β-D-核糖（ RI）与一价、二价金属离子相互作用的理论研究

在HF和MP2水平用全电子(AE)和相对论有效芯势(RECP)方法研究了Ⅰa、Ⅰb、Ⅱa和Ⅱb族金属离子与β D 核糖(RI)的相互作用. 结果表明, RECP能可靠地用于重金属离子;二价金属离子(M2＋)比一价金属离子(M＋)更易使β D 核糖(RI)变形;二价金属离子络合物(RI M2＋)比一价金属离子络合物(RI M＋)稳定. 电荷布居分析的结果支持上述结论.     

具有高安全性和有效性的Ⅱ期两阶段临床试验

Ⅱ期临床试验的主要目的是对药物治疗的安全性和有效性进行评估.针对具有高安全性的Ⅱ期两阶段临床试验,给出小样本量下关于安全性和有效性的精确检验方法,并证明最大Ⅰ类错误概率与Ⅱ类错误概率分别在原假设和备择假设的边界处达到.在期望样本量最小原则下,给出最优两阶段设计的构造方法和常用设计表,供实际应用选用.     

On Felbin-type Fuzzy 2-normed Spaces and Its Fuzzy Ⅰ-topologies

In this paper using the concept of Felbin-type fuzzy 2-norm ‖.,.‖ on a vector space,two Ⅰ-topologies τ‖.,.‖ and τ*‖.,.‖ is constructed.After making our elementary observations on this fuzzy Ⅰ-topologie...     

Synthesis, Crystal Structure and Fluorescent Property of One New Complex [Na2（2-benzoylbenzoato）4（Phen）2（H2O）2]·H2O

One binuclear sodium(Ⅰ) complex [Na2(2-benzoylbenzoato)4(Phen)2(H2O)2]·H2O has been synthesized with 2-benzoylbenzoic acid and 1,10-henanthroline as ligands. The crystal structure was determined by X-ray diffraction. The crystal belongs to the triclinic system with space group P , a = 1.08096(8), b = 1.09619(8), c = 1.09740(8) nm, α = 79.0600(1), β = 71.0450(1), γ = 62.0540(1)o, V = 1.08533(1) nm3, Dc = 1.421 g/cm3, Z = 2, F(000) = 484, GOOF = 1.036, the final R = 0.0363 and wR = 0.0961. The crystal structure shows that two neighboring sodium(Ⅰ) ions are linked together by two bridging water molecules, and each end position is coordinated with one 1,10-phenanthroline molecule and one 2-benzoylbenzoato to form a binuclear structure. Each sodium(Ⅰ) ion in the molecule is coordinated with five atoms to give a distorted trigonal bipyramid. The fluorescence property of the title complex is also discussed.     

利用无标记的分子信标及核酸染料SYBR Green Ⅰ检测乙肝病毒

本文以野生型的乙型肝炎病毒(HBV)核酸片段为研究对象,利用无标记的分子信标及核酸染料SYBR Green I,建立了一种高灵敏、高选择性的特定序列核酸检测方法.在优化条件下,目标DNA浓度为4×10-11~400×10-11 mol/L之间时,SYBR Green I的荧光强度(ΔI)与目标DNA的浓度(C)具有良好的线性关系,其拟合的回归方程为ΔI=1.9556 C+31.4659(R2=0.9956),方法检测限(3ζ)为2×10-11 mol/L.该方法操作简单、检测速度快、灵敏度高、重现性好、检出限低.利用该方法,结合不对称PCR技术,实现了对HBV的定量检测.     

相干梯度敏感干涉测量技术及在静态断裂力学实验中的应用

介绍了相干梯度敏感(CGS)干涉测量技术的基本原理及其在静态Ⅰ型断裂实验中的应用,验证了该方法对裂纹尖端局部变形场和断裂特性进行定量研究的可行性。给出了代表静态Ⅰ型裂纹尖端奇异场光力学信息的CGS控制方程,模拟并分析了Ⅰ型裂纹尖端的CGS条纹模式,对静态Ⅰ型裂纹尖端变形场和断裂特性进行了三点弯曲的CGS试验,并提取了应力强度因子KⅠ。结果表明,试验结果与理论分析结果相吻合。     

Synthesis and Crystal Structure of a Tetranuclear Cu（Ⅰ） Complex with Vinylidenebis（diphenylphosphine）

The vinylidenebis（diphenylphosphine） （vdpp） reacts with CuBr to give a tetranuclear complex, [Cu4（μ3-Br）2（μ2-Br）2（μ2-vdpp）2（CH3CN）2]·（CH3CN）2 1. The title complex has crystallo- graphically imposed centrosymmetry and presents a CuaBr4 core with distorted stair-like structure. All copper（I） atoms in 1 assume distorted tetrahedral coordination geometry. The distance of 2.7745（11） A between the two copper centers indicates the presence of ligand-supported Cu…Cu interactions. Crystal data for 1： C_60H_56Br_4Cu_4N_4P_4, Mr= 1530.77, triclinic, space group P1, a = 11.6593（9）, b = 11.7181（9）, c = 13.8711（11） А, a = 110.1020（10）, β = 102.0050（10）, γ = 109.8040（10）°, V = 1557.5（2） А^3, Z = 1, Dc = 1.632 g/cm^3, F（000） = 760, λ= 0.71073А, T = 298（2） K, 2θmax = 50.04°,μ= 4.056 mm^-1, S = 1.181, R = 0.0507 and wR = 0.1025.     

三核铜(Ⅰ/Ⅱ)配合物[Cu(en)_2]·[Cu(pht)_2]_2的合成、晶体结构及与DNA相互作用的研究

报道了多核铜配合物[Cu(en)_2]·[Cu(pht)_2]_2(Hpht:苯妥英,即5,5-二苯基-2,2-咪唑烷酮;en:乙二胺)的溶剂热合成、晶体结构及其与DNA的相互作用.该晶体属三斜晶系,P_1~-空间群,晶胞参数:a=0.8453(2)nm,b=1.1878(3)nm,c=1.5674(4)nm,a=101.197(3)°,β=97.690(3)°,γ=103.283(3)°,V=1.476(6)nm~3,D_c=1.480 g/cm~3,Z=1,F(000)=679,μ=1.139nm~(-1),R_1=0.0402,wR_2=0.0962[I>2σ(Ⅰ)],GOF=1.035.XPS和X射线单晶衍射数据显示该配合物分子由混价铜组成,包括两个一价铜和一个二价铜,其中每个Cu(Ⅰ)分别与两个苯妥英配体提供的氮原子配位,N-Cu(Ⅰ)-N的夹角为177°,一个Cu(Ⅱ)与六个配位原子配位(CuN_4O_2),形成一个稍变形八面体结构.配合物与DNA相互作用研究表明,该配合物主要是以插入方式与小牛胸腺DNA结合.     

Synthesis,Crystal Structure and Luminescent Property of a New Copper(Ⅰ) Iodide Complex Based on 3,5-Dimethyl-4-amino-triazole

The title compound,[Cu4I4(C4H8N4)4],has been synthesized and characterized by single-crystal X-ray diffraction analysis.It crystallizes in monoclinic,space group Pbca,with a=18.1851(10),b=9.3697(5),c=19.8034(10),V=3374.3(3)3,C16H32Cu4I4N16,Mr=1210.34,Z=4,Dc=2.383 g/cm3,μ=6.183 mm-1,F(000)=2272,S=1.032,the final R=0.0309 and wR=0.1180 for 3854 observer reflections(I2σ(I)).The structure of the title compound consists of tetranuclear copper cluster units bridged by the halogen atoms with the 3,5-dimethyl-4-aminotriazole ligands coordinated to the metal ions through the triazole nitrogen atoms.The luminescent property of 1 was also studied.     

基于双极性铼配合物的低浓度淬灭电致发光器件

合成了一种含双极性9,9-双(9-乙基咔唑-3-基)-4,5-二氮芴(ECAF)配体的新型三羰基铼配合物Re(CO)3(ECAF)Cl,通过核磁共振氢谱及高分辨质谱对其结构进行了确定。以含有4,5-二氮-9,9-螺二芴(SB)配体的铼配合物Re(CO)3(SB)Cl作为参比物,对比研究了其热稳定性及光电性能。结果表明,与参比物的分解温度(366℃)相比,配合物Re(CO)3(ECAF)Cl有极好的热稳定性(热分解温度419℃)。由于富电子咔唑基团导致的能隙增大,相比参比物的发光波长(572 nm),Re(CO)3(ECAF)Cl的发光波长蓝移至565 nm。Re(CO)3(ECAF)Cl的发光量子效率(39%)稍高于参比物(37%)。以旋涂法制成电致发光器件后,基于Re(CO)3(ECAF)Cl器件的最佳掺杂浓度(质量分数)高达30%,是基于参比物器件的2.4倍,而且开启电压低至2.9 V,明显比参比物器件的4.0 V低,说明ECAF配体能有效抑制发光浓度淬灭,且明显改善了铼配合物的载流子传输性能。基于Re(CO)3(ECAF)Cl器件的最大电流效率及最大外量子效率分别为8.2 cd·A^-1和3.0%,低于参比物器件的9.7 cd·A^-1和3.9%。