简介：利用同源模建和分子动力学模拟方法搭建了鼠源雌激素硫酸转移酶的三维结构，并用Profile-3D和Prostat评估了模型的可靠性．鼠源雌激素硫酸转移酶的三维结构的提出对硫酸转移酶家族催化机理的深入研究提供了重要的参考信息．

简介：采用对称性破损态方法结合密度泛函理论,选用反铁磁双核配合物[Cu2（MMBPT）2Cl4（H2O）2.5]（MMBPT=3-甲基-4-对甲基苯基-5-（2-吡啶）-1,2,4-三唑）作为研究对象,通过与实验数据相比较,探讨了不同密度泛函方法与基组对计算铜配合物交换耦合常数的准确度.结果表明,4种混合密度泛函DFT（B3LYP,B3P86,B3PW91和PBE0）的计算结果都能和实验所观察到的值-31cm-1符号一致,但只有B3PW91方法得到的结果和实验结果吻合程度最好,同时采用方法B3PW91方法计算所得的交换耦合常数Jab对基组的依赖性较大.研究表明,2个Cu（Ⅱ）离子之间弱的反铁磁相互作用主要源于单占据分子轨道SOMOs小的能量劈裂.

简介：ThebindingofCo(bpy)2dppz3+tocalfthymusDNAwasinvestigatedbyusingabsorptionandemissionspectroscopy,DNAmeltingtechniques,cyclicvoltammetry,viscosityandelectro-phoresismeasurements,wherebpyis2,2’-bipyridyl,dppzisdipyrido[3,2-o:2’,3’-c]phenazine.Thebindingcompoundshowsabsorptionhypochromicity,fluorescenceenhancement,andincreasingofDNAmeltingtemperatureandthespecificviscosity.CVmeasurementshowstheshiftsinoxidation-reductionpotentialandchangeinpeakcurrentwithadditionofDNA.ThecompoundisalsoshowntobemoreefficientphotosensitisersforstrandbreaksinplasmidDNA.

简介：TheeffectofCdionsonsalmonspermDNAwasstudiedbymeansofcirculardichroism(CD),Ramanspectroscopy,X-rayphotoelectronspectroscopy(XPS)andfluorescencespectroscopy.TheCDspectralandfluorescentprobe-acriflavineresultsindicatethattheDNAunderwentaconformationchangeupontheadditionofCdions.XPSandRamanstudiesrevealthatthereexistedinteractionsbetweenCdionsandthephosphategroupsoftheDNA.Inaddition,anewbandappearedat803cm-1intheRamanspectra,whichcanbeattributedtocharacterizing"marker"bandofA-DNA.ItisconcludedthatCdionscanbecoordinatedbythephosphategroupsoftheDNAandinducetheconformationchangesoftheDNAfromB-DNAtoA-DNA.

简介：HydrolysisofDNAisanimportantenzymaticreaction,butitisexceedinglydifficulttomimicinthelaboratorybecauseofthestabilityofhydrolysisofDNA.Inthispaper,thecleavageactivityofcomplexesformedbetweenCu(Ⅱ)andfourdifferentaminoacidoraminoacidmethylesteronDNAisstudiedbygelelec-trophoresis.ItisfoundthatDNAcouldbecleavedbyCu(Ⅱ)-L-HisandCu(Ⅱ)-L-Hismethylestercomplexesandtheefficiencyofcleavageislargelydependentonthemetalion-to-ligandratio.FurtherexperimentsshowthatthecleavageofDNAmediatedbyCu(Ⅱ)-L-HiscomplexesoccursviaahydrolyticmechanismandtheactivechemicalspeciesthataffectsDNAcleavageisproposedtobeMI2H+andML2H22+.

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：AvohammetricstudyoftheinteractionofneutralRed(NR)withDNAatagoldelectrodeinaphosphatebuffersolutionisdescribed.AfteraddingDNAinanNRsolution,thereductionpeakcurrentofNRdecreases.ThebindingmeehahismsofNRtoDNAindifferentpHrangesaredifferent.ThereductionpeakpotentialofNRinapH7.0phosphatebuffersolutioninthepresenceofDNAshiftspositively,indicatingthatthebindingofNRtoDNAisintercalationaction,butatpH=6.0thereductionpeakpotentialofNRshiftsnegatively,indicatingthatthebindingofNRtoDNAiselectrostaticaction.TheformedcomplexesareDNA-NRwhen[NR]/[DNA]<0.18andDNA-3NRwhen[NR]/[DNA]>0.35,respectively.

简介：MtDNAwassuccessfullyextractedfromtenindividualbones(femurs)inthetombsofancientJushiinTurfanbasin,datedbacktotheyearabout3000-2500yearsago.Bymeansoffouroverlappingprimers,wegotnucleotidesequenceofthe218bplength.AncientmtDNAwasanalyzedbythesequencingofhypervariableregionⅠofthemtDNAcontrolregion.Theresultshowsthat9haplotypeswith24polymorphicsiteswereobtained.ThephylogeneticanalysisindicatedthatMongoliansandAltaiarethepopulationgeneticallyclosesttotheJushigroupsandJushimtDNApoolbeinganadmixtureofeasternAsianandEuropeanlineages.SoourpreliminarydataimplythatanancientminglingofEuro-AsianpopulationhadexistedinTurfanbasinpriortotheearlyIronAge.

简介：Rheumatoidfactors(RFs)arethecharacteristicautoantibodiesofrheumatoidarthritis.Recentresearchesinourlaboratoryshowedthattheimmobilizedsingle-strandedDNA(ss-DNA)immunoadsorbentcanselectivelyremoveRFsfromtheserumofpatients.Inthepresentpaperarestudiedthemodificationofargininine,tryptophan,lysineresiduesandcarboxylterminusofIgGRF,whichwasseparatedfrompatients′serum,with1,2-cyclohexanedione(CHD),N-bromosuccinimide(NBS),pyridoxal5′-phosphate(PP)and1-ethyl-3-(3-dimethylaminopropyl)-carbodiimide(EDC)respectively,andtheireffectsontheadsorptioncapacityoftheimmobilizedss-DNAimmunoadsorbentforIgGRF.Afterthespecificmodification,thecorrespondingadsorptioncapacitiesoftheadsorbentswerechangedfrom48%,46%,44%and54%to84%,14%,21%and81%,respectively.Theseresultsindicatethattheelectrostaticorionic-bondingisessentialfortheinteractionbetweenss-DNAandIgGRF.

简介：TheroleplayedbyDNAinmolecularbiologyisclearlyrecognizedtobevitaltolifeonthisplanet.8-oxo-7,8-dihydro-2deoxyguanosine(=8-OHdG),isprobablythemostimportantproductof"oxidativestress”inDNA.ItsconcentrationinDNAis,infact.aquantitativeanalysisofthedegreeofDNAdamagethatanorganismhasundergone.Duetotheimportanceof8-OHdGofnucleicacidginmutagenesis,carcinogenesisandaging,numerouschemicalandbiologicalinvestigationshavebeenmadeonthissubjectinthepasttime.Kuchinoandco-workershavefoundthat8-OHdGresidueinDNAismisreadingduringtheprocessofDNAreplication.Recently,somereportshavebeenpresentedonhigh8-OHdGlevelsinpatientssufferingfromvariousdiseasessuchaschronichepatitis,Fanconisanemia,diabetesmellitusandHelicobacterpyloriinfections.Asaresult,8-OHdGisausefulmarkerforthestudyofDNAdamagearisingfromreactiveoxygenspeciesandisofgreatsignificanceforcancerresearch.The8-OHdGlevelsinDNAcanhelpunderstandthemechanismofcarcinogensandleadtomoreeffectivetreatmentsformanydifferenttypesofcancer.Forthesereasons,ananalysisof8-OHdGwithquickness,lowcostandhighaccuracyisrequired.

简介：利用L-脯氨酸催化的5-氯水杨醛（1）与6-甲基-4-羟基吡喃酮（2）的缩合反应及硫酸铜催化下与1,3-二甲基-5-氨基吡唑（3）的串联反应,合成得到了10-氯-1,3-二甲基-5-（2-氧代丙基）色烯并[4,3-d]吡唑并[3,4-b]吡啶-6（3H）-酮（4）和10-氯-5-二乙氧基甲基-1,3-二甲基色烯并[4,3-d]吡唑并[3,4-b]吡啶-6（3H）-酮（5）.化合物5的结构通过单晶X射线衍射法确定：晶体属于三斜晶系,空间群P-1;相对分子质量Mr=803.68;晶胞参数a=1.03160（10）nm,b=1.42900（13）nm,c=1.44268（15）nm;V=1.9448（3）nm~3;Z=2;晶胞密度Dc=1.372g/cm~3;吸收系数μ=0.228mm-1;单胞中电子的数目F（000）=840.晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最终的偏离因子为R=0.0681,wR=0.2051.在晶体结构中色烯环与吡啶环及吡唑环近似于共平面.

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简介：2,2’-二（1,1’-4-甲基-吡啶）联咪唑（L）、芳香二羧酸与乙酸镉在水热条件下反应得到了配位聚合物[Cd2（L）（p-bdc）2（H2O）2]n（1）和[Cd（L）0.5（m-bdc）]n（2）,并用单晶衍射仪定义了其晶体结构.结构分析表明,配合物1结晶属于正交晶系,Ibca空间群,配合物2结晶属于单斜晶系,C2/c空间群,进一步分析表明,所合成的2个化合物都是有扭曲α-Po拓扑的三维网络结构.在室温条件下,配体L和2个配合物均表现出较好的荧光性质.

简介：标题化合物（C24H16N4S）以噻吩-2-甲醛、苯甲酰乙腈和3-甲基-1-苯基-1H-吡唑-5-胺为原料,在离子液体[bmim]Br溶剂中,在80℃搅拌合成得到.其结构通过单晶X射线衍射法确定,晶体属于三斜晶系,空间群P-1,相对分子质量Mr=392.47,晶胞参数a=0.93612（8）nm,b=1.03063（12）nm,c=1.16624（16）nm,V=0.96853（19）nm3,Z=2,晶胞密度Dc=1.346g/cm3,吸收系数μ=0.185mm-1,单胞中电子的数目F（000）=408.晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最终的偏离因子R=0.0585,wR=0.1337.在晶体结构中新形成的吡啶环与吡唑环近似于共平面结构.

简介：Thedye-dopedsilicananoparticlescanbeusedasnanobiosensorsthatareabletorecognizeanddetectspecificDNAsequence.Inthispaper,sphericalnanosizedluminol/SiO2compositeparticleshavebeensynthesizedwithreversemicellsviahydrolysisoftetraethylorthosilicate(TEOS)inthemicroemulsion.ThenanoparticlesweremodifiedwithchitosanandusedtolabelDNA,formingtheDNAprobewhichwasusedtohybridizewithtargetDNAimmobilizedonaPPymodifiedPtelectrode.Thehybridizationeventswereevaluatedbyelectrogeneratedchemiluminescence(ECL)measurementsandonlythecomplementarysequencecouldformadouble-strandedDNA(dsDNA)withDNAprobeandgivestrongECLsignals.Athreebasemismatchsequenceandanon-complementarysequencehadalmostnegligibleresponses.Duetothelargenumberofluminolmoleculesinsidesilicananoparticles,theassayallowsdetectionatlevelsaslowas2.0×10^-12mol/LofthetargetDNA.TheintensityofECLwaslinearlyrelatedtotheconcentrationofthecomplementarysequenceintherangeof5.0×10^-12—1.0×10^-9mol/L.

简介：Hereinwedemonstratetheconstructionofthreetypesofparallelgoldnanorod(AuNR)clustersusingaDNAorigamirod(DOR)asthetemplate.BasedontheprecisecontroloverthepositionofcapturestrandsonDOR,numberandorientationoftheAuNRclusterscanbewellengineered,asevidencedbybiologicaltransmissionelectronmicroscope(TEM).Importantly,theAuNRclustersexhibitchiropticalresponseswhicharestronglyaffectedbythenumberofAuNRonrod-likeDNAorigami.

简介：新奇建筑群[公司(phen)2HPlP]Cl3[phen=phenanethroline，HPIP=2-(2-hydroxyphenyl)imidazo[4,5-f][l，10]phenanethroline]被元素的分析综合了，在结构上描绘了，紫外，红外和1HNMR光谱学。有小牛胸腺DNA(CTDNA)的建筑群的相互作用被学习了使用吸收和排放光谱学，DNA融化技术和周期的voltammetry。混合物看吸收hypochromicity，荧光改进和DNA融化温度增长是否有约束力到CTDNA。CV测量与DNA的增加在山峰电流在减小潜力和一个变化显示出移动。这些结果证明混合物插入到DNA基础对的地席。山峰潜力的移动显示在建筑群和DNA之间的离子相互作用模式。到DNA的混合物的有约束力的常数是4.37灳慬瑮?郥誸???蚰铧?髧??螻?趤??藥???藥薗郧芀漀椭吗？？

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