一个双核锌配合物[(ZnCl2)(PyBIm)]2的合成及结构

在水热条件下,合成了1个新的双核锌配合物[(ZnCl₂)(PyBIm)]₂(PyBIm=2-(4-pyridyl)benzimidazole)。该配合物为单斜晶系,P2₁/n空间群,晶胞参数a=0.774 51(4) nm,b=1.252 49(5) nm,c=1.315 96(7) nm,β=100.294(3)°,V=1.256 0(1) nm³,Z=2。结构分析表明,Zn被2个Cl原子和来自PyBIm配体的2个N原子配位,形成了1个变形四面体结构。在该配合物中,Zn…Zn距离为 0.709 4(5) nm,结构中存在π…π堆积和氢键作用。     

Good polynomials for optimal LRC of low locality

Designs, Codes and Cryptography - According to a magnific method due to I. Tamo and A. Barg, a class of polynomials over finite fields, called good polynomials, was introduced and used to construct...     

Artematrovirenolides A—D and Artematrolides S—Z,Sesquiterpenoid Dimers with Cytotoxicity against Three Hepatoma Cell Lines from Artemisia atrovirens

Inspired by the intriguing structures and remarkable activities of sesquiterpenoid dimers,12 new sesquiterpenoid dimers,artematrovirenolides A—D(1—4)and artematrolides S—Z(8—12),were isolated from the EtOAc fraction of Artemisia atrovirens through a bioactivity-guided approach.Their structures were elucidated by comprehensive spectroscopic data and absolute configuration was assigned based on single crystal X-ray diffraction data and ECD calculations.Structurally,all compounds are presumably formed via[4+2]cycloaddition involving three connecting model.Compounds 1—4 are four novel hetero-dimeric[4+2]Diels-Alder adducts dimerized from a rotundane-type unit and a guaiane-type monomer,and compounds 5—12 are eight new homo-dimeric[4+2]adducts derived from two guaianolide moieties.A putative biosynthetic pathway for compounds 1—4 was also proposed.Compounds 4,6,7,and 10 demonstrated moderate cytotoxicity against HepG2,SMMC-7721,and Huh7 cell lines with IC50 values ranging from 9.3 to 62.3μmol/L.Interestingly,compounds 5 and 11 manifested cytotoxicity with IC50 values of 13.6 and 12.8(HepG2),18.5 and 13.1(SMMC-7721),and 16.5 and 19.4μmol/L(Huh7),respectively,which were equivalent to the positive control,sorafenib.This investigation suggests that compounds 5 and 11 might be considered as potent antihepatoma candidates and deserve further structural modification and mechanism study.     

改进的QMD模型研究不同入射道条件对同位旋分馏强度的影响

通过在同位旋相关量子分子动力学模型(IQMD)中引入同位旋依赖的动量相关作用和同位旋相关的Skyrme势,得到了改进的同位旋依赖的量子分子动力学模型,并用此模型分析和讨论了中能重离子碰撞中的同位旋分馏强度随入射道条件的演化.结果表明在中能重离子碰撞中各种入射道条件下同位旋依赖的动量相关作用和Skyrme势有着明显的同位旋效应,它们减弱了同位旋分馏的过程. 关键词： 同位旋分馏 同位旋相关的动量相关作用 同位旋相关的Skyrme势     

Control and synchronization of second Julia sets

A visualization of Julia sets of the complex Henon map system with two complex variables is introduced in this paper.With this method,the optimal control function method is introduced to this system and the control and synchronization of its Julia sets are achieved.Control and synchronization of generalized Julia sets are also achieved with this optimal control method.The simulations illustrate the efficacy of this method.     

Numerical investigations on the current conduction in bilayer organic light—emitting devices with ohmic injection of charge carriers

A numerical model for bilayer organic light-emitting diodes (OLEDs) has been developed on the basis of trappedcharge limited conduction. The dependences of the current density on the operation voltage, the thickness andtrap properties of the hole transport layer (HTL) and emission layer (EML) in bilayer OLEDs of the structure an-ode/HTL/EML/cathode have been numerically investigated. It has been found that, for given values of reduced trapdepth, total trap density, and carrier mobility of HTL and EML, there exists an optimum thickness ratio of HTL tothe sum of HTL and EML, by which a maximal current density, and hence maximal quantum efficiency and luminance,can be achieved. The current density decreases quickly with the mean trap density, and decreases nearly exponentiallywith the mean reduced trap depth.     

Crystal Structure of a Novel Cadmium Coordination Polymer [Cd15（OH）4（SO4）4（L1）6（L2）12]n （HL1 = 1,2,3-1H-Triazole,HLe = 5-Methyl-lH-tetrazole

A novel cadmium coordination polymer [Cdls（OH）4（SO4）4（L1）6（L2）12]n （HL1 = 1,2,3-1H-triazole, HL2 = 5-methyl-lH-tetrazole） has been synthesized and characterized by elemental analysis and single-crystal X-ray diffraction. The compound crystallizes in cubicI-43d space group with a = 21.5247（4）, V = 9972.7（3） A3, Z = 4, Dc = 2.360 g/cm3, Mr = 3543.68, μ（MoKα） = 3.298 mm^-1, F（000） = 6696, the final R = 0.0340 and wR = 0.0992 for 1909 observed reflections （I 〉 2σ（I））. The compound contains two crystallographicatly independent Cd coordination centers linked up through one L1 and two L2 bridges. The structure displays an inorganic-organic hybrid cadmium coordination polymer.     

Swerilactones E-G, three unusual lactones from Swertia mileensis

Swerilactones E (1), F (2), and G (3), three unusual lactones with a phenyl group, were isolated from the traditional Chinese herb of Swertia mileensis. Their structures were determined based on extensive spectroscopic analysis and X-ray single crystal crystallography. Our anti-HBV assay on the Hep G 2.2.15 cell line in vitro showed that compounds 1 and 2 exhibited significant inhibitory activities against the secretion of HBsAg with IC₅₀ of 0.22 and 0.70 mM and HBeAg with IC₅₀ of 0.52 and >6.78 mM, respectively.     

四-α-(2-甲基-8-喹啉氧基)酞菁金属配合物的合成、表征及光敏活性研究

利用DBU催化法合成得到4种两亲性的四-α-(2-甲基-8-喹啉氧基)酞菁金属配合物[金属＝Co(II), Ni(II), Cu(II), Zn(II)], 同时分别进行了元素分析、质谱、UV-Vis、IR光谱表征. 测定了它们在670 nm光激发下产生单线态氧的速率及光动力氧化氨基酸底物的速率常数, 探讨了它们光敏活性的构效关系.     

Non-oscillatory shock-capturing finite element methods for the one-dimensional compressible Euler equations

A class of shock-capturing Petrov–Galerkin finite element methods that use high-order non-oscillatory interpolations is presented for the one-dimensional compressible Euler equations. Modified eigenvalues which employ total variation diminishing (TVD), total variation bounded (TVB) and essentially non-oscillatory (ENO) mechanisms are introduced into the weighting functions. A one-pass Euler explicit transient algorithm with lumped mass matrix is used to integrate the equations. Numerical experiments with Burgers' equation, the Riemann problem and the two-blast-wave interaction problem are presented. Results indicate that accurate solutions in smooth regions and sharp and non-oscillatory solutions at discontinuities are obtainable even for strong shocks.