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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：多保护是在安全管理的一个原则，并且反爆炸的使用和耐火的代理人是它的关键部分。在这份报纸，反爆炸的领域里的nano氧化物粒子的性质并且耐火被分析。纳米粒子的沉积速度是计算的。CH4作为一个例子被拿，并且它起始的阶段的燃烧机制被结束。反应系统的分子的精力上的15氧化物的效果与程序Hyperchem6被计算，并且在激进分子和氧化物之间的可能的接触方式被得到。氧化物例如ZrO2，能与激进分子结合，这被结束，并且因此阻止燃烧反应。nano-ZrO2暴发地产生了喷雾器，这被发现比在用作反爆炸和耐火的代理人的另外的对应物优异，因此，将在安全管理起一个日益重要的作用。

简介：HeteroatomM-ZSM-12zeolites(M=B,Al,Ge,Ga,Fe)arehydrothermallysynthesizedanditisprovedthattheheteroatomMisinvolvedintheframeworkofsynthesizedmolecularsievesbymeansofXRD,IRspectra.TheresultsofadsorptionanddiffusionexperimentsindicatethattheheteroatomMmodifiestheporevolume,specificsurfacearea,andthechannelofZSM-12molecularsieves.

简介：EachofKeggintypeheteropolytungstosilicicandheteropolytungstogermanicacidsreactedwith8-quinolinol,p-aminodimethylanilineandpyridine,respectively,yieldingsixchargetransferheteropolycomplexes(CTHPCs),whichwerepurifiedandcharacterizedbyelementalanalysis,IR,UVand183WNMR.Theanti-HIV-1activitiesofCTHPCswereevaluatedbyELISAofHIV-P24antigen.ThetoxicityagainstMT-4cellswasmeasuredbyMTT.Theresultsshowthatmedianinhibitoryconcentration(IC50)foreachCTHPCtoinhibitHIV-P24antigenincellculturewaslowerthan5μg/mL,whilemediantoxicityconcentration(IC50)againstMT-4cellswashigherthan268μg/mL.Thefollowingmechanismsmightbeconsideredfortheiranti-HIV1activity,namely,(1)inhibitingthepenetrationofHIV-1virusintotargetcellsforitcanblockadeCD4receptorofMT-4cellsand(2)inhibitionofsyncytiumformation.

简介：电气化学的实验被执行测试铝锌的腐蚀率热剧降的涂层。5.3%铝锌合金(重量比率)有优异耐蚀性质，这被显示出。坚定的微观结构显示了由纳米组成的非结晶的结构系统的大小的粒子。分析显示了5.3%铝锌系统的吉布斯精力的大否定变化。分子的动力学模拟证明5.3%铝锌系统从另外的系统有很不同的行为。这个特别系统的阶段转变从模拟被观察。转变温度在400K附近被决定。模拟显示5.3%铝锌系统在从300～900K的温度范围上是非结晶的，支持从铝锌合金的非结晶的固体有的实验的推理特殊耐蚀特性。

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

简介：CardiactroponinI(cTnI)wasseparatedandpurifiedfromhumanleftventriculartissuebyaffinitychromatographicmethodandusedtoimmunizeBalb/cmicebyintraperitonealinjectionandfourhybridomacelllines,whichsecretedmonoclonalantibody(mAb)againsthumancTnI,wereobtainedbycellfusion,identificationandcloningtwice.ThreemAbs(9F5,2F11,8C12)wereproducedfromtheascitesofBalb/cmiceinjectedintraperitoneallythehybridomacellsandcharacterizedbymeansofasurfaceplasmonresonance(SPR)biosensor.AnoptimalandspecificsensingmembranefortroponinIwaspreparedwithstaphylococcalproteinA(SPA)astheintermediatelayerandmAbagainsthumancTnIasthecaptureantibody.Onthebasisofthesensingmembrane,twomodesofoperationoftheSPRbiosensorweredeveloped,i.e.,adirectdetectionofantigen-antibodyaffinityandasandwichassay.Inthesandwichassaydetectionmode,themAbscompetitionwasmeasuredbymonitoringwhetherthesecondaryantibodyhadbeenattachedtothecTnIalreadycapturedbythefirstantibodyonthesensorsurface.TheSPRbiosensorwasshowntobeabletodirectlydetecttheantigen-antibodyaffinityandtheorderoftheaffinitywasfoundtobe9F5＞2F11＞8C12.Inthesandwichdetectionmode,itwasfoundthatthedifferentepitopesonthecTnImoleculeswererecognizedbythethreemAbsrespectively,buttheasymmetricalcompetitionwasshownbetween2F11and8C12andnocompetitionwasfoundbetween9F5and2F11or8c12.Basedontheseresults,adoublemonoclonalsandwichimmunoassayforcTnIwasdevelopedbyusingtheoptimalantibodypairof9F5and2F11andtheSPRbiosensorwithSPAsubstratemembrane,whichshowedanexcellentsensitivityof0.8μg/LforboththebufferandtheserumsamplescomparedwiththedirectdetectionofcTnIforthebufferwiththelowestdetectionlimitof4μg/LandconventionalELISAwiththesensitivityof1.9μg/L.

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简介：Aseriesofnewflavanonederivativesoffarrerolwasdesignedandsynthesizedasapotentinhibitorofvascularsmoothmusclecells(VSMCs)vegetationaccordingtoaconvenientmethod.Thestructuresofallthesynthesizedcompoundswereconfirmedby1HNMR,13CNMRandEIHR-MS.ThebiologicalactivitiesofthesecompoundsagainstVSMCsinvitrowereevaluated.Theassayresultsindicatethattwocompounds,5,7-dihydroxy-6,8-dimethyl-2-(2-nitrophenyl)chroman-4-one(7f)and2,3-dibromo-4,5-dihydroxydiphenylmethanone(7j)exhibitedhighactivityagainstVSMCsinvitrowithIC50valuesof9.9and6.7μmol/L,respectively,andthepreliminarystructure-activityrelationship(SAR)wasdescribed.

简介：利用杂化密度泛函方法B3LYP结合6-311＋＋g（2df,2p）基组研究了（H2O）m（HBr）n（m＋n≤4）混合团簇的结构及红外光谱.确定了团簇的稳定结构以及键能,发现分子间以红移氢键的形式结合形成混合团簇,且H2O分子个数为3时HBr发生解离.理论模拟了稳定结构的红外光谱,并分析了红外光谱主要吸收峰所对应的振动模式.通过自然键轨道（NBO）分析发现了红移氢键是由质子供体与质子受体间的超共轭作用决定的.

简介：Anewcerebroside,1-O-(β-D-glucopyranosyloxy)-(2S,3R,4E,8Z)-2-[(2′R)-2’-hydroxylignoceranoylamino]-4,8-tetradecene-3-diolwasisolatedfromthe60%EtOHextractoftraditionalChinesemedicalplantCyperusrotundusL.Itsstructurewasdeterminedonthebasisofspectroscopicdata.Thisnewcompoundshowedanti-proliferationeffectonvascularsmoothmusclecells(VSMCs).

简介：Bytheadditionalreactionofbinuclearcompounds(Me4N)2M2S4(TDT)2(M=Mo,W;H2TDT=H2CH3C6H3S2)withmononuclearcuprouscomplex,twonewM-Cu-SclustersMo2Cu2S4(TDT)2-(PPh3)2·CH3CH2OH(1)andW2Cu2S4(TDT)2(PPh3)2·0.5CH3CH2OH-0.5H2O(2)havebeenpreparedandcharacterizedbyIR,UV-Vis,31PNMRspectroscopy,cyclicvoltammetryandsinglecrystalX-raystructureanalysis.BothcompoundscrystallizeinspacegroupP21/nwithlatticeparametersa=1.0956(3),b=2.2072(3),c=2.4340(3)nm,β=100.36(2)°,V=5.790(3)nm3andZ=4for1anda=1.0965(9),b=2.2135(3),c=2.4317(4)nm,β=99.63(8)°,V=5.819(8)nm3andZ=4for2.Bothmolecularstructurescontainacubane-likeclustercore[M2Cu2S4](M=Mo,W)andtheirskeletonsarealmostthesameexceptforMatoms.Thesyntheses,structuresandspectrumcharacterizationsofthesetwoclustersarediscussed.Thethird-ordernonlinearoptical(NLO)propertyofthetwoclusterswasstudiedbythetechniqueofforwarddegeneratefour

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简介：采用UMP2/6-311＋G（3df）方法研究了一系列化合物M_（n＋1）F_n（n=1,2;M=Na,K）体系的几何构型及非线性光学性质（NLO）.结果表明：这些体系均为超价化合物,均拥有较大的第一超极化率（β_0）.尤其是Na_3F_2体系中结构2c的β_0值为29.16×10~（-49）C~3·m~3·J~（-2）,是已知超价化合物Li_3F_2的2c结构的β_0值2.22×10~（-49）C~3·m~3·J~（-2）的13.1倍.

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简介：Anovelaciddyeacidwassynthesizedbythecondensationreactionbetweenbromamineacidand2-amino-6-nitrobenzothiazoleanditsanti-UVprotectionpropertieswereevaluated.Theresultsshowedthatsilkdyedwiththisdyehadverygoodultravioletradiationprotectioncapabilityandexcellentdyeingperformance.TheUV-absorptionmechanismofthisdyewasalsodiscussed.