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简介：Adetectionofanthracyclineantitumordrugdaunomycin(DNR)reactingwithDNAinsimulatemetabolisminvitrohasbeenmade.ItwasfoundthatDNRcouldreactwithDNAtoformDNR-DNAadducts.TheadductcompositionsofDNRwithfishspermDNAandthermallydenaturatedDNAweredetermined.TheequilibriumassociationconstantKofDNRwithfishspermDNAis1.98×10^5L/molandthatofDNRwithdenaturatedDNAis2.29×10^4L/mol.Semiquinonefreeradicals,metabolicproductsofDNR,candestroybothfishspermDNAanditsthermallydenaturatedDNA.ItisverifiedbyhyperchromiceffectincreaseobservedinUVspectrumandAFMexperiments.ThemechanismofDNAdegradationhasalsobeeninvestigated.Resultsobtainedallowonetoexplainthereasonofsideeffectofanthracyclinedrugandgivethewaytodepress,whichwereofclinicalsignificance.

简介：Inviewoftheanti-HIVactivitiesofdelavirdineandresveratrol,anovelanti-AIDsdrugResdelasu,1-{3-[(1-methyl-ethyl)amino]-2-pyridinyl}-4-{[5-(4-{5[(1E)-2-(hydroxyphenyl)ethenyl]-1,3-benzenedioyl-carbonylbu-tanoyl}amino)-1H-indol-2-yl]carbonyl}-piperazinewassynthesizedbylinkingthedelavirdinederivativeandresveratrolwithsuccinicanhydrideastheconjugatedcompoundviatwodifferentroutes.Itsstructurewasconfirmedbymeansof1HNMR,13CNMR,IR,MS,andelementalanalysis.TherouteofesterificationfollowedbyamidationforsynthesizingResdelasuwassimplerandgaveahigheryield(46%)thanthatofamidationfollowedbyesterification.ItwasprovedthatthemethodwasefficientandconvenienttoprepareResdelasu.TheresultsofHIV-1ReverseTranscriptaseAssayandquantitativetitrationofHIV-1viaMAGIassayshowedthatanovelanti-AIDsdrug,Resdelasu,hadbeensynthesized.

简介：Theactivesiteof3CLproteinase(3CL^por)forcoronaviruswasidentifiedbycomparingthecrystalstructuresofhumanandporcinecoronavirus.Theinhibitorofthemainproteinofrhinovirus(Ag7088)couldbindwith3CL^proofhumancoronavirus,thenitwasselectedasthereferenceformoleculardockinganddatabasescreening.Theligandsfromtwodatabaseswereusedtosearchpotentialleadstructureswithmoleculardocking.SeveralstructuresfromnaturalproductsandACD-SCdatabaseswerefoundtohavelowerbindingfreeenergywith3CL^prothanthatofAg7088.ThesestructureshavesimilarhydrophobicitytoAg7088.Theyhavecomplementaryelectrostaticpotentialandhydrogenbondaeceptoranddonorwith3CL^pro,showingthatthestrategyofanti-SARSdrugdesignbasedonmoleculardockinganddatabasescreeningisfeasible.

简介：Amild,regioselective1,3-dipolarcycloadditionprotocolforthepreparationofphenylselenomethylisoxazolinesthroughsubstitutedallylphenylselenidesandnitrileoxideswasreported.

简介：Bothenantiomersofdenopamineweresynthesizedusingmicrobial-chemicalapproachviabioreductionof1-(acetoxyphenyl)ketone4(R=CH2C1)and5(R=CO2Et)withfungusGeotrichumsp.G38.

简介：Three—layerback—propagationneuralnetworkswereusedforprocessingtheinformationprovidedbytheultravioletspectraoffive—componentmixtures,affectingthesimultaneousdeterminationofthecomponentswithsatisfactoryresults.

简介：Poly(vinylidenefluoride)(PVDF)/multi-walledcarbonnanotube(MWCNT)nanocompositeswerepreparedbymeansofultrasonicdispersionmethod.X-raydiffraction(XRD)resultsindicatethatincorporatingMWCNTsintoPVDFcausedtheformationofβphase.Athermalannealingat130°Cconfirmedthattheβphasewasstableinthenanocomposites.Differentialscanningcalorimetry(DSC)resultsindicatethatthemeltingtemperatureslightlyincreasedwhiletheheatoffusionmarkedlydecreasedwithincreasingMWCNTcontent.ThetensilestrengthandmodulusofPVDFwereimprovedbyloadingtheMWCNTs.Thescanningelectronmicroscopy(SEM)observationsshowedthatMWCNTswereuniformlydispersedinthePVDFmatrixandaninterfacialadhesionbetweenMWCNTandPVDFwasachieved,whichwasresponsiblefortheenhancementinthetensilestrengthandmodulusofPVDF.

简介：Polyamide/acrylonitrile-butadiene-styrenecopolymer(PA/ABS)blendshavedrawnconsiderableattentionfrombothacademiaandindustryfortheirimportantapplicationsinautomotiveandelectronicareas.DuetopoormiscibilityofPAandABS,developinganeffectivecompatibilizationstrategyhasbeenanurgentchallengetoachieveprominentmechanicalproperties.Inthisstudy,wecreateasetofmechanicallyenhancedPA6/ABSblendsusingtwomulti-monomermelt-graftedcompatibilizers,SEBSg-(MAH-co-St)andABS-g-(MAH-co-St).Thedisperseddomainsizeissignificantlydecreasedandmeanwhiletheunique“softshell-encapsulating-hardcore”structuresforminthepresenceofcompatibilizers.Theoptimummechanicalperformancesmanifestanincreaseof36%intensilestrengthandanincreaseof1300%inimpactstrength,comparedwiththeneatPA6/ABSbinaryblend.

简介：Inthisworkamulti-objectivequantitativestructure-propertyrelationship(QSPR)analysisapproachwasreportedbasedonthestudyonthreepartitionpropertiesof50aromaticsulfur-containingcarboxylates.Heremulti-objectives(properties)weretakenasavectorforQSPRmodeling.Thequantitativecorrelationsforpartitionpropertiesweredevelopedusingage-neticalgorithm-basedvariable-selectionapproachwithquantumdescriptors,derivedfromAM1-basedcalculations.WiththeQSPRmodels,theaqueoussolubmty,octanol/waterpartitioncoefficientsandreversed-phaseHPLCcapacityfactorsofsulfur-contalningcompoundswereestimatedandpredicted.UsingGA-basedmultivariatelinearregressionwithcross-vali-dationprocedure,asetofthemostpromisingdescriptorswasselegtedfromapoolof28quantumchemicalsemi-empiricalde-scriptors,inclodingstericandelectronictypes,tointegrallybuildQSPRmodels.Theselectedmoleculardescriptorsinclud-edthenetchargesoncarboxylgroup(Qoc),the2ndpowerofnetehnrgesonnitrogenatoms(QN^2),thenetatomicchargeonthesulfuratoms(Qs),thevanderWaalsvolumeofmolecule(V),themostpositivenetatomicchargeonhydrogenatoms(QH)andthemeasureofpolarityandpolarizability(π),whichweremainfactorsaffectingthedistributionprocessesofthecompoundsunderstudy.ThestatisticallybestQSPRmodelsofsixdescriptorsweresimultaneouslyobtainedbyGA-basedlinearregressionanalysis.WiththeselecteddescriptorsandtheQSPRequations,mechanismsofpartitionactionoftheSulfur-containingcarboxylateswereabletobeinvestigatedandinter-preted.

简介：Inthiswork,acidfunctionalizedmulti-wallcarbonnanotubes(MWCNTs)weremodifiedwithimidazolium-basedionicliquids.Theselectiveoxidationofvariousalcoholswithhydrogenperoxidecatalyzedby[PZnMo_2W_9O_(39)]~(5-),ZnPOM,supportedonionicliquids-modifiedwithMWCNTs,MWCNTAPIB,isreported.Thiscatalyst[ZnPOM@APIB-MWCNT],wascharacterizedbyX-raydiffraction,scanningelectronmicroscopy(SEM)andFT-IRspectroscopicmethods.Thisheterogeneouscatalystexhibitedhighstabilityandreusabilityintheoxidationreactionwithoutlossofitscatalyticperformance.

简介：3,4,5代用品furan-2(5H)的灵巧的一个壶合成从在用象催化剂的tetra-n-butylammonium重硫酸盐的温和条件下面的苯胺衍生物，dialkylacetylenedicarboxylates和芳香的醛的三部件的反应的一衍生物被开发了。