(R)-/(S)-2-(5-氟尿嘧啶-1-基-乙酰基)氨基-3-羟基丙酸甲酯和DNA相互作用的电化学研究

以自组装制得的DNA修饰电极为工作电极,采用循环伏安法以Fe(CN)63-/4-为电活性指示剂,研究了抗癌药物R型和S型的2-(5-氟尿嘧啶-1-基-乙酰基)氨基-3-羟基丙酸甲酯(简称为(R)-5FUSer和(S)-5FUSer)与DNA的相互作用.循环伏安测试结果表明:(1)体系的式电位随(R)-5FUSer和(S...     

Ab initio study of the potential energy surface and product branching ratios for the reaction of O(1D) with CH3CH2Br

The potential energy surface of O(¹D) + CH₃CH₂Br reaction has been studied using QCISD(T)/6‐311++G(d,p)//MP2/6‐311G(d,p) method. The calculations reveal an insertion‐elimination reaction mechanism of the title reaction. The insertion process has two possibilities: one is the O(¹D) inserting into C? Br bond of CH₃CH₂Br producing one energy‐rich intermediate CH₃CH₂OBr and another is the O(¹D) inserting into one of the C? H bonds of CH₃CH₂Br producing two energy‐rich intermediates, IM1 and IM2. The three intermediates subsequently decompose to various products. The calculations of the branching ratios of various products formed though the three intermediates have been carried out using RRKM theory at the collision energies of 0, 5, 10, 15, 20, 25, and 30 kcal/mol. CH₃CH₂O + Br are the main decomposition products of CH₃CH₂OBr. CH₃COH + HBr and CH₂CHOH + HBr are the main decomposition products for IM1; CH₂CHOH + HBr are the main decomposition products for IM2. As IM1 is more stable and more likely to form than CH₃CH₂OBr and IM2, CH₃COH + HBr and CH₂CHOH + HBr are probably the main products of the O(¹D) + CH₃CH₂Br reaction. Our computational results can give insight into reaction mechanism and provide probable explanations for future experiments. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2011     

Synthesis,Structure and Photoluminescent Property of a Cd-organic Complex [Cd（L）_2（pbda）]_n

A new complex,[Cd(L)2(pbda)]n(1,L = 3-(2-pyridyl)-4-(p-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazole,H2pbda = 1,4-benzenedicarboxylic acid),has been hydrothermally prepared and characterized by single-crystal X-ray diffraction,IR spectroscopy,elemental analysis and PXRD.The complex crystallizes in monoclinic,space group P21/c with a = 8.2929(9),b = 21.668(2),c = 10.9940(11) ,β = 90.242(2)o,V = 1975.5(4) 3,Z = 2,C44H32N8O6S2Cd,Mr = 945.30,Dc = 1.589 g/cm3,μ = 0.721 mm-1,S = 1.097,F(000) = 960,the final R = 0.0590 and wR = 0.1045 for 3846 observed reflections(I > 2σ(I)).In the title complex,the rigid bridging pbda2-ligands utilize oxygen atoms of carboxylate groups to coordinate with Cd(II) atoms to form one-dimensional chains which are further interlinked into a three-dimension framework via the intermolecular weak interactions.Photoluminescence study revealed that complex 1 exhibits strong fluorescent emission band in the solid state at room temperature.     

具有不同Bi/Ti摩尔比的BiOI/TiO2 (A)光催化剂的结构与性能

在室温条件下通过沉积法制备了BiOI敏化纳米锐钛矿TiO₂ (A)光催化剂. 用X射线衍射(XRD),X射线光电子能谱(XPS), 光致发光(PL)光谱和紫外-可见漫反射(UV-Vis DRS)等手段对其进行了表征. 通过罗丹明B(RhB)催化降解实验评价了其光催化活性. 随BiOI含量增加, BiOI/TiO₂ (A)在370-630 nm的吸收强度增强, 吸收带边红移增加, 紫外和可见光催化活性先增加, 当BiOI含量约为1.7% (质量分数)时, 各自达到最大值, 然后随BiOI含量的进一步增加而减小. 1.7% BiOI/TiO₂ (A)的可见光活性明显高于P25, 它的紫外光活性也略高于P25. 在BiOI含量相近时, BiOI/TiO₂ (A)比BiOI/P25具有更低的光催化活性. 和TiO₂ (A)相比, 1.7% BiOI/TiO₂ (A)明显具有更高的紫外和可见光催化活性, 这归功于它在370-630 nm的强吸收、吸收带边红移明显以及光生电子和空穴的有效转移, 减少了电子-空穴对的复合.     

The Dynamics of Quantum Discord and Entanglement of Three Atoms Coupled to Three Spatially Separate Cavities

In this paper, we study the dynamics of quantum discord and entanglement of three identical two-level atoms simultaneously resonantly interacting with three spatially separate single-mode of high-Q cavities respectively. Taking advantage of the depiction quantum discord and entanglement of formation (EoF), we conclude that the discord and entanglement of atoms and cavities can be mediated by changing some parameters and the maximum values of discord and entanglement are independent on the couplings of cavities and atoms. In particular, there also exists quantum discord sudden death as well as entanglement sudden death and the time interval of the former is shorter than that of the later in the proposed quantum system. It is shown that the discord and entanglement of any two atoms among three atoms can be transferred to the corresponding cavities, and there exists discord and entanglement exchanging between the atoms and the corresponding cavities.     

耐高温型4-卤代(氟、氯)苯甲酸铽配合物的合成及荧光性能研究

以4-氟苯甲酸(4-FBA)、4-氯苯甲酸(4-ClBA)为配体制备了具有良好热稳定性的稀土配合物Tb(4-FBA)3·2H2O和Tb(4-ClBA)3·2H2O,与前期工作中合成的Tb(4-BrBA)3的紫外及荧光光谱进行了分析比较。紫外-可见光吸收光谱表明,相同浓度下,3种配合物的紫外吸收能力以Tb(4-FBA)3·2H2O、Tb(4-ClBA)3·2H2O、Tb(4-BrBA)3顺序依次增大。液体荧光光谱表明,Tb(4-ClBA)3·2H2O的荧光发射强度最强。从配体的能级、配合物的紫外吸收能力及能量传递过程中的热振动损耗等方面对实验结果进行了讨论分析。热重分析表明,Tb(4-FBA)3·2H2O和Tb(4-ClBA)3·2H2O在450℃出现快速分解。将2种配合物放置于马弗炉中350℃加热1 h后,发现Tb(4-FBA)3·2H2O的荧光发射强度降低了24%,Tb(4-ClBA)3·2H2O荧光发射强度仅降低了13%左右,表明2种配合物高温条件下分子结构保持稳定,加热后2种配合物的红外光谱也表明2种配合物在高温条件下未发生分解。     

关于序半群的模糊拟理想

In this paper,fuzzy quasi-ideals of ordered semigroups are characterized by the properties of their level subsets.Furthermore,we introduce the notion of completely semiprime fuzzy quasi-ideals of ordered semigroups and characterize strongly regular ordered semigroups in terms of completely semiprime fuzzy quasi-ideals.Finally,we investigate the characterizations and decompositions of left and right simple ordered semigroups by means of fuzzy quasi-ideals.     

Some statistical properties for a spin-(1/2) particle coupled to two spirals

In this paper we consider the problem of the interaction between two SU(2) quantum systems namely: two-level atom and multi-level atoms. The evolution operator is obtained and used to calculate the time-dependent dynamical operators. It has shown that the atomic inversion is sensitive to the change in the detuning parameter ?, the quantum numbers j_k as well as the atomic angles. The atomic squeezing is also considered and the phenomenon of squeezing is observed in both quadrature variances, however, with a periodic exchange between the quadratures. The degree of entanglement is examined by employing von Neumann entropy. It has shown that an increase in the value of the detuning parameter leads to a decrease in the degree of entanglement. However, for a weak coupling parameter the system shows reduction in the entropy. In the meantime the maximum entanglement can be reached when we increase the value for the quantum numbers j_k. Also it has shown that the atomic angles play a role for controlling the degree of entanglement.     

Implementing Two-Qubit SWAP Gate with SQUID Qubits in a Microwave Cavity via Adiabatic Passage Evolution

We presented a scheme to implement SWAP gate in a microwave cavity. In our scheme, two superconducting quantum interference device (SQUID) qubits are coupled to a single-mode microwave cavity field by adiabatic passage method for their manipulation. This process of implementing SWAP gate is in the range of present experiments. The scheme can be easily obtained only by three steps, which does not require perform any operation. In the scheme, the operations only involve three lowest flux states of the SQUIDs, and the excited states would not be excited; therefore, the decoherence due to spontaneous emission of the SQUIDs’ levels would not affect the operations. In addition, during the whole procedure the cavity field is not necessary to be excited because it does not require transfer quantum information between the SQUID’s and the cavity field. Thus, the cavity decay is suppressed. Therefore our scheme may be realized in superconducting systems.     

模拟计算软件在分析化学教学中的应用

以教学实例解析模拟计算软件在分析化学教学中的优势和方法。模拟计算软件联用现代教育技术使分析化学抽象概念形象化,既活跃课堂气氛、激发学生学习兴趣,又能培养学生综合素质、提高教学质量,为分析化学教学提供了新的思路。