Crystallization of Poly(ethylene adipate) within γ-Phase Poly(vinylidene fluoride) Matrix

The effects of PEA on the γ-phase PVDF crystal structure and the crystallization of PEA within the pre-existing γ-phase PVDF spherulites have been investigated by optical microscopy(OM), infrared spectroscopy(IR) and scanning electron microscopy(SEM). The results demonstrate that the γ-phase PVDF spherulites consist of the lamellae exhibiting a highly curved scroll-like morphology and develop preferentially in PEA-rich blend. With increasing PEA concentration, the scroll diameter increases and the scrolls are better separated from each other. PEA crystallizes first in the interspherulitic region and transcrystalline layer develops. Subsequently, the transcrystalline layer of PEA continues to grow within the γ-phase PVDF spherulites, e.g., in the region between the scrolls, until impinging on other PEA transcrystalline layers or spherulites. The crystallization kinetics results indicate that the growth rate of PEA crystals in the intraspherulitic region of γ-phase PVDF shows a positive correlation with content of PEA, but a negative one with the crystallization temperature of γ-phase PVDF.     

Terahertz radiation from pentacene organic diode at room temperature

We investigate terahertz radiation(T-rays) from a pentacene organic diode at room temperature. The quantum chemistry calculation for frequency-related Huang–Rhys factor of pentacene is also carried out. The results demonstrate that the T-rays can come from a bending vibration of pentacene skeleton after the energy of pentacene exciton transferring to the vibrational excited state via electron–phonon coupling. Frequency and natural bond orbital analytics of pentacene and its derivatives are performed in order to explain the result and develop new materials to get higher emission. This work provides a new way to produce T-rays with a simple device at room temperature.     

锡苯和铅苯二聚反应的理论研究

采用密度泛函理论B3LYP方法,研究了锡苯和铅苯的[2+2],[4+2]及[4+4]二聚反应的微观机理和势能剖面,考察了Sn(Pb)原子上的2,4,6-三甲基苯基(Mes)取代基对反应势能剖面的影响.研究结果表明,所有反应均为协同过程,且大多数情况下,2个C—Sn(Pb)键同步形成.[2+2]和[4+2]反应在热力学和动力学上均比相应的[4+4]反应容易进行,而[4+2]反应在动力学上比相应的[2+2]反应有利.Sn(Pb)原子上的Mes取代基在热力学和动力学上均不利于反应的进行.铅苯的动力学稳定性与锡苯相当,但其热力学稳定性高于锡苯.     

解奇异非光滑方程组的牛顿法和不精确牛顿法

本文主要解决奇异非光滑方程组的解法。应用一种新的次微分的外逆，我们提出了牛顿法和不精确牛顿法，它们的收敛性同时也得到了证明。这种方法能更容易在一引起实际应用中实现。这种方法可以看作是已存在的解非光滑方程组的方法的延伸。     

与HBV X蛋白相互作用的细胞蛋白的筛选及其鉴定

参考GenBank核苷酸序列库中的HBV的核苷酸序列设计合成了一对对应于HBx基因的引物，从原发性肝癌(hepatocellular carcinoma，HCC)患者的血清中提取HBV基因组DNA作为模板，扩增HBx编码区并测定了核苷酸序列．将该编码区克隆到酵母双杂交系统的诱饵蛋白表达载体pGBKT7中，转入酵母细胞AH109，进行表型鉴定．然后通过Mating实验从已制备好用于酵母双杂交系统的肝cDNA表达文库中筛选与HBx相互作用的细胞蛋白，并用体外免疫共沉淀实验进一步验证．研究表明，分离得到的与HBx基因编码的蛋白相互作用的4种新的细胞蛋白，分别是醛缩酶B、C8α亚基、一种丝氨酸蛋白酶Hepsin和一种未知蛋白．     

Regular Balanced Cayley Maps for Cyclic, Dihedral and Generalized Quaternion Groups

A Cayley map is a Cayley graph embedded in an orientable surface such that. the local rotations at every vertex are identical. In this paper, balanced regular Cayley maps for cyclic groups, dihedral groups, and generalized quaternion groups are classified.     

Synthesis,structure, spectroscopic and magnetic properties of a novel two-dimensional copper(II) complex Na2[Cu(pba)] · 6H2O [pba = 1,3-propylenebis(oxamato)]

The copper(II) complex Na₂[Cu(pba)] · 6H₂O has been synthesized and its structure determined. It consists of a novel two-dimensional network of [Cu(pba)]^2– anions connected to each other through the sodium ion as a bridge. Spectroscopic and magnetic properties have been measured and a spin distribution calculation has been carried out with the GAUSSIAN-94. Theoretical calculations indicate the rather larger spin density on nitrogen atoms should be responsible for the satellite lines appearing beside the main hyperfine coupling signs of copper(II). The antiferromagnetic interaction may be due to the intermolecular interaction and/or different copper(II) ions through the Na⁺ bridge in the same layer.