压力对硫醇分子膜电输运性质的影响

利用密度泛函理论和弹性散射格林函数方法,对硫醇分子膜的电学特性进行了理论模拟,计算结果表明,分子结的导电能力随着压力增加而增加,对单分子构成的分子结来说,电流的增加主要是由于电极距离的变化导致单个分子与电极的耦合增强,对于由多个分子构成的分子膜来说,由于外加压力的变化,导致分子结的链内隧穿和链间隧穿几率增大,从而导致导...     

铁基超导体Minimum模型中的d波和扩展s波

对比研究了Minimum模型中d-波配对和扩展s-波配对的基本性质.结果表明,超导序参量按类BCS关系随温度变化,重整化参数t对超导有抑制作用,当t足够大时,超导消失,系统进入正常金属相.此外,讨论了超导序参量随不同参量的变化关系.对于d波,系统有稳定态;而对于扩展s波,系统则没有稳定态.     

Off-on-off luminescent switching of a dye containing imidazo[4,5-f][1,10]phenanthroline

A new acid-base fluorescent switch containing both imidazo[4,5-f][1,10]-phenanthroline and triphenylamine groups has been synthesized.Its fluorescence emissions and absorptions can be reversibiy changed through protonation/deprotonation of imidazole and amine moiety by controlling the intramolecular charge transfer(ICT) process,leading to off-on-off fluorescent molecular switching.     

Effects of cosolvent on formation and morphology of microspheres in precipitation polymerization of divinylbenzene in supercritical carbon dioxide

Precipitation polymerizations of divinylbenzene(DVB) in pure supercritical carbon dioxide,and parallel runs with presence of a cosolvent were carried out.The results showed that use of acetone as the cosolvent contributed greatly to the formation of the monodisperse microspheres.PDVB microspheres,with obviously higher uniformity than reported up to date,were achieved using 6-7 mL of acetone in a reactor of 50 mL with DVB concentration of 0.4 mol/L under 16 MPa,a much lower pressure than previously reported without use of cosolvent.     

紧束缚模型方法及其在DNA分子中的应用

近年来,紧束缚模型方法被广泛应用于计算生物大分子体系.本文从第一性原理出发,根据紧束缚近似的思想,推导出生物大分子体系中的单电子运动方程.在此基础上给出了紧束缚模型方法中所涉及参数(在位能和迁移积分)的计算公式,在理论上完善了紧束缚模型方法.我们将所提出的参数化方法应用于理想B型DNA分子,给出了各种序列组合下的在位能和迁移积分.此外,我们还计算了周期性DNA分子poly(A)-poly(T)和poly(G)-poly(C)中空穴在位能和迁移积分随格点间距离的变化,为改进现有的SSH极化子模型提供了新的思路,有助于DNA中电荷输运的极化子机理的研究.     

Design,synthesis and in vivo anti-hyperglycemic activity of gem-dimethyl-bearing C-glucosides as SGLT2 inhibitors

A series of gem-dimethyl-bearing C-glucosides were designed and synthesized as SGLT2 inhibitors,with anhydrous aluminum chloride-mediated Friedel-Crafts alkylation to construct the gem-dimethyl functionality being the key step.The in vivo anti-hyperglycemic activity was evaluated with mice oral glucose tolerance test(OGTT),and all the synthesized compounds showed significant but less potent anti-hyperglycemic activity than the positive control dapagliflozin.     

Λ-Shaped optoelectronic materials based on Trger's base

Trger's base (TB) is a well-known chiral molecule with rigid concave shape that makes it applicable in different areas such as superamolecular chemistry,molecular recognition,biological labeling,and so on.In this article,we briefly summarize some recent research progress in the optoelectronic properties of novel TB analogues and their applications in optoelectronic field with emphasis on the developments achieved in our group.     

多供应商多零售商下经济批量问题的多项式时间算法研究

基于多供应商和多零售商构成的经济批量问题,通过构建优化模型,分析了订购费用为全部单位数量折扣和增加数量折扣两种情形模型最优解的相关性质。将这些性质应用到动态规划算法设计中,对订购费用为全部单位数量折扣时的一种特殊情形及增加数量折扣的一般情形分别设计了求解问题最优解的多项式时间算法,并用算例说明了算法的执行过程和有效性。     

渐近φ伪压缩映象有限族的迭代程序的强收敛(英文)

Strong convergence theorems for approximation of common fixed points of asymptoticallyφ-quasi-pseudocontractive mappings and asymptoticallyφ-strictly- pseudocontractive mappings are proved in real Banach spaces by using a new compos- ite implicit iteration scheme with errors.The results presented in this paper extend and improve the main results of Sun,Gu and Osilike published on J.Math.Anal. Appl.     

Functoriality of automorphic L-functions through their zeros

Let E be a Galois extension of Q of degree , not necessarily solvable. In this paper we first prove that the L-function L(s,π) attached to an automorphic cuspidal representation π of GLm(EA) cannot be factored nontrivially into a product of L-functions over E. Next, we compare the n-level correlation of normalized nontrivial zeros of L(s,π1)···L(s,πk), where πj, j = 1,...,k, are automorphic cuspidal representations of GLmj(QA), with that of L(s,π). We prove a necessary condition for L(s,π) having a factoriz...