Anion Recognition by Aliphatic Helical Oligoureas

Anion binding properties of neutral helical foldamers consisting of urea type units in their backbone have been investigated. ¹H NMR titration studies in various organic solvents including DMSO suggest that the interaction between aliphatic oligoureas and anions (CH₃COO^?, H₂PO₄^?, Cl^?) is site‐specific, as it largely involves the urea NHs located at the terminal end of the helix (positive pole of the helix), which do not participate to the helical intramolecular hydrogen‐bonding network. This mode of binding parallels that found in proteins in which anion‐binding sites are frequently found at the N‐terminus of an α‐helix. ¹H NMR studies suggest that the helix of oligoureas remains largely folded upon anion binding, even in the presence of a large excess of the anion. This study points to potentially useful applications of oligourea helices for the selective recognition of small guest molecules.     

复合结构螺旋超材料对光波前的高效调控

近年来,超材料和超表面因为一些不同于传统材料的新奇性质一直被广泛研究,而基于超材料或者是超表面的波前控制也是其中的一个热门研究领域.迄今为止,已经提出了很多不同的结构来对反射光和透射光的波前进行调控,在已知的结构中,反射光的波前调控效率已经可以达到较高数值,但是很少有报道能够使用超材料简单高效地调制透射光的波前.本文提出了一种由相同几何结构的左旋和右旋结构复合而成的螺旋超材料.通过使用时域有限差分方法进行仿真,发现这种螺旋结构将会在入射光和透射光之间引入一个可控的相位变化,从而可直接对透射光波前进行调控.仿真结果还表明,该复合结构螺旋超材料在较宽的波长范围内可以达到近64%的透射率.最后通过将该螺旋材料沿着X轴排布成有着连续相位变化的阵列,可以在近红外区域(1.0—1.4μm)观察到反常折射现象,仿真结果与理论计算得出的反常折射角十分符合.     

Steady state speed distribution analysis for a combined cellular automaton traffic model

Cellular Automaton （CA） based traffic flow models have been extensively studied due to their effectiveness and simplicity in recent years. This paper develops a discrete time Markov chain （DTMC） analytical framework for a Nagel-Schreckenberg and Fukui Ishibashi combined CA model （W^2H traffic flow model） from microscopic point of view to capture the macroscopic steady state speed distributions. The inter-vehicle spacing Maxkov chain and the steady state speed Markov chain are proved to be irreducible and ergodic. The theoretical speed probability distributions depending on the traffic density and stochastic delay probability are in good accordance with numerical simulations. The derived fundamental diagram of the average speed from theoretical speed distributions is equivalent to the results in the previous work.     

基于利他偏好的电商供应链最优决策与契约协调

构建了由一个占主导地位的电商平台和一个处于跟随地位的制造商组成的Stackelberg主从博弈模型,研究了电商平台有无利他偏好时电商供应链的最优决策和契约协调问题,并通过数值算例验证了本文的主要结论.研究表明:电商平台的利他偏好行为能够促使自身服务水平提高、正向影响制造商的最优销售价格并削弱自身利润.但电商平台的让利行...     

量子位Heisenberg XX开链中边界量子位之间的纠缠

Heisenberg 开链对研究量子态在自旋链上的传递有重要的意义.本文研究了五量子位Heisenberg XX 开链中边界量子位之间的纠缠，在该系统中引入了磁杂质和系统杂质且它们之间满足线性关系时，该系统可以精确求解，此时边界量子位之间存在纠缠.选择合适的杂质参数和磁场参数，该边界纠缠的最大值可达到0.5. 关键词： Heisenberg XX开链 边界纠缠 杂质     

非奇异H-矩阵的一类新判定

本文研究了非奇异H-矩阵的数值判定问题.利用不等式的放缩方法,获得了一类判别非奇异H-矩阵的新判据,推广了相关已有结果,并通过数值实例说明了本文结果判断范围的更广泛性.     

Syntheses and structures of Ag(I) complexes containing 1,4-bis(4,5-dihydro-2-oxazolyl)benzene

The reactions of the polydentate ligand 1,4-bis(4,5-dihydro-2-oxazolyl)benzene (L) with AgX (X = CH₃COO⁻, ClO₄⁻ and CF₃SO₃⁻) afforded the complexes [Ag₂(L)(CH₃COO)₂]_∞ (1), [Ag₂(L)₃(ClO₄)₂]_∞ (2), and [Ag(L)(CF₃SO₃)]_∞ (3), whereas the reaction of L with Ag₂SO₄ in MeOH/H₂O system afforded {[Ag₂(L)₃(H₂O)₃][SO₄] · 9H₂O}_∞ (4). The EA and IR have been recorded and all the complexes have been structurally characterized by X-ray crystallography, confirming that complexes 1–4 are two-dimensional coordination polymeric frameworks. The bidentate L ligands in complexes 3 and 4 adopt both the syn and anti conformation and those in 1 and 2 adopt the anti conformation only. The anions CH₃CO₂⁻ in complex 1 bridge the Ag(I) atoms in η¹, η², μ₃-coordination mode forming a 1-D zig-zag –[Ag(CH₃COO)]_n– chains, while the anions ClO₄⁻, CF₃SO₃⁻ and SO₄²⁻ in complexes 2–4 are not coordinated to the Ag(I) atoms, but all of them play an important roles in linking cationic 2-D frameworks into 3-D supramolecular structures.     

水基导电聚苯胺及其复合材料

由于对离子诱导掺杂技术的发展,聚苯胺在有机溶剂中的加工问题已经得到解决,但日益增长的环保要求使得聚苯胺的水系加工倍受关注.本文通过分析聚苯胺水系加工的研究进展,认为从水溶性导电聚苯胺向水分散性导电聚苯胺转变是未来水基导电聚苯胺的主要发展趋势,水基导电聚苯胺复合材料是解决聚苯胺实际应用问题的主要形式.     

Residence times in kink sites and Markov chain model of alloy and intermetallic compound deposition

The concept of the residence time τ_ksp of an atom in a kink site has recently been suggested to understand the processes in electrochemical deposition of alloys and intermetallic compounds. Different kink sites with different residence times must be defined for alloys and intermetallic compounds. Based on this model, the finite Markov chain theory is applied to describe the selectivity of the growth process. An analytical relationship between the alloy composition and the metal ion concentrations in the electrolyte is derived. General model parameters are ratios g _i = K _ii/K _ij of equilibrium constants of the reaction of electrolyte ions with different kink sites on the surface (i, j representing different alloy components). These ratios are called selectivity constants. For simple conditions, the equation g _i ≈ τ_ii/τ_ij connects the g _i values with the residence times. The theory is tested in the deposition of alloys Co-Ni (anomalous co-deposition) and Ni-Mo (induced co-deposition). Additionally, Bi₂Te₃, an example of stoichiometric semiconductor deposition, is treated. Published in Russian in Elektrokhimiya, 2006, Vol. 42, No. 10, pp. 1216–1223. The text was submitted by the authors in English.     

Determination of dissociation energies of N-H bond in the 4-anilinodiphenylaminyl radical and O-H bond in the 2,5-dichloro-4-hydroxyphenoxyl radical from the equilibrium constants of chain reactions in quinoneimine-hydroquinone systems

The temperature dependences of the equilibrium constants of two chain reversible reactions in quinonediimine (quinonemonoimine)—2,5-dichlorohydroquinone systems in chlorobenzene were studied. The enthalpy of equilibrium of the reversible reaction of quinonediimine with 4-hydroxydiphenylamine was estimated from these data (ΔH = − 14.4±1.6 kJ mol⁻¹) and a more accurate value of the N-H bond dissociation energy in the 4-anilinodiphenylaminyl radical was determined (D _NH = 278.6±3.0 kJ mol⁻¹). A chain mechanism was proposed for the reaction between quinonediimine and 2,5-dichlorohydroquinone, and the chain length was estimated (ν = 300 units) at room temperature. Processing of published data on the rate constant of the reaction of styrylperoxy radicals with 2,5-dichlorohydroquinone in the framework of the intersecting parabolas method gave the O-H bond dissociation energy in 2,5-dichlorohydroquinone: D _OH = 362.4±0.9 kJ mol⁻¹. Taking into account these data, the O-H bond dissociation energy in the 2,5-dichlorosemiquinone radical was found: D _OH = 253.6±1.9 kJ mol⁻¹. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 10, pp. 1661–1666, October, 2006.