The lowest electronic states of Ne2 +, Ar2 + and Kr2 +: comparison of theory and experiment

Non-relativistic configuration interaction (CI) ab initio calculations using large basis sets have been carried out to determine the potential curves of the first electronic states of Ne₂ ⁺, Ar₂ ⁺ and Kr₂ ⁺. The spin—orbit interaction was treated assuming that the spin—orbit coupling constant is independent of the internuclear separation (R). For Ar₂ ⁺, calculated dissociation energies and equilibrium separations are in good agreement with experimental results. The calculations for Ne₂ ⁺ suggest that the lowest vibrational level of the I(1/2u) ground state observed by threshold photoelectron spectroscopy by Hall et al. [1995, J. Phys. B: At. molec. opt. Phys., 28, 2435] and assigned to either ν = 0 or ν = 2 actually corresponds to ν = 4. The calculations also predict the I(1/2g) state of Ne₂ ⁺ and Ar₂ ⁺ to possess a double-well potential and that of Kr₂ ⁺ to be repulsive at short range and to only possess a single shallow well at large internuclear separation. The ab initio calculations provide an explanation for the observation made by Yoshii et al. [2002, J. chem. Phys., 117, 1517] that Kr₂ ⁺ and Xe₂ ⁺ dissociate after photoemission from the II(1/2u) state to the I(1/2g) state whereas Ar₂ ⁺ does not.     

Synthesis and Raman spectroscopic characterisation of hydrotalcite with CO32− and (MoO4)2− anions in the interlayer

Raman spectroscopy has been used to characterise synthetic mixed carbonate and molybdate hydrotalcites of formula Mg₆Al₂(OH)₁₆((CO₃)²⁻,(MoO₄)²⁻)·4H₂O. The spectra have been used to assess the molecular assembly of the cations and anions in the hydrotalcite structure. The spectra may be conveniently subdivided into spectral features on the basis of the carbonate anion, the molybdate anion, the hydroxyl units and water units. Bands are assigned to the hydroxyl stretching vibrations of water. Three types of carbonate anions are identified: (1) carbonate hydrogen‐bonded to water in the interlayer, (2) carbonate hydrogen‐bonded to the hydrotalcite hydroxyl surface, (3) free carbonate anions. It is proposed that the water is highly structured in the hydrotalcite, as it is hydrogen bonded to both the carbonate and the hydroxyl surface. The spectra have been used to assess the contamination of carbonate in an open reaction vessel in the synthesis of a molybdate hydrotalcite of formula Mg₆Al₂(OH)₁₆((CO₃)²⁻, (MoO₄)²⁻)·4H₂O. Bands are assigned to carbonate and molybdate anions in the Raman spectra. Importantly, the synthesis of hydrotalcites from solutions containing molybdate provides a mechanism for the removal of this oxy‐anion. Copyright © 2007 John Wiley & Sons, Ltd.     

分数阶模糊时滞神经网络模型解的存在唯一性和有限时间稳定性

本文介绍了一类分数阶模糊时滞神经网络模型.利用压缩映射原理,讨论了带时滞的分数阶神经网络模型解的存在性和唯一性,并根据Gronwall不等式结合分数阶微分方程的性质,证明了分数阶神经网络模型平衡点的有限时间稳定性,给出了有限时间稳定性的判断准则.最后,给出数值仿真说明了理论结果的正确性.     

Symbolic Dynamics of the Two-Well Duffing Equation

At weak force range the two-well Duffing equation has a closed bifurcation region in theparameter plane, inside which there are many different periodic windows. By means ofone-dimensional and two-dimensional symbolic dynamics, these periodic windows and thedynamical behavior of chaotic attractors are analyzed systematically.     

Cu、Zn-SOD酶模型化合物催化O-2歧化作用的研究

本文采用ＮＢＴ法,利用７２１分光光度计,在ｐＨ＝７．８的条件下,测定了前文所合成的含Ｎ、Ｏ的Ｓ的Ｓｃｈｉｆｆ碱及其铜（Ⅱ）、锌（Ⅱ）配合物催化Ｏ２＾－歧化的活性,并探讨了平均抑制率与浓度的关系。     

Discovery of Novel Cyclic Ethers with Synergistic Antiplasmodial Activity in Combination with Valinomycin

With drug resistance threatening our first line antimalarial treatments, novel chemotherapeutics need to be developed. Ionophores have garnered interest as novel antimalarials due to their theorized ability to target unique systems found in the Plasmodium-infected erythrocyte. In this study, during the bioassay-guided fractionation of the crude extract of Streptomyces strain PR3, a group of cyclodepsipeptides, including valinomycin, and a novel class of cyclic ethers were identified and elucidated. Further study revealed that the ethers were cyclic polypropylene glycol (cPPG) oligomers that had leached into the bacterial culture from an extraction resin. Molecular dynamics analysis suggests that these ethers are able to bind cations such as K⁺, NH₄⁺ and Na⁺. Combination studies using the fixed ratio isobologram method revealed that the cPPGs synergistically improved the antiplasmodial activity of valinomycin and reduced its cytotoxicity in vitro. The IC₅₀ of valinomycin against P. falciparum NF54 improved by 4–5-fold when valinomycin was combined with the cPPGs. Precisely, it was improved from 3.75 ± 0.77 ng/mL to 0.90 ± 0.2 ng/mL and 0.75 ± 0.08 ng/mL when dosed in the fixed ratios of 3:2 and 2:3 of valinomycin to cPPGs, respectively. Each fixed ratio combination displayed cytotoxicity (IC₅₀) against the Chinese Hamster Ovary cell line of 57–65 µg/mL, which was lower than that of valinomycin (12.4 µg/mL). These results indicate that combinations with these novel ethers may be useful in repurposing valinomycin into a suitable and effective antimalarial.     

若丹明B荧光增强二硫化碳高阶受激喇曼散射

 利用若丹明B乙醇溶液的荧光改变了二硫化碳的一至三阶Stokes喇曼谱线的强度分布,选择性地增强了三阶Stokes喇曼谱线。在泵浦功率密度为~560MW^.cm^-2时,对染料摩尔浓度分别为~10^-5、cm^-5散射池和~10^-4、1cm散射池进行实验,观察到二硫化碳的三阶Stokes喇曼谱线与染料激光形成的共振增强现象及、二阶Stokes喇曼谱线的部分或完全耗尽。     

铝球弹丸高速正撞击薄铝板穿孔研究

 低地球轨道上的航天器易受到微流星体及空间碎片的超高速撞击，导致其严重的损伤甚至灾难性的失效。撞击损伤特性研究是航天器防护设计的一个重要问题。通过铝球弹丸超高速正撞击薄铝板的实验研究和数值模拟，证明了AUTODYN-2D软件数值模拟预测薄铝板超高速撞击穿孔直径的有效性。通过对弹丸直径、弹丸撞击速度和薄铝板厚度影响薄铝板超高速撞击穿孔直径的数值模拟，以及利用实验结果和数值模拟结果拟合的曲线，得到了铝球弹丸超高速撞击薄铝板的穿孔规律以及影响薄铝板超高速撞击穿孔直径的主要因素。     

苯乙烯/马来酸酐和苯乙烯/甲基丙烯酸二甲氨基乙酯二元体系在聚四氟乙烯多孔膜上的γ辐射接枝

在氮气的氛围下用γ辐照的方法在聚四氟乙烯多孔膜上接枝苯乙烯 马来酸酐、苯乙烯 甲基丙烯酸二甲氨基乙酯二元单体 .并且研究了剂量、剂量率、溶液中单体的浓度和二元单体的摩尔比等条件对接枝率的影响 .探讨了两种单体的竞聚率对接枝率、接枝膜的组成及性能的影响 .结果表明 ,苯乙烯 马来酸酐二元体系对接枝率有协同效应 ,苯乙烯 甲基丙烯酸二甲氨基乙脂二元体系对接枝率表现为加合效应 .制备的二元接枝的聚四氟乙烯多孔膜可以进一步磺化来制备用于质子交换膜燃料电池的质子交换膜 .