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：Thetitlecomplexi-C4H9Co（salen）（Py）（Py=pyridine.salen=dianionofdisalicylideneethylenediamine）hasbeenfirstsynthesized.ItscrystalstructurehasbeendeterminedbyX-raydiffractionmethod.ThecrystsisaremonoclinicwithspacegroupP21/C.Theunitcellparametesarepresented.ThestructurehasbeenrefinedtoafinalRof0.038.
简介：ＳＹＮＴＨＥＳＩＳＯＦ３－ＡＲＹＬ－１（２Ｈ，４Ｈ）ＡＣＲＩＤＯＮＥＳＡＮＤＴＨＥＩＲＤＥＲＩＶＡＴＩＶＥＳ￥ＲｏｎｇＹＩＮ；ＧｕａｎｇＦａｎＨＡＮ；ＹｕＴｉａｎＬＩ（ＤｅｐａｒｔｍｅｎｔｏｆＭｅｄｉｃａｌＬａｂｏｒａｔｏｒｙ，ＪｉｌｉｎＭｅｄｉｅａ...
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：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：Thispaperreportstwolanthanidecomplexesofformula（C9H7）Ln（C8H8）·（THF）2whereLnisProrNd,C9H7isindenyl,andC8H8iscyclooctatetraene（COT）.ThecomplexeswerepreparedbythereactionofLnCl3withK（C9H7）andK2（C8H8）inTHF.（C9H7）Pr（C8H8）·（THF）2crystallizesinTHFat-15℃inthemonoclinicspacegroupP21:withunitcelldimensionsa=8.446（0）,b=10.083（2）,c=13.407（3）,β=105.48（1）°,V=1100.43（35）3,Dc=1.52g/cm3andZ=2.ThefinalRvalueis0.033,Rwvalueis0.030,respectively.In（C9H7）Pr（C8H8）·（THF）2afive-memberedringcentroidofC9H7,theC8H8ringcentroidandthetwooxygenatomsfromthetwoTHFmoleculesformadistortedtetrahedralgeometryaroundthemetal.
简介：Thesolidaddofthefirstprotonatedzincoborophosphate,(H3O)Zn(H2O)2BP2O8·H2O(1),wassoventothermallysyn-thesizedbythereactionofZn(NO3)2·6H2OandH3BO3withH3PO4inamixedsolvent,andstructurallycharacterizedbysingle-ystalX-raydiffractionanalysis.ItcrystallizesinthehexagonalP6122,a=0.9604(4)nm,c=1.5297(6)nm,V=1.2218(8)nm^3,Dc=2.921g/cm^3,Z=6,F(000)=1080,μ=3.495mm^-1.Thestmchwefeaturesthatthetetrahedra-te-trahedrahdlcesinterconnectedbyoctahedraandstronghydro-gembondinteractionsformathree-dimensionalframework.Theprotonatedwatermoleculesarelocatedatuniquepositions.othercharacterizationsbyIRandthermalanalysisarealsode-scribed.
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：ThehydrolysisofcephanoneinTritonX-100micelleandTritonX-100/n-C5H11OH/H2O(O/W)microemulsionwerestudiedbymeansofUV-Visabsorptionspectroscopy.Theresultsshowthatcomparedwithwater,TritonX-100micelleandTritonX-100/n-C5H11OH/H2O(O/W)microemulsioncaninhibitthehydrolysisofcephanone.TheinhibitioneffectsofTritonX-100micelleandTritonX-100/n-C5H11OH/H2O(O/W)microemulsiononthehydrolysisofcephanonearerelatedtothelocationofcephanoneintheinterphasesofTritonX-100micellesandTritonX-100/n-C5H11OH/H2O(O/W)microemulsiondroplets.
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：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：
简介：AseriesofMo-impregnatedHβsamples,withMoO3loadinginHβzeoliteinthemassfractionrangeof0.5%-6.0%,werestudiedbymeansofXRDandIRinordertocharacterizetheirstructures.Mo/Hβsampies'crystallinityalmostlinearlydecreaseswithincreasingtheamountofMoO3loaded,TheIRspectraandXRDpatternssuggestthattheprogressivedestabilizationoftheHβzeolitestructureiscausedbyincreasingMoloadingin(MoO3+Hβzeolite).Duringthecalcination,Al2(MoO4)3formedfromthedealuminationofHβzeolite,causesthesubstantiallypartialbreakdownofthezeoliteframeworkwhentheMoloadinginMoO3+Hβisrelativelyhigh.
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