不同電性納米碳管共價(jià)修飾FAD的分子動(dòng)力學(xué)模擬研究.pdf

1、浙江大學(xué)碩士學(xué)位論文不同電性納米碳管共價(jià)修飾FAD的分子動(dòng)力學(xué)模擬研究姓名：曾勇申請(qǐng)學(xué)位級(jí)別：碩士專業(yè)：生物醫(yī)學(xué)工程指導(dǎo)教師：葉學(xué)松20120314浙江人學(xué)碩士學(xué)位論文AbstractAbstractElectronictransferthroughnanomaterialsquicklypassedtotheelectrodestoimprovethetransferrateisathird—generationglucosesens

2、orBythereconstructionofthesystem，glucoseoxidaseandglucoseredoxelectronicturnoverrateCangreatlyimproveForthestudyofcarbonnanotubecovalentmodificationofflavinadeninedinucleotide(FAD)，thereconstructionofitssystemrationality

3、andsystemrestructuringmethodhaslackrationaldiscussionandstudyofthemachineAddresstheseissues，thepaperinvestigatedchargedorunchargedsinglewalledcarbonnanotubes(SWNT)covalentlymodifiedFADbymoleculardynamics(MD)simulationsme

4、thodtostudythemorphologicalchangesofdifferencesofdifferentelectricalcarbonnanotubescovalentlymodifiedFAD，toprovideatheoreticalbasisfortheexperimentalsystemtoselectthetypeofcarbonnanotubesWhenthemoleculardynamics(MD)simul

5、ationsinwatercircumstances，thesimulationresultsshowthat：1)PositivelychargedSWNTcovalentlyfunctionalizedFAD，becauseofphophateradical，F(xiàn)ADadsorbsontosurfaceofSWNT；2)NegativelychargedSWNTcovalentlyfunctionalizedFAD；isoalloxa

6、zineandadenineformconjugatedstructureandFADformsa‘‘U”shape3)UnchargedSWNTcovalentlyFAD，becausethehydrophobicpropertiesofSWNT，partofFADisawayfromsurfaceofSWNT；4)StructureofisoalloxazineslightlychangedinMDruns7nsmoleculard

7、ynamics(MD)simulationresults，wefoundthatunchargedsingle—walledcarbonnanotubesmaybethebestelectrontransfermediachoiceofreconstructionapo—glucoseoxidaseKeyWords：Covalentlyfunctionalized，nanotube，apo—GOx，flavinadeninedinucl