简介：FiveC3/C3fluoroquinolonedimerstetheredwithafusedheterocyclicringofs-triazolo[2,1-b][1,3,4]thiadiazolederivedfromantibacterialquinolonesweresynthesizedandcharacterized,andtheirinvitroantitumoractivityagainstL1210,CHOcelllineswasevaluatedviatherespectiveIC50values.
简介：[Co3(1,2-S2C6H4)3(PPh3)3][CoBr3(DMF)].sol(1,sol=CHCl3,O(C2H5)2,H2O)wasobtainedfromthereactionofCoBr(PPh3)3withNa2(S2C6H4)inchloroform.TheCo3coreinthecationof1exhibitsametal-metalbondedisoscelestriangle,inwhichthetwolongerCo-CobondsarebothbridgedbyS2C6H4ligandsontwosidesofthetriangleplanerespectively,whilethebottomshortCo-CobondisbridgedbythethirdbidentateS2C6H4ligand.Aseriesofpolynu-clearcobaltclustercompoundswithphosphine,thiolateand/orsulphurligandswerepreparedbylowoxidationstateCo+withthiolatesinorganicsolvents.Thesetri-,tetra-,hexa-,heptanuclearclustercompounds1-8withvarioustypesofcrystalstructurescanbeviewedasthecondensedpolynuclearcobaltcomplexesthatthecobaltatomframeworkswithsulphurbridgedwerebuiltthroughthesmalltriangularunitsof[Co3S3nL3](n=1,2)withorwithout[CoL](L=PR3,Br,Cl,5-C5H5)fragments.
简介：At-hyperwheel(t≥3)oflengthl(orW(t)lforbrevity)isat-uniformhypergraph(V,E),whereE={e1,e2,...,el}andv1,v2,...,vlaredistinctverticesofV=∪eii=1lsuchthatfori=1,...,l,vi,vi+1∈eiandei∩ej=P,j∈/{i1,i,i+1},wheretheoperationonthesubscriptsismodulolandPisavertexofVwhichisdifferentfromvi,1≤i≤l.Inthispaper,theminimumcoveringproblemofMCλ(3,W(3)4,v)isinvestigated.DirectandrecursiveconstructionsonMCλ(3,W(3)4,v)arepresented.Thecoveringnumbercλ(3,W(3)4,v)isfinallydeterminedforanypositiveintegersv≥5andλ.
简介：Onenewsesquiterpenecompound,namely,illihenlactoneA（1）,andonenewprenylatedC6–C3compound,illihenryioneH（2）,alongwiththreeknownsesquiterpenes（3–5）wereisolatedfromthestemsofIlliciumhenryi.Thestructuresof1and2wereelucidatedbyspectroscopicevidenceincludingNMR,HRESIMSandcirculardichroism（CD）.Compound2exhibitedaweakinhibitoryratioforbglucuronidasereleaseinducedbyplatelet-activatingfactor（PAF）inratpolymorphonuclearleukocytes（PMNs）invitro.
简介：QuantumdynamicscalculationsforthetitlereactionH(2S)+S2(X3-Σg)→SH(X2Π)+S(3P)areperformedbyusingagloballyaccuratedoublemany-bodyexpansionpotentialenergysurface[J.Phys.Chem.A1155274(2011)].TheChebyshevrealwavepacketpropagationmethodisemployedtoobtainthedynamicalinformation,suchasreactionprobability,initialstate-specifiedintegralcrosssection,andthermalrateconstant.Itisfoundnotonlythatthereisareactionthresholdnear0.7eVinbothreactionprobabilitiesandintegralcrosssectioncurves,butalsothatboththeprobabilityandcrosssectionincreasefirstlyandthendecreaseasthecollisionenergyincreases.Theexistenceoftheresonancestructureinboththeprobabilityandcrosssectioncurvesisascribedtothedeeppotentialwell.Thecalculationoftherateconstantrevealsthatthereactionoccurringonthepotentialenergysurfaceoftheground-stateHS2isslowtotakeplace.
简介：FranklandFürediin[1]conjecturedthatther-graphwithmedgesformedbytakingthefirstmsetsinthecolexorderingofN（r）hasthelargestLagrangianofallr-graphswithmedges.Denotethisr-graphbyCr,mandtheLagrangianofahypergraphbyλ（G）.Inthispaper,wefirstshowthatif(3t-1)≤m<（3t）,Gisaleft-compressed3-graphwithmedgesandonvertexset[t],thetriplewithminimumcolexorderinginGcis（t—2—i）（t—2）t,thenλ（G）≤λ(C3,m).Asanimplication,theconjectureofFranklandFiirediistruefor（3t）-6≤m≤（3t）.
简介：The1/3subharmonicsolutionfortheDuffing'sequationisinvestigatedbyusingthemethodsofharmonicbalanceandnumericalintegration.Thesensitivityofparametervariationforthetransientprocessandthetransientprocessfortheperturbanceinitialconditionsarestudied.Overandabove,theprecisionofnumericalintegrationmethodisdiscussedandthenumericalintegrationmethodiscomparedwiththeharmonicbalancemethod.Finally,asymptoticalstabilityofthepuresubharmonicoscillationselementisinspected.
简介：Becausemostpiezoelectricdeviceshaveinterfaceswithfluidinengineering,itisvaluabletostudythecoupledfieldbetweenfluidandpiezoelectricmedia.Asthefundamentalproblem,the3DGreen'sfunctionsforpointforcesandpointchargeloadedinthefluidandpiezoelectricbimaterialsarestudiedinthispaper.Basedonthe3Dgeneralsolutionsexpressedbyharmonicfunctions,weconstructedthesuitableharmonicfunctionswithundeterminedconstantsatfirst.Then,thecouplefieldinthefluidandpiezoelectricbimaterialscanbederivedbysubstitutionofharmonicfunctionsintogeneralsolutions.Theseconstantscanbeobtainedbyvirtueofthecompatibility,boundary,andequilibriumconditions.Atlast,thecharacteristicsoftheelectromechanicalcoupledfieldsareshownbynumericalresults.
简介：<正>LetMbeacompactminimalsurfaceinS3.Y.J.Hsuprovedthatif‖S‖2≤2(21/2π,thenMiseithertheequatorialsphereortheCliffordtorus,where5"isthesquareofthelengthofthesecondfundamentalformofM,‖·‖2denotestheL2-normonM.Inthispaper,wegeneralizeHsu’sresulttoanycompactsurfacesinS3withconstantmeancurvature.
简介：采用密度泛函B3LYP/6-311G（d,p）方法对CH3F与C2H3的反应体系进行了理论研究,获得了反应的势能面信息及可能的微观机理.在QCISD（T）/6-311＋＋G（d,p）水平上精确计算了各反应物种的单点能.结果表明,除抽提氢反应外,标题反应还存在抽提氟（R1）、消氟化氢（R2）、消氢（R3）和自由基形成（R4）四类反应.在QCISD（T）/6-311＋＋G（d,p）//B3LYP/6-311G（d,p）水平上,R1,R2,R3和R4反应的能垒分别是163.9,152.2,209.8和224.2kJ·mol-1,相应反应能为-56.6,-164.3,-2.7和-156.0kJ·mol-1,所有反应均放热,为热力学允许的反应.
简介：Wehavefoundthattheexcitedenergyfromthegroundstatewith1f7=2configurationtothefirstexcitedstatewith2p3=2configurationin37SisobviouslylowercomparedwiththatinnearbyN=21isotones35Si,39Arand41Ca(seeFig.1,Theinsertindicatestherelevantsingle-particleorbitsofprotonandneutron).ThisinterestingphenomenonmayresultfromthecollapseofN=28closure,whichgivesthesufficientvalencespaceforcollectivedeformationwhichcanbeenrevealedfromtheB(E2)value.Therefore,toobtaintheB(E2),weperformtheexperimentsformeasuringthelifetimeofthefirstexcitedstatein37S.
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![Synthesis and antitumor evaluation of <b style='color:red'>C</b><b style='color:red'>3</b>/<b style='color:red'>C</b><b style='color:red'>3</b> fluoroquinolone dimers (I): Tethered with a fused heterocyclic <b style='color:red'>s</b>-triazolo[2,1-b][1,<b style='color:red'>3</b>,4]thiadiazole](/image/thesis1 "Synthesis and antitumor evaluation of <b style='color:red'>C</b><b style='color:red'>3</b>/<b style='color:red'>C</b><b style='color:red'>3</b> fluoroquinolone dimers (I): Tethered with a fused heterocyclic <b style='color:red'>s</b>-triazolo[2,1-b][1,<b style='color:red'>3</b>,4]thiadiazole")
![[Co<b style='color:red'>3</b>（1,2-<b style='color:red'>S</b>2<b style='color:red'>C</b>6H4）<b style='color:red'>3</b>（PPh<b style='color:red'>3</b>）<b style='color:red'>3</b>]+, A basic triangle unit of some polynuclear molecules](/image/thesis2 "[Co<b style='color:red'>3</b>（1,2-<b style='color:red'>S</b>2<b style='color:red'>C</b>6H4）<b style='color:red'>3</b>（PPh<b style='color:red'>3</b>）<b style='color:red'>3</b>]+, A basic triangle unit of some polynuclear molecules")
