Effect of the subdivision strategy on convergence and efficiency of some global optimization algorithms

We investigate subdivision strategies that can improve the convergence and efficiency of some branch and bound algorithms of global optimization. In particular, a general class of so called weakly exhaustive simplicial subdivision processes is introduced that subsumes all previously known radial exhaustive processes. This result provides the basis for constructing flexible subdivision strategies that can be adapted to take advantage of various problem conditions.     

Renormalization Effects in the Spectrum of a Coherently Driven Exciton–Biexciton System

Starting from the total Hamiltonian of an excited exciton–biexciton system, nonresonant renormalizations in the electronic spectrum of a coherently driven direct semiconductor are considered. Stringent group-theoretical inclusion of the particle spin in the Hamiltonian allows one to account for the dependence of different renormalization effects on polarizations of the incident laser fields. On the example of circularly polarized driving and probing pulses it is shown that the kind of observed renormalization is defined by the pump-and-probe polarization geometry. Thus, the exciton optical Stark effect must appear in the case of co-circular pump-and-probe, whereas a mixing of the polariton and biexciton spectra is possible only in the case of counter-circular pump-and-probe. The polariton--biexciton dispersion renormalization may manifest itself as synchronous splittings of the exciton--polariton and biexciton spectra under resonant pumping at a frequency of the polariton--biexciton transition, or in their shifts in opposite directions under near-resonant pumping. The mechanisms of both kinds of renormalization effects are analyzed, and the dependence of their characteristics on the pump parameters and microscopic parameters of the exciton–biexciton–photon system is established. An evaluation of the characteristics shows that the effect of polariton–biexciton dispersion renormalization dominates in the spectra of semiconductors with stable biexciton formation. Results of the theoretical study provide an adequate explanation of available experimental data.     

Synthesis and characterization of norbornene–ethylene–styrene terpolymers with a substituted ansa‐fluorenylamidodimethyltitanium‐based catalyst

This article reports a synthetic method for a norbornene–ethylene–styrene (N‐E‐S) terpolymer, which has not been well investigated so far, via incorporation of styrene (S) into vinyl‐type norbornene–ethylene (N‐E) copolymers catalyzed by a substituted ansa‐fluorenylamidodimethyltitanium [Me₂Si(3,6‐tBu₂Flu)(tBuN)]TiMe₂ catalyst ( I ) activated with a [Ph₃C][B(C₆F₅)₄]/Al(iBu)₃ cocatalyst at room temperature in toluene. The resulting terpolymerization product contained the targeted N‐E‐S terpolymer and the contaminated homopolymers, which were then able to be completely removed by solvent fractionation techniques. While homopolystyrene was easily extracted by fractionation with methylethylketone as a soluble part, homopolyethylene and a trace amount of homopolynorbornene could be perfectly separated by fractionation with chloroform as insoluble parts. The detail characterizations of a chloroform‐soluble polymer with gel permeation chromatography, nuclear magnetic resonance, and differential scanning calorimetry analyses proved that it contained a true N‐E‐S terpolymer with long N‐E sequences incorporated with isolated or short styrene sequences. The homogeneity of the morphology together with a single glass transition temperature that proportionally decreased with the increase of the styrene contents indicated that the N‐E‐S terpolymer obtained in this work is a random polymer with an amorphous structure. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 2765–2773, 2007     

一种新型有机电致微腔结构的双模发射

采用结构Glass／DBR／ITO／NPB／NPB：Alq／Alq／Al制作了有机微腔电致发光器件。将空穴传输材料与发光材料以一定比例混合作为发光层，为了便于对比，在不改变有机层的膜厚的情况下同时制作了传统的异质结微腔器件，发现两种器件的发光光谱有很大不同，器件的复合效率与传统的异质结器件相比也得到了很大提高，这是因为将两种有机材料混合能消除界面势垒，提高器件的复合效率，从而提高了器件的发光性能，实现了微腔双模发射，且两个模式的半峰全宽分别为8nm和12nm。通过进一步优化器件结构可以实现微腔白光发射。     

单个波长到多个波长的变换实验

报道一种波长变换的新方法.采用此方法不需要任何泵浦光便能够直接将信号光变换成在特定谱宽内的任意多个任意波长的变换光,这对于将来的波分复用光网络提供了较大的方便.此波长变换的原理是利用色散位移光纤的非线性效应产生超连续光谱(SC)信号,由于这种SC信号携带有变换光信号,对这种连续谱进行滤波便能够得到所需要的任意频率的变换信号.此变换方式具有变换频带宽,偏振不敏感的优点。     

Anticancer agent development: X-ray crystal structure and keto-enol tautomerism of dimethyl 1-hydroxy-6,7-methylenedioxy-4-(3′,4′,5′-trimethoxyphenyl-trans-3,4-dihydronaphthalene-2,3-dicarboxylate

Structural and conformational information obtained from the crystal structure and solution¹H nmr investigations of the title compound are compared. The 4-aryltetralone, C₂₄H₂₄O₁₀, crystallizes as a chloroform solvate in the monoclinic space group, P2₁/n, witha=12.519(4),b=17.938(6),c=12.534(9)Å,=111.90(5)°, and D_calc=1.51 g cm^–3 forZ=4. The data for this compound were collected at –150°C. Least-squares refinement of 2796 observed [F _o5(F _o)] reflections led to the final agreement index ofR=0.062. A threefold static disorder was observed for one of the carboxyl groups. The second carboxyl group participates in an intramolecular hydrogen bond and is thus ordered. The¹H nmr spectrum revealed the title compound to exist as a keto-enol tautomeric mixture in solution. Vicinal hydrogen coupling constant analysis proved reliable in ascertaining B-ring stereochemistry of 2,3-disubstituted-4-aryltetralones.     

酚醛型吸附树脂对水体系中吡啶和N,N-二甲基苯胺的吸附性能研究

研究了酚醛型吸附树脂在水体系中对吡啶和N，N-二甲基苯胺的静态和动态吸附行为．结果表明，在水中树脂对吡啶和N，N-二甲基苯胺的吸附主要以疏水吸附机理进行；吸附吡啶和N．N-二甲基苯胺的初始阶段，即达到38．3～48．9％平衡吸附时，吸附速率数据和半经验速率方程很吻合：酚醛型吸附树脂等温吸附吡啶和N，N-二甲基苯胺的平衡吸附数据符合Langmuir方程，相关系数在0．99以上，酚醛型吸附树脂吸附吡啶和N，N-二甲基苯胺属单分子层吸附：用80％的乙醇溶液作洗脱剂来洗脱吸附吡啶已达饱和的JDW-2树脂，效果是很理想的．在3．6个床体积内洗脱率达91．52％，4．8个床体积内洗脱率达到94．85％。表明酚醛型吸附树脂具有优良的洗脱性能．     

3-(Triethoxysilyl)propionitrile sol-gel coating

3-(Triethoxysilyl)propionitrile (TESPN) sol-gel has been prepared under different conditions. It was employed for coating the surfaces of quartz and aluminum. Infrared (IR) and Raman spectra of TESPN and TESPN sol-gels have been recorded in the study of the sol-gel process. Transmission and reflection absorption IR (RAIR) spectra of TESPN sol-gel coated quartz and aluminum have also been collected for better understanding the film formation on the substrate surfaces. Spectra collected at different temperatures indicated that the silane film on quartz decomposes at 700 degrees C. Results from thermal gravimetric analysis (TGA) supported this result. Based on the group frequencies and the spectral behavior in different states, some vibrational modes were assigned to the observed bands. The anticorrosion behavior of the sol-gel coated aluminum in comparison with the uncoated metal was evaluated by measuring the potentiodynamic polarization and electrochemical impedance spectra (EIS).     

乙酰化淀粉/DL-丙交酯接枝共聚物的合成及降解性能研究

用醋酸乙烯酯和玉米淀粉反应制备出了不同取代度乙酰化淀粉，再用乙酰化淀粉同DL－丙交酯接枝共聚合成乙酰化淀粉／DL－丙交酯接枝共聚物。研究了原料配比，淀粉取代度对接枝反应单体转化率（C％），接枝率（G％）接枝效率（GE％）和接枝支链数均分子量（Mn)的影响，结果表明在给定的试验条件下接枝共聚反应的C％，G％，GE％和Mn可分别达到40％，225％，80％和1．4万。接枝共聚物在磷酸缓冲溶液和户外土壤掩埋降解实验表明，在160天内样品失重率分别为71％和60％，表明合成的乙酰化淀粉／DL－丙交酯接枝共聚物具有很好的降解性能。     

Metal clips induce folding of a short unstructured peptide into an alpha-helix via turn conformations in water. Kinetic versus thermodynamic products

Short peptides corresponding to two to four alpha-helical turns of proteins are not thermodynamically stable helices in water. Unstructured octapeptide Ac-His1-Ala2-Ala3-His4-His5-Glu6-Leu7-His8-NH(2) (1) reacts with two [Pd((15)NH(2)(CH(2))(2)(15)NH(2))(NO(3))(2)] in water to form a kinetically stable intermediate, [[Pden](2)[(1,4)(5,8)-peptide]](2), in which two 19-membered metallocyclic rings stabilize two peptide turns. Slow subsequent folding to a thermodynamically more stable two-turn alpha-helix drives the equilibrium to [[Pden](2)[(1,5)(4,8)-peptide]] (3), featuring two 22-membered rings. This transformation from unstructured peptide via turns to an alpha-helix suggests that metal clips might be useful probes for investigating peptide folding.