简介：TwoseriesofterritremBanalogues(10a-10cand18)havebeendesignedandsynthesizedfromjujubogenin5awhichwaspreparedfromjujubogeninglycosides5bobtainedfromtheleavesofZizyphusjujuba.Thestructuresofthenewcompoundswereconfirmedby1H-,13C-NMRandMSdata.Compounds10cand18showedweakinhibitoryeffectonAChEat10^-4mol/E.
简介：The2-C,methylenegroupof1-aroyl-1,2-dihydro-3H-naphtho[2,1-b]pyran-3-ones(2)havebeenshowedtopossessasuperiorreactivitytowardsmanyoforganicreagents.Thena-phthopyrones(2)condensedwitharomaticaldehydestogivethe2-arylidinederivatives(3).Bromin-ationof2gave1,2-dibromo(4)or5-bromo(5)derivativesdependingonthereactionconditions.Thebasecatalyzedadditionorcycloadditionofnaphthopyrones(2)to4-methoxybenzalacetophenonegavetheexpectedMichaeladduct(6)orthecyclicadducts(7-9)dependingonthetypeofcatalyticbaseandreactionconditions.Structuresoftheproductshavebeenestablishedbyelementalanalyses,IRand~1HNMRspectroscopicmethods.
简介：Halfsandwichirondicarbonylcomplex[η5-C5H3(t-Bu)2]Fe(CO)2Cl(1)reactswith1,2-dilithiumdiselenocarboraneLi2Se2C2B10H10(2)togiveabinuclearironcarboranecomplex[η5-C5H3(t-Bu)2]2Fe2(CO)3*Se2C2B10H10(3).TheX-raydiffractionanalysisofcomplex3revealsthatoneoftheironatomsischiral.
简介：AbinitiomolecularorbitalcalculationsofdoublynegativechargedB16H162-(D2)andneutralB16H16(Td)havebeendoneattheHF/6-31Glevel.TheyarepredictedtobechemicallyandkineticallystablebyvibrationalanalysesontheirrespectiveenergyhypersurfaceoftheHF/6-31Glevel.ThegeometricalstructureofthespeciesB16H1622-(D2)wasdiscussed.
简介：对化合物[Na_2（H_2O）_（10）][Cu_4（H_2O）_（12）（H_2W_（12）O_（42））]·15H_2O（简称Na_2Cu_4W_（12））进行了体外抗肿瘤活性研究.应用四甲基偶氮唑盐（3-[4,5-dimethylthiazo-2-y]-2,5-diphenyltetrazoliumbromide,MTT）比色法分析Na_2Cu_4W_（12）对人肝癌细胞（HepG2）、人神经母细胞瘤细胞（SHY5Y）增殖抑制活性.采用光学显微镜观察肿瘤细胞的凋亡形态变化,用流式细胞术分析细胞周期和细胞凋亡,计算各期细胞比例及细胞凋亡率.结果表明,Na_2Cu_4W_（12）对HepG2和SHY5Y2种肿瘤细胞增殖半数抑制浓度IC_（50）值分别为5.3和10.2μmol·L~（-1）,且呈剂量依赖性.光学显微镜下处理组细胞出现皱缩、变圆、缩小等形态变化,不同浓度Na_2Cu_4W_（12）处理12h早期凋亡细胞所占的百分比显著增加且呈剂量依赖性.综上所述,Na_2Cu_4W_（12）能够抑制胞瘤细胞增殖,诱导细胞凋亡.
简介：采用密度泛函方法对11顶点巢式碳硼烷C2B9H112-异构体进行了几何结构优化,分析了稳定性、电荷分布及分子轨道.结果表明,9个异构体都有对应的稳定构型,保持了巢式骨架结构.C取代开口五元环上B的异构体更稳定,且随取代数目增加和C原子间距增加而增加,C—C键和C—B键作用增强.C取代内层B使异构体稳定性降低,C—C键和C—B键长随之增长.负电荷主要集中在C原子上,开口五元环上的C原子上负电荷要比内层C原子更多,成为亲核取代反应中心.异构体分子前线轨道具有和η5-C5H5-相似的π键性质,ΔELUMO-HOMO反映的化学稳定性与结构能量稳定性趋势一致.
简介：3-(2-Hydroxyphenyl)-6-(4-nitrophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine,C16H11N5O3S,waspreparedbythecyclizationof3-(2-hydroxyphenyl)-4-amino-5-mercapto-1,2,4-triazolewith2-bromo-4-nitroacetophenone.Thecompoundwascharacterizedbymeansofelementalanalysis,IR,1HNMR,13CNMR,massspectrometry,andX-raydiffraction.ThecompoundcrystallizesinamonoclinicsystemwithspacegroupCc,a=2.1853(4)nm,b=2.1192(5)nm,c=1.3526(3)nm,β=95.21(2)°,V=6.238(2)nm3,Dcalcd.=1.505Mg/m3,Z=16,F(000)=2916,R1=0.0501,wR2=0.0427.Acomparisonbetweenthecrystalstructuresof1,2,4-triazolo[3,4-b][1,3,4]thiadiazineand1,2,4-triazolo[3,4-b][1,3,4]thiadiazolewasmadeinthestructuralview.Atwo-dimensionalnetworkisformedbyhydrogenbondsandπ-πstackinginteractions.
简介：Twonewdicyanamidecoordinationpolymers,{Mn(dmpz)[N(CN)2]2}2(1)and{Cu(dmpz)[N(CN)2]2}2(2)(dmpz=3,5-dimethylpyrazole),weresynthesizedandcharacterizedbysinglecrystalX-raydiffractionanalysisandIRspectroscopy.In1and2themetalionshavetwodifferentcoordinationmodes,whereoneiscoordinatedtofourdicyanamideanionsandtwomonodentatedmpzmoleculestoformaslightlydistortedoctahedralgeometry,whiletheotheradoptsoctahedralgeometry,surroundedbyfournitrileNatomsandtwoamideNatomsofthedicyanamideanions.Bothcomplexescontaintwoalternatingchainsthatareparalleltoeachother.
简介：8,8′-Dibromo-6,6′,7,7′-tetramethoxy-5,5′-diisopropyl-3,3′-oxydimethylenedinaphtho[2,1-b:2′,1′-d]furan,C32H30Br2O;M.W.=670;triclinic;spacegroupP1;a=8.896（2）,b=10.216（1）,c=10.423（1）A,α=108.48（1）,β=119.36（1）,γ=99.26（1）;V=723.5A3;Z=1,Dcal.=1.479g.cm-3.MoKα=28.11cm-1,F（000）=326,T=293K.Thestructurewassolvedbydirectmethodandfull-matrixleast-squaresrefinementconvergedatR=0.034for2377observedreflections.Theoxygenatominseven-memberedringexistsinadisorderedarrangement.Bothbisnaphthaleneandoxygen-containingfive-memberedringhaveplanarconformationswithdihedralangle6°,showingmarkedaromaticfeature.
简介：ThecrystalstructureofDi-nitratobis（ethylcaprolactam）uranyl（Ⅱ）UO2[CH2（CH2）4CONC2H5]2（NO3）2wasestablishedbyasingle-crystalX-raydiffractionstudy.Itistriclinie,spacegroupP1,witha=7.171（2）,b=8.655（3）,c=10.182（5）A,α=78.27（3）,β=70.63（3）,γ=81.76（3）°,V=581.7（4）A3,Z=l,Dc=1.94g.cm-3.FinalRvalueis0.0218.Theresultrevealsthaturanylioniscoordinatedtosixoxygenatoms,twoofthemarefromtwocarbonylgroupsofethylcaprolactamandtheotherfourarefromtwonitrategroups.
简介： Enantioimericallypure1,l'-bi-2-naphthol(BINOL)1anditsderivativesareimportantchiralligandsandauxiliariesforanumberofasymmetrictransformations1suchasaldolcondensations,alkylations,Diels-Alderreactions,Michaeladditions,epoxidations,etc.Opticallypure1andtheirderivativeshavealsobeenusedextensivelyinchiralrecognition,chiralseparationandintheconstructionoffunctionalisedmaterials2.Furthermore,(R)-and(S)-BINOLarealsofundamentalstartingmaterialsforthesynthesisofalargevarietyofotherchiralbinaphthylssuchasMOP(2c),NOBIN(2d)andBINAP(2e).Asaresultthedevelopmentofefficientandeconomicmethodsforthepreparationofopticallypure1hasattractedmuchattentioninrecentyears3andnovelmethodsfortheresolutionof(±)-1continuetobedeveloped.……
简介：Themononuclearcomplex,[NtCl2(trzCHzCHzCOPh)4]·6H2O(trz=1,2,4-triazole),wassynthesizedanditsstructurewasdeterminedbysinglecrystalX-raydetermination.Itcrystallizesinthemonoclinicsystem,spacegroupP21/c,withlatticepa-rameters:a=0.80391(2)nm,b=1.06215(2)nm,c=2.90133(2)nm,β=94.792(1)°andZ=2.EachnickelatomiscoordinatedbyfourNatomsoftriazolefromfourβ-(1,2,4-IriHole-1-yl)propiophenoneligandsandtwochlorideanionsinarrangementwithoctahedralcoordinationgeometry.Inadditiontothecoordinatingnickelcomplex,therearesixunco-ordinatedwatermolecules.TheNi—Ndistanceis0.24865(8)nmandtheNi—Ndistaneesareintherangeof0.2072(2)to0.2099(2)nm,respectively.Inthesolidstate,theUtiecom-poundformsthreedimensionalnetworkstructurethroughhy-drogenbonds.Theintermolecularhydrogenbondsconnectthe[NiCl2(C2H2N3CH2CH2COPh)4]andH2Omoieties.Thedeepgreencrystalswerealsoexaminedbyelementalanalysis,FT-IRandUVspectra,whichareinagreementwiththestructuralda-ta.
简介：AsimplespectrophotometricassayofH2O2andglucoseusingAgnanoparticleshasbeencarriedout.RelyingonthesynergisticeffectofH2O2reductionandultraviolet(UV)irradiation,Agnanoparticleswithenhancedabsorptionsignalsweresynthesized.H2O2servedasareducingagentintheAgnanoparticlesformationinwhichAg+wasreducedtoAg0byO2àgeneratedviathedecompositionofH2O2inalkalinemedia.Ontheotherhand,photoreductionofAg+toAg0underUVirradiationsalsocontributedtothenanoparticlesformation.ThesynthesizednanoparticleswerecharacterizedbyTEM,XPS,andXRD.TheproposedmethodcoulddetermineH2O2withconcentrationsrangingfrom5.010à7to6.010à5mol/L.Thedetectionlimitwasestimatedtobe2.010à7mol/L.SincetheconversionofglucosetogluconicacidcatalyzedbyglucoseoxidasewascompaniedwiththeformationofH2O2,thesensingprotocolhasbeensuccessfullyutilizedforthedeterminationofglucoseinhumanbloodsamples.Theresultswereingoodagreementwiththosedeterminedbyalocalhospital.Thiscolorimetricsensorthusholdsgreatpromisesinclinicalapplications.
简介：Thecopper(Ⅱ）complex[Cu3(nta)2(azpy)2(H2O2)]·6H2O(nta=nitrilotriacetate,azpy=4,4′-azobispyridine)hasbeensynthesizedandcharacterized.TheX-rayanalysisrevealsthattherearetwokindsofcopper(Ⅱ）coordinationenvironments.Cu(1)hasadistortedsquareplanesymmetryandCu(2)hasadistortedoctahedralsymmetry.Cu(1)islinkedtoCu(2)throughntaandboundtoCu(1C)byazpy,andCu(2)islinkedtoCu(2A)throughazpy,whichextendstotwo-dimensionalnetworkwithlargerhombus1.2nm×1.7nm.
简介：The2-Dheteronuclearcoordinationpolymer{[Ag4Fe2(SCN)12(H2O)2][(inaH)2(H2O)2]}n(1)(inaHistheabbreviationofprotonatedisonicotinicacid)withchemicalformulaC24H20Ag4Fe2N14O8S12hasbeensynthesizedandcharacterizedbysinglecrystalX-raydiffraction,elementalanalysisandIRspectroscopy.TheAgES2ringsconnecttwokindsofoctahedralgeometriesofFe(Ⅲ)ions,[Fe(NCS)6]^3-and[Fe(H2O)E(NCS)4]^-unitswithbridgingthiocyanateionsleadingto2-D[Ag4Fe2(SCN)12(H2O)2]^2-anionframework.Fourkindsofringsincludingtheunprecedentedthirty-twomemberedAg4Fe4(SCN)8ringssharecomersoredgesinthe2-Danionlayerstructure.AllthiocyanatescoordinatetothemetalionsaccordingtotheHSABprinciplewithNatomsbindingtotheFe(Ⅲ)ionsandwithSatomsbindingtoAg(I)ions.Pronoatedinacationsstabilizethelayerstructureascounterionsandhydrogenbondswereformedwithinthepronoatedinacationsdimerandbetweenthedimersandthelatticewaters.Crystaldata:Mr=1560.44,triclinic,P-↑1,a=0.76082(1)nm,b=0.9234nm,c=1.85611(4)nm,α=103.0170(10)°,β=93.7780(10)°,γ=97.4080(10)°,V=1.25385(3)nm^3,Z=1,μ(MoKα)=2.650mm^-1,Dc=2.067g·cm^-3,F(000)=758,R1=0.0412,wR2=0.1003.
简介：SodiumdithioniteinitiatedsulfinatodehalogenationofBrCF2CF2Risstudied.
简介：Thecanonicalandlocatizedmolecutarorbitersof[NCCuS2NoS2]2-clusterwerecalculatedbymeansofCNDOquantumchemistrymethod.Thentheenergyandpropertiesofcorrespondingchemicatbondswerediscussed,especially,Cu-Sb-NothreecenterconjugatedπbondsandNo-St-Noconjugatedπbondswereaccountedfor.
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![A novel <b style='color:red'>2</b>-C reactivity studies of 1-aroyl-l,<b style='color:red'>2</b>dihydro-3H-naphtho[<b style='color:red'>2</b>,1-<b style='color:red'>b</b>]pyran-3-ones](/image/thesis2 "A novel <b style='color:red'>2</b>-C reactivity studies of 1-aroyl-l,<b style='color:red'>2</b>dihydro-3H-naphtho[<b style='color:red'>2</b>,1-<b style='color:red'>b</b>]pyran-3-ones")
![Convenient Synthesis of Substituted Quinoxalines and <b style='color:red'>2</b>H-Benzo[<b style='color:red'>b</b>][1,4]oxazines in Water](/image/thesis3 "Convenient Synthesis of Substituted Quinoxalines and <b style='color:red'>2</b>H-Benzo[<b style='color:red'>b</b>][1,4]oxazines in Water")
![Synthesis, Structure and Characterization of a Novel Asymmetrical Half-sandwich Binuclear Iron Carborane Complex [η5-C5H3(t-Bu)<b style='color:red'>2</b>]<b style='color:red'>2</b>Fe<b style='color:red'>2</b>(CO)3Se<b style='color:red'>2</b>C<b style='color:red'>2</b><b style='color:red'>B</b>10H10](/image/thesis4 "Synthesis, Structure and Characterization of a Novel Asymmetrical Half-sandwich Binuclear Iron Carborane Complex [η5-C5H3(t-Bu)<b style='color:red'>2</b>]<b style='color:red'>2</b>Fe<b style='color:red'>2</b>(CO)3Se<b style='color:red'>2</b>C<b style='color:red'>2</b><b style='color:red'>B</b>10H10")
![Catalytic Asymmetric Hydrogenation of Ethyl <b style='color:red'>2</b>-（Benzo[<b style='color:red'>b</b>]thiophen-5-yl）-<b style='color:red'>2</b>-oxoacetate with Ru-SunPhos in the Formal Synthesis of T-588](/image/thesis6 "Catalytic Asymmetric Hydrogenation of Ethyl <b style='color:red'>2</b>-（Benzo[<b style='color:red'>b</b>]thiophen-5-yl）-<b style='color:red'>2</b>-oxoacetate with Ru-SunPhos in the Formal Synthesis of T-588")
![新型仲钨酸盐-<b style='color:red'>B</b>化合物[Na_<b style='color:red'>2</b>（H_<b style='color:red'>2</b>O）_（10）][Cu_4（H_<b style='color:red'>2</b>O）_（12）（H_<b style='color:red'>2</b>W_（12）O_（42））]·15H_<b style='color:red'>2</b>O体外抗肿瘤活性研究](/image/thesis7 "新型仲钨酸盐-<b style='color:red'>B</b>化合物[Na_<b style='color:red'>2</b>（H_<b style='color:red'>2</b>O）_（10）][Cu_4（H_<b style='color:red'>2</b>O）_（12）（H_<b style='color:red'>2</b>W_（12）O_（42））]·15H_<b style='color:red'>2</b>O体外抗肿瘤活性研究")
![Preparation and Crystal Structure of 3-（<b style='color:red'>2</b>-Hydroxyphenyl） -6- （4-nitrophenyl）-7H- 1,<b style='color:red'>2</b>,4-triazolo[3,4-<b style='color:red'>b</b>][1, 3,4]thiadiazine](/image/thesis9 "Preparation and Crystal Structure of 3-（<b style='color:red'>2</b>-Hydroxyphenyl） -6- （4-nitrophenyl）-7H- 1,<b style='color:red'>2</b>,4-triazolo[3,4-<b style='color:red'>b</b>][1, 3,4]thiadiazine")
![Two New Dicyanamide Coordination Polymers with Alternating Parallel Chains： {Mn（dmpz）[N（CN）<b style='color:red'>2</b>]<b style='color:red'>2</b>}<b style='color:red'>2</b> and {Cu（dmpz）[N（CN）<b style='color:red'>2</b>]<b style='color:red'>2</b>}<b style='color:red'>2</b>](/image/thesis10 "Two New Dicyanamide Coordination Polymers with Alternating Parallel Chains： {Mn（dmpz）[N（CN）<b style='color:red'>2</b>]<b style='color:red'>2</b>}<b style='color:red'>2</b> and {Cu（dmpz）[N（CN）<b style='color:red'>2</b>]<b style='color:red'>2</b>}<b style='color:red'>2</b>")
![The crystal structure of a new gossypol derivative-8,8’-dibromo-6,6’7,7’-tetramethoxy-5,5’-diisopropyl-3,3’-oxydimethylene dinaphtho[<b style='color:red'>2</b>,1-<b style='color:red'>b</b>:<b style='color:red'>2</b>’,l’-d]furan](/image/thesis11 "The crystal structure of a new gossypol derivative-8,8’-dibromo-6,6’7,7’-tetramethoxy-5,5’-diisopropyl-3,3’-oxydimethylene dinaphtho[<b style='color:red'>2</b>,1-<b style='color:red'>b</b>:<b style='color:red'>2</b>’,l’-d]furan")
![CRYSTAL STRUCTURE OF DI - NITRATOBIS（ETHYLCAPROLACTAM）URANYL（Ⅱ） UO<b style='color:red'>2</b>[CH<b style='color:red'>2</b>（CH<b style='color:red'>2</b>）4CONC<b style='color:red'>2</b>H5]<b style='color:red'>2</b>（NO3）<b style='color:red'>2</b>](/image/thesis12 "CRYSTAL STRUCTURE OF DI - NITRATOBIS（ETHYLCAPROLACTAM）URANYL（Ⅱ） UO<b style='color:red'>2</b>[CH<b style='color:red'>2</b>（CH<b style='color:red'>2</b>）4CONC<b style='color:red'>2</b>H5]<b style='color:red'>2</b>（NO3）<b style='color:red'>2</b>")
![Structure of Tetra[β-（1,<b style='color:red'>2</b>,4-triazole-l-yl） propiophenone ] Dichloro NiCkel（Ⅱ） Solvate Hexahydrate Complex：[NiCl<b style='color:red'>2</b> （ C<b style='color:red'>2</b>H<b style='color:red'>2</b>N3CH<b style='color:red'>2</b>CH<b style='color:red'>2</b>-COPh） 4 ]·6H<b style='color:red'>2</b>O](/image/thesis14 "Structure of Tetra[β-（1,<b style='color:red'>2</b>,4-triazole-l-yl） propiophenone ] Dichloro NiCkel（Ⅱ） Solvate Hexahydrate Complex：[NiCl<b style='color:red'>2</b> （ C<b style='color:red'>2</b>H<b style='color:red'>2</b>N3CH<b style='color:red'>2</b>CH<b style='color:red'>2</b>-COPh） 4 ]·6H<b style='color:red'>2</b>O")
![Synthesis,Structure and Characterization of Two—dimensional Network Copper Complex [Cu3（nta）<b style='color:red'>2</b>（azpy）<b style='color:red'>2</b>（H<b style='color:red'>2</b>O）<b style='color:red'>2</b>]·6H<b style='color:red'>2</b>O](/image/thesis16 "Synthesis,Structure and Characterization of Two—dimensional Network Copper Complex [Cu3（nta）<b style='color:red'>2</b>（azpy）<b style='color:red'>2</b>（H<b style='color:red'>2</b>O）<b style='color:red'>2</b>]·6H<b style='color:red'>2</b>O")
![Synthesis and Crystal Structure of a Two-dimensional Silver（Ⅰ）-Iron（Ⅲ） Heteronuclear Coordination Polymer： {[Ag4Fe<b style='color:red'>2</b>（SCN）12（H<b style='color:red'>2</b>O）<b style='color:red'>2</b>] [（inaH）<b style='color:red'>2</b>（H<b style='color:red'>2</b>O）<b style='color:red'>2</b>]}n](/image/thesis17 "Synthesis and Crystal Structure of a Two-dimensional Silver（Ⅰ）-Iron（Ⅲ） Heteronuclear Coordination Polymer： {[Ag4Fe<b style='color:red'>2</b>（SCN）12（H<b style='color:red'>2</b>O）<b style='color:red'>2</b>] [（inaH）<b style='color:red'>2</b>（H<b style='color:red'>2</b>O）<b style='color:red'>2</b>]}n")
![LOCALIZED STUDIES ON ELECTRONIC STRUCTURE AND CHEMICAL BOND FOR [NCCuS<b style='color:red'>2</b>MoS<b style='color:red'>2</b>]<b style='color:red'>2</b>- CLUSTER](/image/thesis19 "LOCALIZED STUDIES ON ELECTRONIC STRUCTURE AND CHEMICAL BOND FOR [NCCuS<b style='color:red'>2</b>MoS<b style='color:red'>2</b>]<b style='color:red'>2</b>- CLUSTER")