Ionic conductivity of poly[N-(3,6,9-trioxadecyl)-4-vinylpyridinium)] salts with univalent counter-ions in aqueous solutions

In order to determine the counter-anion effect on conductivity of poly[N-(3,6,9-trioxadecyl)-4-vinylpyridinium)] backbone in aqueous solutions, a set of three polyelectrolytes with three different counter-ions: poly[N-(3,6,9-trioxadecyl)-4-vinylpyridinium]bromide P4VP164Br and its chlorate and tosylate derivatives P4VP164ClO₄ and P4VP164Ts respectively, were prepared by spontaneous polymerization of 4-vinylpyridine. This method gives a grafted polyelectrolyte having a positive charge on each pyridinic moiety on the backbone. The conductivities of cationic polyelectrolyte aqueous solution were determined in the concentration range from 10⁻⁴ to 10⁻² M at 25 °C. The variation of the conductivity versus concentration of the investigated system exhibits a typical polyelectrolyte behavior. The polycation mobility was found to be dependent on the counter-anion nature. Thus, the polyelectrolyte conductivity increases with the ion size. This shows that big ions are weakly or not associated to the backbone.In order to confirm this steric hindrance, we have considered the conductivities of these three anions Br⁻, ClO₄⁻ and Ts⁻ in their sodium salts, both alone and in the presence of 3,6,9-trioxadecanol (PEO164) free chains. In the two cases, the conductivities decrease in the order Λ_Br>Λ_ClO4>Λ_Ts.These results suggest that counter-ion mobility is mainly influenced by steric effect PEO164 grafted chains.Values of the conductivity predicted from Manning rod-like polyelectrolyte model were compared with our experimental results.     

Alcohols,ethers, carbohydrates,and related compounds. II. The anomeric effect

The anomeric effect has been studied for a variety of compounds using the MM4 force field, and also using MP2/6-311++G(2d,2p) ab initio calculations and experimental data for reference purposes. Geometries and energies, including conformational, rotational barriers, and heats of formation were examined. Overall, the agreement of MM4 with the experimental and ab initio data is good, and significantly better than the agreement obtained with the MM3 force field. The anomeric effect is represented in MM4 by various explicit terms in the force constant matrix. The bond length changes are accounted for with torsion-stretch elements. The angle changes are accounted for with torsion-bend elements. The energies are taken into account with a number of torsional terms in the usual way. A torsion-torsion interaction is also of some importance. With all of these elements included in the calculation, the MM4 results now appear to be adequately accurate. The heats of formation were examined for a total of 12 anomeric compounds, and the experimental values were fit by MM4 with an RMS error of 0.42 kcal/mol.     

Kunzeanones A, B, and C: novel alkylated phloroglucinol metabolites from Kunzea ambigua

Three new metabolites, kunzeanones A (1), B (2), and C (3), along with three known compounds, cryptostrobin (4), (+)-spathulenol (5), and (−)-globulol (6), were isolated from the non-polar fraction of the dried leaves of Kunzea ambigua (Myrtaceae), which shows ichthyotoxicity toward a small fish, medaka. The structures of these new compounds were elucidated as condensates of alkylated phloroglucinol with methylflavanone and germacrane-type sesquiterpene, respectively, on the basis of spectral analyses including 1-D and 2-D NMR spectra. The stereochemistries of kunzeanones A and B were determined by X-ray crystallographic analysis. A sesquiterpene, (+)-spathulenol (5), among the isolates was characterized as the ichthyotoxic principle of the extract.     

Spectroscopic and Quantum Mechanical Studies of Substituted Anilines and their Charge-Transfer Complexes with Iodine in Different Solvents

Summary. Equilibrium constants and molar extinction coefficients for 1:1 charge-transfer complexes between 2-hydroxyaniline (HA), 5-chloro-2-hydroxyaniline (CHA), and 4-bromo-2,6-dimethylaniline (BMA) as donors and iodine, as a typical σ-acceptor were determined spectrophotometrically in chloroform, dichloromethane, and carbontetrachloride solutions. Spectral characteristics and formation constants are discussed in terms of donor molecular structure and solvent polarity. The stoichiometry of the complexes was established to be 1:1. For this purpose, optical data were subjected to the form of the Rose-Drago equation for 1:1 equilibria. Electronic absorption spectra of the studied anilines were measured in different solvents. Spectral data were reported and band maxima were assigned to the appropriate molecular orbital transitions (π–π^* and n–π^* electronic transition). Solvent effects on the electronic transitions were discussed. Optimized geometry of the studied anilines was obtained at B3LYP/6-31 + G(d). The effect of the electronic factors of the substituents on the geometrical parameters of the ring has been explored. Geometrical values of the ring deviate from the regular hexagonal ring. Intramolecular H-bonds in HA and CHA have been computed at B3LYP/6-31 + G(d) and MP2/6-31 + G(d) levels. The H-bonding distance was calculated to be 2.105 ? in HA and 2.127 ? in CHA. Abstracted from her M.Sc. thesis     

平面药包的最佳间距

在矿山剥离、场地平整以及建(构)筑物基坑开挖等露天爆破中,为了充分利用炸药能量将岩石松动或抛掷到一定区域,并确保底板满足一定平整度要求,按照爆破技术设计和工程质量要求,需要设计平面布药结构.本文通过在施工现场进行的大量小型模拟实验,对平面药包间、排距与爆破漏斗的开口面积、可见深度、爆岩的抛掷距离和堆积形态等关系进行了系统分析与研究.实验结果表明,当平面药包间、排距满足一定范围时,爆破漏斗的可见深度较小,而开口面积和抛掷距离最大,爆堆形态较好.平面布药结构存在一个有利于抛掷堆积的最佳间、排距.     

库拉索芦荟抑菌效果研究

研究了库拉索芦荟提取液对食品中常见的污染菌:大肠杆菌、青霉、根霉、曲霉、毛霉的抑制作用.研究结果表明:用不同的方法对大肠杆菌做抑菌实验,抑菌效果差别较大.滤纸片法的效果最不明显,而管碟法和实验中的新方法效果很明显;用滤纸片法和管碟法对霉菌做抑菌实验效果不明显,而用平板对峙培养法对霉菌进行抑菌实验效果明显.库拉索芦荟提取液对曲霉、毛霉、青霉都有一定的抑制作用,而对根霉的抑制作用不明显,且芦荟叶皮汁比凝胶汁的抑菌作用强,经高温处理的芦荟汁的抑菌能力无明显变化.     

富钾硅复合物对水稻土中有效K，Si，Ca，Mg的影响

富钾硅复合物为绿豆岩煅烧产物，本文通过盆栽对比实验研究它对水稻土中有效K，Si，Ca，Mg的影响，结果表明：水稻土中施入K，Si，Ca，Mg后，被水稻带走部分养分，土壤养分仍有变化；尽管富钾硅复合物中的K，Si，Ca，Mg多为枸溶性养分，但均能供给水稻生长发育需要，并具有一定后效．     

n-集函数多目标规划的对偶

在较弱凸性条件下,研究了一类可微n集函数的多目标规划问题的对偶问题。首先,对已知集X的子集的σ代数A的n折积An,定义了伪度量d(R,S),给出了相应的特征函数〈h,Is〉;其次,通过特征函数给出了集函数在S°可微的定义及集函数在S°关于第i个变量Si的偏导数定义;给出了多目标规划问题(VP)的弱有效解概念及(VP)的最优性必要条件;最后,分别在目标函数和约束函数的3种较弱凸性条件下,研究n集函数多目标规划问题的对偶问题,获得了3个弱对偶结果和强对偶结果。     

两阶段供应链中库存信息共享的价值测算及模拟分析

信息共享被看作是供应链管理的一个重要因素,信息共享所产生的价值对供应链的高效运作贡献很大;该文就两阶段供应链中库存信息共享所产生的价值进行讨论,并将其与不共享库存信息时的状况做了比较,然后用Excel软件进行模拟分析。     

高能碰撞轻子对产生的核Drell-Yan过程中的能量损失

核物质中的能量损失效应是不同于束缚核子部分子分布函数核效应的另外一种核效应，而核Drell—Yan过程是研究这种能量损失效应的最佳途径。用G．T．Garvey和T．C．Peng提出的处理能量损失的方法，采用EKS和HKM两套不同的束缚核子的部分子分布函数，分别计算了核Drell—Yan过程中的微分截面比，所得结果一方面验证了P—A碰撞中能量损失的存在，另一方面也说明了用来确定束缚核子部分子分布函数的参数中不应包括核Drell—Yan过程中的实验数据。