Electrochemical chlorination of azulene derivatives: Insight into the mechanism of anodic oxidative chlorination

The cyclic voltammetry behavior of a series of five 1-substituted azulenes has been investigated as well as the electrochemical chlorination of these compounds. In the case of azulene compounds containing electron withdrawing groups which have higher oxidation potentials than that of the chloride ion, the electrochemical chlorination led usually to 3-chloro derivatives. The electrochemical chlorination fails for azulenes with lower oxidation potentials. Additionally some polyhalogenated compounds were obtained by controlled potential electrolyses. The paper also discusses the reaction mechanism of the electrochemical halogenation of 1-substituted azulenes.     

直接斜率波前复原算法的控制效果分析

建立自适应光学系统功率谱抑制函数的概念，分析了采用直接斜率波前复原算法的自适应当光学系统的控制效果，理论分析与６１单元自适应光学系统上的实验结果表明，直接斜率波前复原算法将导致控制效果下降。     

PECVD方法用于梯度薄膜材料的研究

本文研究了ＰＥＣＶＤ方法制备Ｓｉ－Ｏ－Ｍ系梯度薄膜材料，并运用计算机控制技术成功地制备了涂层折射率随膜深成正弦波形式连续变化的Ｒｕｇａｔｅ单通带滤波器样品。结果表明，采用ＰＥＣＶＤ方法可以制备性能上乘、结构复杂的梯度薄膜材料，ＰＥＣＶＤ方法在研究、开发高级光学涂层领域有着宽广的应用前景。     

Homology modelling of annexin I: implicit solvation improves side-chain prediction and combination of evaluation criteria allows recognition of different types of conformational error

Annexin I homology models were built from the annexin V crystalstructure. Three methods for side-chain prediction were testedbased on molecular mechanics conformational search, the useof a rotamer database, or a combination of these two methods.We showed that rotamer-based methods were more efficient andthat molecular mechanics energy minimizations, prior to rotamerselection, did not afford clearly improved predictions. Modelsbuilt in vacuo and with an implicit solvation term were comparedwith the annexin I crystal structure which became availableduring the course of this study. The analysis of solvation energies,root mean square deviations, Xi angles and hydrogen bonds showedthat models built with implicit solvation were of better quality.In annexin V, repeat III displays A-B and D-E loop conformationsquite different from other repeats. Since the sequence differencessuggest that repeat III in annexin I might present a conformationsimilar to other repeats, two annexin I models with differentrepeat III conformations were built and compared to determinewhether the correct conformation could have been predicted.We show that using a combination of evaluation criteria, itis possible to discriminate unequivocally between the nativeand the incorrect fold, stressing that only one criterion shouldnot be used to evaluate protein structures.     

一种改进的网格数据保持梯度滤波方法

 基于网格数据滤波的基本思想，针对杨高印提出的小子域滤波法存在子域划分重心不稳的问题，本文提出了新的子域划分方法，即通过考察滤波窗口内数据的数值分布或梯度变化情况，在充分考虑子域划分对称性的基础上，采用对称子域的均方根误差或平均梯度大小差值为判别指标确定数据变化的主梯度方向，并用此判别指标代替数据变化平缓系数判别指标，在滤波输出的取值上考虑数据变化的梯度方向上的两个相对称子域对输出的贡献大小进行加权平均，使滤波输出结果更稳定。通过数据试算，表明网格数据滤波法输出结果更加合理、稳健。     

External and internal electrostatic potentials of cholinesterase models

The electrostatic potentials for the three-dimensional structures of cholinesterases from various species were calculated, using the Delphi algorithm, on the basis of the Poisson–Boltzmann equation. We used structures for Torpedo californica and mouse acetylcholinesterase, and built homology models of the human, Bungarus fasciatus, and Drosophila melanogaster acetylcholinesterases and human butyrylcholinesterase. All these structures reveal a negative external surface potential, in the area around the entrance to the active-site gorge, that becomes more negative as the rim of the gorge is approached. Moreover, in all cases, the potential becomes increasingly more negative along the central axis running down the gorge, and is largest at the base of the gorge, near the active site. Ten key acidic residues conserved in the sequence alignments of AChE from various species, both in the surface area near the entrance of the active-site gorge and at its base, appear to be primarily responsible for these potentials. The potentials are highly correlated among the structures examined, down to sequence identities as low as 35%. This indicates that they are a conserved property of the cholinesterase family, could serve to attract the positively charged substrate into and down the gorge to the active site, and may play other roles important for cholinesterase function.     

Effect of chloride ions on immersion plating of copper onto porous silicon from a methanol solution

The effect of chloride ions (Cl⁻) during the immersion plating of copper onto porous silicon (PS) from a methanol (MeOH) solution has been studied. The presence of Cl⁻ in the Cu²⁺ solution was found to slow down the rate of copper deposition, as confirmed by inductively coupled argon plasma emission spectroscopy and X-ray photoelectron spectroscopy measurements. The threshold concentration of Cl⁻ at which the deposition of copper is very severely diminished was found to be 0.1 M. The inhibition effect is discussed on the basis of the rest potential values of PS and polarization curve measurements. They revealed that the rest potential of PS upon dipping in these solutions appears to direct the metal deposition. Current density-potential curves show that at Cl⁻ concentrations higher than 0.1 M, the reduction of Cu ions proceeds in two steps; the reduction of Cu(II) to Cu(I) followed by the reduction of Cu(I) to Cu(0). This suggests that Cu(I) species in MeOH solution can be stable over a certain potential range and this stability of Cu(I) is responsible for the inhibition of metal deposition. Fourier transform infrared spectroscopy and scanning electron microscopy (SEM) were also performed to investigate the structural changes and characterizations of PS samples after the plating process.     

Solar ponds in alkaline lake and oil well regions

Solar ponds are probably the simplest technology available for the useful conversion of solar energy. The basic technology is proven. Solar ponds have been shown to be technically feasible and economically viable for many applications, particularly for thermal use. The electrical conversion and use of solar energy via solar ponds is still questionable, in general, for economic viability. By putting the untapped sources together in the South Plains region, it looks promising economically both for thermal and electrical conversions and applications. There are a number of alkaline lake basins randomly scattered in the South Plains region of the U.S.A. In that area, there are thousands of crude oil producing wells that produce brine in abundance. The selection of suitable alkaline lake basins as a solar pond site and as depository sites of brine from oil wells and the using of this brine and salty water from alkaline lakes makes the solar pond economically viable for both thermal and electrical demands in the area.     

The relationship between denitrifying bacteria and methanogenic bacteria in a mixed culture system of acclimated sludges

The interaction between denitrification and methanogenesis, with methanol functioning as an electron donor, has been examined through usage of a mixed culture system of denitrifying sludge and methanogenic sludge in an anaerobic bioreactor. Competition for methanol between these two kinds of biocommunity could not be observed, whereas methanogenesis was suppressed as long as nitrate and nitrite were made available in the mixed system. The inhibition of methanogenesis in the methanogenic sludge caused by nitrogen oxides was studied. The redox potential (E_h) of the culture was monitored and/or controlled for the sake of characterizing the behavior of the biocommunities. An addition of nitrite elevated the E_h of the culture less than nitrate did. Nitrite addition, however, exerted a stronger inhibitory effect on methanogenesis as compared to nitrate at the same concentration. The influence of redox potential on the methanation of methanol was examined by using a methanogenic sludge in the E_h-stat batch culture. The hypothesis that the inhibitory effect being expressed by the nitrogen oxides is not simply attributed to an elevation of the redox potential of the culture is supported by the experimental results. The toxic effect of the nitrogen oxides themselves could also have possibly contributed significantly.     

粉浆浇注制备铁基梯度复合材料

利用粉浆浇注-熔渗法制备Fe-WC-Cu复合材料,研究球磨时间、pH值和(NaPO3)6含量对粉浆流动性的影响.利用浇注方向上等距离位置硬度的变化,定性地研究WC的分布,并用金相结果进行佐证.结果表明:球磨时间为24 h,pH值为11,(NaPO3)6含量为0.5%时,粉浆具有最好的流动性;粉末装载量(质量分数)为75%时,样品具有最高的生坯密度;WC沿粉末沉降方向呈现明显的梯度分布,重力场和Clogging效应引起的颗粒偏析是导致梯度分布的原因;加入(NaPO3)6能提高浆料稳定性,阻止WC梯度的形成.