINGTHUS,THEMORPHOLOGICALIMPORTANCEOFAPARTICULARFACEISINVERSELYPROPORTIONALTOTHEGROWTHRATEOFCRYSTALFACEIDENTIFICATIONOFPOSSIBLEGROWTHDIRECTIONSORFACESISTHEFIRSTPARTOFMORPHOLOGYPREDICTION1EARLYWORKINCRYSTALMORPHOLOGYPREDICTIONWASUNDERTAKENBYGIBBSIN1875INWHICHHEPROPOSEDTHATTHESHAPEOFACRYSTALWILLBEONETOMINIMIZETHETOTALFREEENERGYASSOCIATEDWITHTHESURFACEENERGIESOFTHEGROWNCRYSTALLATERBRAVAIS,FRIEDEL,ANDDANNAYANDHARKER1,2PROPOSEDMORPHOLOGICALSIMULATIONSBASEDMERELYONCRYSTALLATTICEGEOMETRYTHEBFDHLAW,SUBSTANTIATEDBYEMPIRICALOBSERVATION,PROPOSEDTHATTHECRYSTALWILLBEFORMEDBYFACESBOUNDINGTHEDIRECTIONSOFTHEGREATESTINTERPLANARSPACINGOFTHECRYSTALLATTICEACCORDINGTOTHISLAW,THELARGERTHEINTERPLANARDISTANCEDHKLIS,THELARGERTHEMORPHOLOGICALIMPORTANCEMIOFTHECORRESPONDINGHKLFACEISTHUS,BASEDONUNITCELLPARAMETERS,SPACEGROUPANDHENCE,EXTINCTIONCONDITION,ANDTHERECIPROCALOFTHEINTERPLANARDISTANCES1/DHKL,USEDASTHEDISTANCESFROMTHECENTREOFTHECRYSTALTOTHERESPECTIVEHKLSURFACES,ONEMAYOBTAINATHEORETICALBFDHMORPHOLOGYTHEBFDHMETHODESTIMATESTHEMORPHOLOGYFROMTHECRYSTALSYMMETRYANDTHELATTICEPARAMETERSWITHOUTTAKINGINTOACCOUNTTHECHEMICALNATUREANDPACKINGOFTHEATOMSORMOLECULESTHATFORMTHECRYSTALANDNEGLECTINGTHEPOSSIBILITYOFSPECIFICENERGETICINTERACTIONSBETWEENTHESURFACEATOMSINFLUENCINGTHECRYSTALMORPHOLOGYITMAYBEUSEDASAQUICKSCREENINGTOOLTOESTIMATETHEHABITOFACRYSTALIN1955,HARTMANANDPERDOKPROPOSEDPERIODICBONDCHAINPBCTHEORYTOACCOUNTFORENERGYINTERACTIONSBETWEENCRYSTALLIZINGSPECIESINTHEDERIVATIONOFCRYSTALMORPHOLOGYLATERTHISTHEORYWASFURTHERDEVELOPEDBYHARTMANANDHARTMANANDBENNEMA3APBCISASTRONGBONDBETWEENMOLECULESRUNNINGPARALLELTOACRYSTALLOGRAPHICDIRECTIONACRYSTALISMADEOFANETWORKOFPBCSHAVINGDIFFERENTENERGIESDEPENDINGONTHEBONDENERGYBETWEENTHEMOLECULESTHEYCONTAINCONSEQUENTLY,ITISPOSSIBLETOCLASSIFYTHEPBCSASAFUNCTIONOFTHEIRENERGYANDDISTINGUISHSTRONGPBCSFROMWEAKPBCS4GROWTHRATEISRELATEDTODIRECTIONOFBONDCHAINANDTHEFASTESTDIRECTIONOFCRYSTALGROWTHISTHATOFTHESTRONGESTCHEMICALBONDIN1980,BASEDONPBCMODEL,HARTMANANDPERDOKPROPOSEDATTACHMENTENERGYMODELBUILDONINCORPORATINGENERGYTERMSINTHECALCULATIONOFTHETHEORETICALCRYSTALMORPHOLOGY,ADVANCESINMORPHOLOGYPREDICTIONWEREREALIZEDWHENCRYSTALGROWTHWASVIEWEDASTHEATTACHMENTOFSLICESORLAYERSOFORDEREDMOLECULESTOANEXISTINGCRYSTALFACE1THISCONCEPT,KNOWNASTHEATTATCHMENTENERGYAEMETHOD,REQUIRESTHEDETERMINATIONOFTHELATTICEANDSLICEENERGIESFORCALCULATIONOFTHEATTACHMENTENERGYINEACHIMPORTANTCRYSTALLOGRAPHICDIRECTIONTHISATTACHMENTENERGYDIRECTLYINFLUENCESTHEMACROSCOPICSHAPEOFTHECRYSTAL4THELATTICEENERGYISTHEENERGYCALCULATEDBYSUMMINGPAIRINTERACTIONSFORTHEENTIRE,PERFECTCRYSTALTHEENERGYRELEASEDONTHEFORMATIONOFAGROWTHSLICEOFTHICKNESS,DHKL,ISTHESLICEENERGY,WHILETHEENERGYRELEASEDONTHEATTACHMENTOFAGROWTHSLICETOTHECRYSTALSURFACEISTHEATTACHMENTENERGYTHETERMOFINTERESTFORMORPHOLOGICALPREDICTIONSISTHEATTACHMENTENERGYOFEACHCRYSTALFACESUBTRACTINGTHESLICEENERGYFOREACHFACEFROMTHELATTICEENERGYPROVIDESTHEATTACHMENTENERGYFOREACHOFTHEFACESTHERELATIVEGROWTHRATEFOREACHFACEWASTAKENTOBEPROPORTIONALTOATTACHMENTENERGYANDHENCEFACESWITHTHELOWESTATTACHMENTENERGIESWEREPREDICTEDTOBETHESLOWESTGROWINGSURFACESANDHENCETOHAVETHEHIGHESTMORPHOLOGICALIMPORTANCE5THENAMECRYSTALLOGENESISAROSEWHENITBECAMEEVIDENTTHATTHEFIELDOFCRYSTALLIZATIONOFPROTEINSANDOTHERBIOLOGICALMACROMOLECULESWASNOTRESTRICTEDSIMPLYTOCRYSTALPRODUCTIONFORDIFFRACTIONSTUDIES,BUTITENCOMPASSED,INFACT,ALLPHASESOFSTRUCTURALBIOLOGY,FROMPROTEINEXPRESSIONANDPURIFICATION,TORECORDINGOFDIFFRACTIONDATAWITHREGARDTO9781424447138/10/25002010IEEEBIOLOGICALMACROMOLECULE,XRAYCRYSTALLOGRAPHYHASPLAYEDAFUNDAMENTALROLEINCONNECTINGTHEDOTSBETWEENGENOMICDATAANDBIOLOGICALFUNCTIONBYPROVIDINGACCURATESTRUCTURALINFORMATIONTORESOLVESEVERALSIGNIFICANTRESEARCHPROBLEMSTHEEARLIESTXRAYDIFFRACTIONSTUDIESOFTHESTRUCTURESOFBIOLOGICALMACROMOLECULESBEGANINTHEEARLYPARTOFTHE20THCENTURY,VERYLITTLEPROGRESSHASBEENMADEINOURUNDERSTANDINGOFHOWTOFACILITATETHEPROCESSOFCRYSTALLIZINGSUCHMACROMOLECULESFORSTRUCTURALANALYSESASARESULT,OBTAININGHIGHQUALITYMACROMOLECULARCRYSTALSREMAINSDIFFICULT,UNPREDICTABLE,ANDFRUSTRATINGANDBECOMESPERSISTENTBOTTLENECKTOTHEGREATERAPPLICATIONOFXRAYCRYSTALLOGRAPHYINSTRUCTURALBIOLOGY6,7SOLVINGPROTEINSTRUCTURESBYXRAYCRYSTALLOGRAPHYISCONTINGENTUPONTHEAVAILABILITYOFORDERED,DIFFRACTIONQUALITYCRYSTALS8INTHEFIELDOFCRYSTALGROWTH,INORDERTOOBTAINHIGHQUALITYLABORATORYGROWNCRYSTALS,THERESEARCHERWHOISINTERESTEDINCRYSTALMORPHOLOGYOFTENNEEDSTOVISUALIZEACRYSTALHABITRESULTINGFROMASETOFOBSERVEDORCALCULATEDDATA,SUCHASGROWTHRATES,SURFACEENERGIESANDHABITCONTROLLINGFACTORSCRYSTALLIZATIONISEFFECTEDVIAMOLECULARRECOGNITIONATTHEINTERFACEBETWEENTHEGROWINGCRYSTALANDITSMOTHERPHASESUCHEFFECTSHAVELONGBEENOBSERVEDANDHAVEBEENRELATEDTOGROWTHSOLUTIONTHERMODYNAMICS,SPECIFICFACESTRUCTUREANDGROWTHMECHANISM,ANDMOLECULARRECOGNITIONPROCESSATSPECIFICPLANES9INCREASEDUNDERSTANDINGOFCRYSTALGROWTHFROMSOLUTIONCANENHANCETHEPERFORMANCEOFTHESEPARATIONANDPURIFICATIONPROCESSESINMANYINDUSTRIESALTHOUGHTHECRYSTALGROWTHHABITDIFFERSFROMTHETHEORETICALMORPHOLOGYDUETOTHEINFLUENCEOFCRYSTALGROWTHENVIRONMENT,THECRYSTALMORPHOLOGYISVERYMUCHCONNECTEDWITHTHECRYSTALSTRUCTURECRYSTALMORPHOLOGYHASBEENTHEFOCUSOFNUMEROUSRESEARCHEFFORTS1012CRYSTALLIZATIONOFHENEGGWHITELYSOZYMEHASALREADYBEENSTUDIEDFORSOMEYEARSSINCEITISANIDEALMODELSYSTEMFORCRYSTALLIZATIONOFPROTEINSINGENERALOTHERKINDSOFLYSOZYMECRYSTALSHAVESELDOMBEENUSED,EXCEPTFORTHETHEORTHORHOMBICFORM13THEMORPHOLOGYANALYSISOFTHEORTHORHOMBICLYSOZYMECRYSTALSMAYINCREASEOURKNOWLEDGEOFCRYSTALGROWTHOFLYSOZYMETOINSTRUCTTOOBTAINHIGHQUALITYCRYSTALS,WHICHCANBEAPPLIEDSTRUCTURALANLYSISTOPROVIDEACCURATEINFORMATIONFORGENOMICDATAANDBIOLOGICALFUNCTIONTHEAIMOFTHEPRESENTRESEARCHISWASTOAPPLYADVANCEDMOLECULARMODELLINGTECHNIQUESTOSIMULATETHETHEORETICALCRYSTALMORPHOLOGYOFORTHORHOMBICLYSOZYME,ANDCOMPARESTHETHEORETICALMORPHOLOGYWITHACTUALHABITOFLYSOZYMECRYSTALGROWNINANAQUEOUSSOLUTIONINTHECOURSEOFREFININGTHEMODEL,VALUABLEINFORMATIONCONCERNINGMOLECULARINTERACTIONSWITHINTHELYSOZYMECRYSTALWASEXTRACTEDFROMTHESIMULATIONEXPERIMENTALANDCOMPUTATIONALMOLECULARMODELINGMETHODOLOGYMATERIALSHENEGGWHITELYSOZYME,RECRYSTALLIZEDANDLYOPHOLIZEDWASPURCHASEDFROMSIGMAANDUSEDWITHOUTFURTHERPURIFICATIONITSMOLECULARWEIGHTWASASSUMEDTOBE143KGMOL1OTHERCHEMICALREAGENTSWEREANALYTICALPURITYDISTILLEDDEIONIZEDWATEROFHPLCGRADEWASUSEDCRYSTALLIZATIONEXPERIMENTANDMICROSCOPYMEASUREMENTPROTEINWATERSTOCKSOLUTIONSWITHPROTEINCONCENTRATIONOF1020WEREPREPARED,ANDTHEIRMEASUREDPHWAS65ORSLIGHTLYHIGHERIFNECESSARY,PHWASLOWEREDTO65BYSMALLADDITIONSOFHCLAQUEOUSSOLUTIONSSUPERSATURATEDSOLUTIONSWEREOBTAINEDBYMIXINGPROTEINWATERSTOCKSOLUTIONSWITHCONCENTRATEDSALTWATERSTOCKSOLUTIONSASTOCKSOLUTIONOFSODIUMACETATEBUFFERCONTAINING002SODIUMAZIDEWASALSOADDEDTOMINIMIZEPOSSIBLEPHCHANGESTHESUPERSATURATEDSOLUTIONSWERETHENLEFTAT4C315DAYSDEPENDINGONSAMPLESUPERSATURATIONTOPRODUCECRYSTALSAMICROSCOPICOBSERVATIONOFTHECRYSTALMORPHOLOGYWASCARRIEDOUTTAKINGADVANTAGEOFELECTRONICMICROSCOPYDIGITALIMAGESANALYSISWASPERFORMEDUSINGAPANASONICLUMIXDMCFZ20SYSTEMOPERATINGTHEPANASONICIMAGEANALYSISCONNECTEDTOA3CCDCOLORVISIONCAMERAMOUNTEDONANOLYMPUSBH2OPTICALMICROSCOPECERIUS2MODELINGCRYSTALSTRUCTURESDATAOFORTHORHOMBICLYSOZYMEWASACHIEVEDBYPROTEINDATABANKTOCALCULATETHEORETICALMORPHOLOGYEXPERIMENTALMORPHOLOGYWASUSEDTOCOMPAREWITHTHERESULTOFTHESIMULATEDTHEORETICALMORPHOLOGYCRYSTALMORPHOLOGYPREDICTIONUSINGBFDHANDAEMODELCLASSICMOLECULARMECHANICSANDDYNAMICSSIMULATIONSWERECARRIEDOUTUSINGTHECERIUS2SOFTWAREPACKAGETHECRYSTALBUILDER,MOLECULARMECHANICS,ANDMORPHOLOGYPREDICTIONMODULESWEREEMPLOYEDTOACCOMPLISHTHEMODELINGGOALSOFTHISRESEARCHUNIVERSALFORCEFIELDWASUSEDRESULTSANDDISCUSSIONSTRUCTUREANALYSISTHECRYSTALSTRUCTUREOFLYSOZYMEREPORTEDINCLUDEDORTHORHOMBIC,MONOCLINIC,TETRAGONALANDTRICLINICFORMS,WHICHHASBEENRESOLVEDUSINGXRAYDIFFRACTIONSTUDIESINOURSIMULATIONS,THECRYSTALSTRUCTUREOFTHEORTHORHOMBICLYSOZYMEWASOBTAINEDFROMTHEPROTEINDATABANK14THESTERESTRUCTUREOFLYSOZYMEMOLECULEISSHOWNINFIGURE1THEUNITCELLOFITSCRYSTALSTRUCTUREAREASFOLLOWSA3047,B5939,C6878,ΑΒΓ90,ANDSPACEGROUPISP212121,WHICHISSHOWNINFIGURE2FIGURE1THESTERESTRUCTUREOFLYSOZYMEMOLECULEBALLANDSTICKSTYLELEFT,STICKSTYLERIGHTFIGURE2THEUNITCELLOFORTHORHOMBICLYSOZYMEMORPHOLOGYPREDICTIONBYBFDHMODELSTRUCTUREANALYSISTHETHREEFACES{110},{002},{011},{101}DOMINATEDTHECRYSTALHABITASREVEALEDFROMTHEBFDHMORPHOLOGICALPREDICTIONTHERESULTSARESUMMARIZEDINTABLEⅠACCORDINGTOBFDHLAW,THELARGERTHEINTERPLANARDISTANCEDHKLIS,THELARGERTHEMORPHOLOGICALIMPORTANCEMIOFTHECORRESPONDINGHKLFACEISFROMTHETABLE1,ITCANBESEENTHATDHKLOF{011}FACEISTHELARGESTANDITSFACETAREAIS6349OFTOTALFACETAREA,WHICHMEANS{011}FACEOWNSTHELARGESTTHEMORPHOLOGICALIMPORTANCEMITHEDHKLOF{101}FACEISSLIGHTLYLARGERTHAN{110}FACEANDDHKLOF{002}ISTHESMALLESTCRYSTALMORPHOLOGYPREDICTEDBYBFDHMODELCANBEDEDUCEDANDWASSH

注意事项

本文(外文翻译-- The Morphology Prediction of Lysozyme Crystals Deduced from the BFDH Law and.PDF)为本站会员(tuzhidiguo)主动上传,人人文库网仅提供信息存储空间,仅对用户上传内容的表现方式做保护处理,对上载内容本身不做任何修改或编辑。 若此文所含内容侵犯了您的版权或隐私,请立即通知人人文库网(发送邮件至[email protected]或直接QQ联系客服),我们立即给予删除!

温馨提示:如果因为网速或其他原因下载失败请重新下载,重复下载不扣分。

关于我们 - 网站声明 - 网站地图 - 资源地图 - 友情链接 - 网站客服客服 - 联系我们

网站客服QQ:2846424093    人人文库上传用户QQ群:460291265   

[email protected] 2016-2018  renrendoc.com 网站版权所有   南天在线技术支持

经营许可证编号:苏ICP备12009002号-5