一种共轭结构三苯胺衍生物的制备及光学性质

通过固相Wittig反应合成了一种π共轭结构有机荧光化合物。其结构经¹HNMR、¹³CNMR、IR及ESI-MS表征。通过实验研究了化合物的UV-Vis和荧光光谱并采用理论计算进行了光谱机理解释。目标化合物在二氯甲烷、乙酸乙酯、乙醇、乙腈和N, N-二甲基甲酰胺中的最大吸收波长λ_max均位于310 和380 nm处,在上述溶剂中的最强荧光发射波长λ_em分别为438、436、439、448和451 nm。      

熊去氧胆酸的合成研究进展

熊去氧胆酸（UDCA）是一种多功能亲水性胆汁酸,是治疗胆汁淤积性肝病的重要药物之一。以胆酸（CA）、猪去氧胆酸（HDCA）、鹅去氧胆酸（CDCA）等为起始原料的化学合成法已广泛应用于工业化生产;生物合成主要以CDCA或CA为底物,经氧化还原脱氢酶异构化得到UDCA,工艺绿色、环保、高效,是该类药物合成研究的主要方向。本文对UDCA的化学、生物合成方法进行了综述,分析并展望了现有技术的优势及发展方向。     

Beam collimation for CSNS/RCS

The current design of the CSNS/RCS beam collimation system consists of a two-stage betatron collimation and a single momentum collimator. This paper summarizes various aspects of collimator design, including collimation principle and layout, material choice and collimator mechanical structure, etc. At last, radiation and thermal analysis are carried out to illustrate the feasibility of the current beam collimation scheme.     

A revisit to the neutron skin thickness of neutron-rich nuclei in the statistical abrasion ablation model

The cross sections of the fragments produced in the projectile fragmentation reactions of the even calcium isotopes from A=36 to A=52 are calculated using the statistical abrasion ablation model.The neutron skin thickness are studied by investigating the fragments isotopic cross section distributions.The neutron-skin thicknesses of the calcium isotopes have a good linear correlation to the peak positions of their fragment isotopic cross section distributions.The correlation between the neutron skin thickness and the neutron density distributions of 48 Ca is investigated by introducing a parameter to adjust the diffuseness parameter in the fermi-type density distribution.     

Investigation of the Potts Model on Triangular Lattices by the Second Renormalization of Tensor Network States

We employ the second renormalization group method of tensor-network states to investigate thermodynamic properties of the ferromagnetic and antiferromagnetic Potts model on triangular lattices. From the temperature dependence of the internal energy and the specific heat, both the critical temperatures and critical exponents are evaluated. For the q = 3 antiferromagnetic Potts model, the critical temperature is found to be Tc = 0.627163±0.000003, which is at least one order of magnitude more accurate than that obtained by other methods.     

Electric Field Analysis of Space Charge Injection from a Conductive Nano-Filler Electrode

A simulation on the electric field distribution near the electrode is proposed to explain the reason for using nanosized carbon black mixed with ethylene vinyl acetate, as the electrode could lead to more charge injection into the polymer than using a deposited metal electrode. The electrode is simplified to a layer of conductive semi-spheres with fixed size and constant electric potential. By using the finite element method, it is found that both the size of the semi-spheres and the distance between adjacent semi-spheres could dramatically influence the electric field near the surface of the spheres; these are considered to be the two decisive factors for the charge injecting rate at electrodes of various materials.     

K-Shell Spectra from CH-Tamped Aluminum Layers Irradiated with Intense Femtosecond Laser Pulses

X-ray spectra of H-like and He-like aluminum ions from aluminum buried in CH layers irradiated with 30fs, 200 TW laser are measured. The electron temperature and density are derived from line ratios of the He-α resonance line to its satellite lines. Typical temperatures of 490-646 eV and electron densities up to 7 × 10^20 cm-3 are obtained. The results show that the electron density increases and temperature decreases with the increasing CH thickness.     

用单分子技术研究抗癌药物顺铂对DNA结构的影响

文章作者用磁镊与原子力显微镜研究了抗癌药物顺铂对单个DNA分子结构的影响.当顺铂浓度较低时,DNA链变得柔软,驻留长度从～52 nm显著缩短到～15 nm;当顺铂浓度较高时,DNA表现出凝聚现象.基于单分子拉伸和原子力显微镜(AFM)成像两方面的实验结果,文章作者提出一个顺铂导致的DNA变软(softening)-成环(looping)-缩短(shortening)-凝聚(condensing)模型(简写为SLSC模型)来解释观察到的DNA凝聚,并认为通过远程交联使DNA形成小环结构是铂类抗癌药物作用的重要特征.     

He,Ne,Ar,Kr和Xe原子电子的动量密度分布研究

对He,Ne,Ar,Kr和Xe原子体系中电子在动量空间的性质进行了系统的理论计算研究.采用自洽场HFR方法计算了坐标空间He,Ne,Kr和Xe原子体系单电子径向波函数,动量空间的单电子波函数由坐标空间原子体系单电子径向波函数通过运用傅立叶变换计算得到.在冲量近似条件下,进一步计算研究了这些原子的单电子动量密度分布和原子体系总的Compton轮廓.计算结果与已有的实验实验值和其他文献的理论计算结果比较表明,本文计算的结果是准确的.     

O(3P)+H2→OH+H反应的立体动力学研究

利用BMS1势能面[Brandao等,J.Chem.Phys.121,8861(2004)],选取碰撞能为34.6 kcal/mol,用准经典轨线方法研究了O(3P)+H2反应的立体动力学性质.计算并讨论了k与j'的夹角的分布关系P(θr)以及描述k-k'-j'三者关系的二面角分布P((ρ)r).(k)为反应物速度方向,k'为产物的速度方向,j'为产物的角动量方向)P(θr)的峰值在90°附近并且关于90°呈对称性分布,这表明产物角动量的方向与初速度的方向垂直.二面角分布P((ρ)r)关于散射平面呈反对称性分布,这一结果表明产物的角动量具有强烈的极化效应.另外,我们还研究了振动激发对产物角动量的影响,结果表明产物的矢量性质对反应物的初始振动态非常敏感.