简介:Wehavesuccessfullysynthesized1-(2′-Phenyl)cycloproply1-2,3-epoxypropan-1-ol3,whichwillbeappliedtothekineticsstudyofoxiranylcarbinylradical.
简介:SINGULARITYANDQUADRATUREREGULARITYOF(0,1,...,m-2,m)─INTERPOLATIONONTHEZEROSOF(1-x)Pn-1αβ(x)ShiYingguang(史应光)(ComputingCe...
简介:ThesplittingofpotentialenergylevelsforgroundstateX2ΠgofOx2(x=+1,1)underspin–orbitcoupling(SOC)hasbeencalculatedbyusingthespin–orbit(SO)multi-configurationquasi-degenerateperturbationtheory(SO-MCQDPT).TheirMurrell–Sorbie(M–S)potentialfunctionsaregained,andthenthespectroscopicconstantsforelectronicstates2Π1/2and2Π3/2arederivedfromtheM–Sfunction.TheverticalexcitationenergiesforOx2(x=+1,1)areν[O+12(2Π3/2→X2Π1/2)]=195.652cm1,andν[O12(2Π1/2→X2Π3/2)]=182.568cm1,respectively.Allthespectroscopicdataforelectronicstates2Π1/2and2Π3/2aregivenforthefirsttime.
简介:Treatmentof4-amino-3-(1-aryl-5-methyl-1,2,3-triazol-4-yl)-5-mercapto-1,2,4-triazoles/2-amino-5-(1-aryl-5-methyl-1,2,3-triazole-4-yl)-1,3,4-thiadiazoleswithbenzaldehyde,acetoneandω-bromoacetophenonewastestedandcompared.ThetitlecompoundsSchiffbases,amides,imidazolo[2,1-b]-1,3,4-thiadiazolesand7H-s-triazolo[3,4-b]-1,3,4-thiadiazineshavebeenconfirmedbyelementalanalyses,^1HNMR,IRandMSspectra.AllthecompoundshavealsobeenscreenedfortheirantibacterialactivitiesagainstB.subtilis,S.aureusandE.coli.
简介:主要讨论由Lipschitz函数b与广义C-Z算子T生成的交换子[b,T]在加权Herz型Hardy空间上的有界性,证明了[6,T]从HKq1^α,p(w1,w2^q1)到HKq2^α,p(w1,w2^q2)的有界性.
简介:设R是素环,I是R的非零理想,如果R容许一个非单位映射的左乘子使得对所有x,y∈I满足δ(x·y)=x·y或δ(x·y)+x·y=0,那么R可交换.此外,如果R是2-扭自由的素环,U是平方封闭的李理想.γ是伴随导子非零的广义导子.B:R×R→R是迹函数为g(x)=B(x,x)的对称双导,当下列条件之一成立时U为中心李理想(1)γ同态作用于U(2)2[x,y]-g(xy)+g(yx)∈Z(R)(3)2[x,y]+g(xy)-g(yx)∈Z(R)(4)2(x·y)=g(x)-g(y)(5)2(x·y)=g(y)-g(x)对所有的x,y∈U.
简介:给出广义Fibonacci等距子列的定义,求出以Fibonacci数f∞为模的模数列的周期,由此得到求广义Fibonacci数列模f∞的周期的算法.
简介:鲍曼不动杆菌已成为最普遍的医院致病菌,且耐药情况严峻.LpxC作为新抗菌药物靶点被大量研究,但鲍曼不动杆菌LpxC晶体尚未解析得到,基于其结构的药物设计等工作无法开展.以铜绿假单胞菌LpxC晶体结构为模板,通过同源模建方法获得鲍曼不动杆菌LpxC结构模型.较好的Ramachandranplot分布和Profile-3D结果验证了模型的合理性.用分子动力学模拟优化鲍曼不动杆菌LpxC模型,修补部分不合理构象.后续分子对接结果显示S构型的苄氧乙酰基羟肟酸类抑制剂比R构型分子能更有效地结合在F191,H237和K238组成的较浅口袋中,这可能是S构型抑制剂活性更高的主要因素,模拟结果与实验数据吻合较好.
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