简介：Twooxo-vanadium(IV)complexes,[VO(C2O4)(2,2′-bipy)(H2O)]·C2H5OH(1)andVO(C2O4)(phen)(H2O)(2),where2,2′-bipy=2,2′-bipyridyl,phen=1,10-phenanthroline,weresynthesizedaspotentialfunctionalmodelsofvanadiumhaloperoxidases(VHPOs)inmixedsolventofethanolandwateratroomtemperature.Thecomplexeswerecharacterizedbyelementalanalysis,infrared(IR),UV-VisandX-raycrystallography.Structuralanalysesshowedthatvanadiumatomwascoordinatedbyaterminaloxygen,oneoxygenatomfromcoordinatedwater,twooxygenatomsfromthecarboxylategroupofoxalicacid,andtwonitrogenatoms(N1andN2)from2,2′-bipy/phen.Centralvanadiumatomsincomplexes1and2werebothinadistorted-octahedralenvironment,andsomeintermolecularhydrogenbondinglinkageswerealsoobservedineachcomplex.BrominationreactionactivityofthetwocomplexeswasevaluatedwithphenolredasorganicsubstrateinthepresenceofH2O2,Br-andphosphatebuffer,indicatingthattheycanbeconsideredasapotentialfunctionalmodelofVHPO.Inaddition,thermalanalysiswasalsoperformedanddiscussedindetail.
简介：FiveC3/C3fluoroquinolonedimerstetheredwithafusedheterocyclicringofs-triazolo[2,1-b][1,3,4]thiadiazolederivedfromantibacterialquinolonesweresynthesizedandcharacterized,andtheirinvitroantitumoractivityagainstL1210,CHOcelllineswasevaluatedviatherespectiveIC50values.
简介：Quasiclassicaltrajectorycalculation(QCT)isusedfrequentlyforstudyingcollisionalenergytransferbetweenhighlyvibrationallyexcitedmoleculesandbathgases.Inthispaper,theQCToftheenergytransferbetweenhighlyvibrationallyexcitedC6F6andN2,O2andgroundstateC6F6wereperformed.TheresultsindicatethathighlyvibrationallyexcitedC6F6transferredvibrationalenergytovibrationaldistributionofN2,O2andgroundstateC6F6,sotheyareV-Venergytransfer.EspeciallyitismainlyV-VresonanceenergytransferbetweenexcitedC6F6andgroundstateC6F6,excitedC6F6transfersmorevibrationalenergytogroundstateC6F6thantoN2andO2.ThevaluesofQCT,-〈△Evib〉ofexcitedC6F6aresmallerthanthoseofexperiments.
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简介：Inthispaperwedescribeamulti-gridalgorithmformixedproblemswithpenaltybythelinearfiniteelementapproximation.Itisprovedthattheconvergencerateofthealgorithmisboundedawayfrom1independentlyofthemeshsize.Forconvenience,weonlydiscussJacobirelaxationassmoothingoperatorindetail.
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