简介：SomeknownandnewhexaaryloxyphosphazeneN3P3(O-C6H4-R)6](R=H,CH3,OCH3,C(CH3)3,CHO,F,C6H5COOR,etc)werereadilyobtainedwithca.70%isolatedyieldinrefluxingacetonitrileinthepresenceofanhydrouspotassiumphosphate.Allcompoundswerecharacterizedbymeansofelementalanalysis,1H-NMR,31P-NMRspectroscopy.

简介：

简介：Aggregationofsomenitrogen-containingheterocycliccompoundshavebeeninvestigatedbymeansoffluorescencespec-troscopyinaqueousoraquiorganobinarymixturesofdifferentΦvaluesforthefirsttime.TheaggregatorsstudiedareN-butylcarbazole(CBZ-4),N-octylcarbazole(CBZ-8),N-do-decylcarbazole(CBZ-12),andN-hexadecylcarbazole(CBZ-16).Theiraggregatingtendencieshavebeenevaluatedbymeasuringtheircriticalaggregateconcentrationvalues(CAgC’s).OurresultsindicatethattheN-alkylcarbazoles,justliketheanthracenederivativeswithdifferentchain-lengths,canalsobeusedasfluorescenceprobesforevaluatingaggregatingtendenciesorCAgCvalues.

简介：Difluorocarbenegeneratedfromthedecompositionoffluorosulfonyldifluoroaceticacid(2)reactedwithvarioussodiumsaltsofN-heterocycliccompounds(1)givingthecorrespondingdifluoro-methylatedproductsinacetonitrileat10—40℃.Benzotriazole(1a),benzimidazole(1b)andimidazole(1c)wereconvertedinto1-(difluoromethyl)benzotriazole(3a),1-(difluoromethyl)benzimidazole(3b)and1-(difluoromethyl)imidazole(3c)respectively.Indole(1d)reactedwith2togive-(fluorosulfonyldifluoro-acetate)indole(2d)ratherthantheexpecteddifluoromethylatedderivatives.

简介：

简介：AconvenientprocedureforthepreparationofsomenewgermasesquioxidescontainingphosphonylgroupscarriedbyanintramolecularcatalyticMannich-typereactionisreported.

简介：Twoseriesofnovelcompoundsdesignedashybridsof1-arylnaphthalenelignanswithdihydroisoquinolinesorisoquinolinesweresynthesizedandevaluatedfortheircytotoxicitiesonhumantumorcelllines,suchasA549,Hela,PC-3andKB.SomeofthesyntheticcompoundsexhibitedtheirIC50valuesonselectedcelllinesatμmol/Lscale.

简介：Anewapproachtothesynthesisof2,2″-biflavanonesbythereductivedimerizationoffla-vonesisreported.Theproducts,theracemateandmesobiflavanones,havebeenseparatedandtheirstructureshavebeendeterminedonthebasisoftheirspectraldata.Theconfigurationof3bhasbeendeterminedbyX-raycrystallographyaswell.

简介：散布盐溶液的康普顿被研究。第一，根据散布理论的康普顿的意见，在集中和散布光子计数之间的线性关系被获得。然后它被为一些答案散布实验的康普顿证明。根据那些实验，阳离子的原子序数什么时候为碱金属氯化物答案和碱地球的金属氯化物答案被增加，被发现斜坡被减少。基于那些关系，一个新方法测量盐溶液的集中被支持未触动过测量答案。

简介：

简介：

简介：

简介：在这个工作，二个chemometrics方法被申请建模和一些器官、无机的混合物的electrophoretic活动性的预言。连续设计算法，特征选择(矿泉)策略，被用作描述符选择和模型发展方法。然后，支持向量机器(SVM)和多重线性回归(MLR)当模特儿被利用构造非线性、线性的量的structureproperty关系模型。用SVM模型获得的结果与用MLR获得的那些相比表明SVM模型比MLR那个具有更好预兆的价值。分别地，当时，为训练集合的root-mean-square错误和为SVM模型的测试集合是0.1911和0.2569由MLR模型，他们分别地是0.4908和0.6494。结果证明SVM模型急速地在QSPR研究提高预言的能力并且比MLR模型优异。

简介：Time-dependentdensity-functionaltheory(TDDFT)hasbeenappliedtocalculatetheelectronicstructureandsecond-ordernonlinearoptical(NLO)propertiesofsomeorganicmolecules.Thetwo-dimensional(2-D)chargetransfercharateristicsofcalculatedmoleculeswerestudiedandcomparedwithcorrespondingexperimentalresults.Allthetheoreticalresultsagreewellwiththemeasurement.For2-Dmoleculewithtwo-foldsymmetry,thedominantchargetransferisoff-diagonal,whileforthree-foldsymmetry2-Dmolecule,thedominantchargetransferisnotonlybetweenbranchesandcentralgroupbutalsoamongbranches.

简介：Basedonthestructure-activityrelationshipsofRGD-containingpeptides,aseriesof1,3-dihydro-l,3-dioxo-2H-isoindolederivativesweresynthesized.Allofthemwerefirstreported.Theirstructureswereconfirmedbyspectraldataandelementalanalysis.Theirabilitytoinhibitangiogenesiswereevaluatedinthechickembryochorioallantoicmembraneassayat-10^-5mol/L.Compounds5band5edisplayedobviouslyantiangiogenicactivity.

简介：

简介：Hartree-Fock-Roothaan(HFR)calculationsforgroundstatesofsomeatoms,i.e.He,Be,Ne,Ar,andKrhavebeenperformedusingminimalbasissetsofSlatertypeorbitals(STOs)withintegerandnonintegerprincipalquantumnumbers(integern-STOsandnonintegern-STOs).Theobtainedtotalenergiesfortheseatomsusingminimalbasissetsofintegern-STOsareingoodagreementwiththoseinthepreviousliterature.Ontheotherhand,forthecaseofminimalbasissetsofnonintegern-STOs,althoughthecalculatedtotalenergiesoftheseatomsagreewellwiththeresultsinliterature,somestrikingresultshavebeenobtainedforatomsArandKr.OurcomputationalresuitsfortheenergiesofatomsArandKrareslightlybetterthanthoseinliterature,byamountof0.00222and0.000054a.u.,respectively.TheimprovementintheenergiesofatomsArandKrmayresultfromtheefficientcalculationsofone-centertwo-electronintegralsovernonintegern-STOs.Forsomeatomicionsintheirgroundstate,HFRcalculationshavebeencarriedoutusingminimalbasissetsofnonintegern-STOs.Theobtainedtotalenergiesfortheseatomicionsaresubstantiallylowerthanthoseavailableinliterature.

简介：ＩｎｔｒｏｄｕｃｔｉｏｎＴｈｅｒｅｃｅｎｔｄｉｓｃｏｖｅｒｙｏｆａｃｌａｓｓｏｆｃａｒｂｏｎｃｏｎｔａｉｎｉｎｇｍｏｌｅｃｕｌｅｓｋｎｏｗｎａｓｔｈｅｆｕｌｅｒｅｎｅｓｈａｓｐｒｏｄｕｃｅｄａｓｅｒｉｅｓｏｆｍａｔｅｒｉａｌｓｗｉｔｈａｗｉｄｅｒａｎ...

简介：Abinitio计算轨道并且在Slater上的一些开壳、靠近壳的原子的扎根的州的精力与量数字打orbitals有量数字noninteger的整数和Slater类型orbitals被执行了。为了增加这些计算的效率，原子二电子的积分以不完全的贝它功能被表示。结果被观察在对文学的好同意。

简介：为Mn(II)的preconcentration的一个过程，Fe(II)，公司(II)，Cu(II)，Cd(II)，Zn(II)，Pb(II)和Ni(II)被火焰AAS为环境样品的分析基于他们有在列的AmberliteXAD-2000树脂上的8-hydroxyquinoline(HQ)的建筑群的保留建议。象pH，eluent类型，卷，集中，流动率和样品答案的体积那样的各种各样的参数，和金属离子的保留上的矩阵干扰效果被调查。为在问题的金属建筑群的保留的最佳pHs除了为其价值是8的Mn2+是大约6。为从在最佳条件下面的树脂的这些金属和他们的恢复的吸附物的装载能力在范围是6.829.26mg