Protection of iron corrosion by stearic acid and stearic imidazoline self-assembled monolayers

A type of stearic imidazoline (IM) inhibitor was prepared using stearic acid (SA) and diethylenetriamine (DETA) as raw materials. The monolayers of IM and SA were assembled on the iron surface. The electrochemical characterization of stearic acid (SA) and stearic imidazoline (IM) on an oxide free iron surface had been studied. The monolayers of IM inhibitor were characterized by electrochemical impedance spectroscopy (EIS), electrochemical polarization curves, double layer capacitance, X-ray photoelectron spectroscopy (XPS) and molecular simulation. The results of electrochemical studies had illustrated that the inhibition efficiency of IM was higher than SA. XPS showed that the IM molecules adsorbed on the iron surface. The molecular simulation calculations showed that the IM molecules were tilted at an angle on the iron surface.     

Silicon etching in Cl2 environment

The ion-beam-assisted etching of silicon in Cl₂ environment is considered. The theoretically calculated dependences of silicon etching rate on the flux of Cl₂ molecules at different ion current densities are compared with experimentally measured. The composition of the adsorbed layer is determined. It is found that SiCl₂ molecules prevail in the adsorbed layer. The reciprocal of relative concentration of SiCl₂ molecules in the adsorbed layer linearly depends on the ion-to-neutral flux ratio.     

Cauchy-Born Rule and the Stability of Crystalline Solids： Dynamic Problems

We study continuum and atomistic models for the elastodynamics of crystalline solids at zerotemperature.We establish sharp criterion for the regime of validity of the nonlinear elastic wave equationsderived from the well-known Cauchy-Born rule.     

Structural characterization and ferromagnetic behavior of Fe-doped TiO2 powder by high-energy ball milling

Fe-doped TiO₂ powder was prepared by high-energy ball milling, using TiO₂ Degussa P-25 and α-Fe powders as the starting materials. The structure and magnetic properties of the Fe-doped TiO₂ powder were studied by X-ray diffraction, ⁵⁷Fe Mossbauer spectroscopy and vibrating sample magnetometer. The Reitveld refinement of XRD revealed that ball milling not only triggered incorporation of Fe in TiO₂ lattice but also induced the phase transformation from anatase to rutile in TiO₂ and consequently the milled Fe-doped TiO₂ powder contained only rutile.⁵⁷Fe Mössbauer effect measure showed that Fe atoms existed in Fe²⁺ and Fe³⁺ state, which were assigned to the solid solution Fe_xTi_1−xO₂. The magnetization measurements indicated that the milled Fe-doped TiO₂ powder was ferromagnetic above room temperature. The ferromagnetism in our milled Fe-doped TiO₂ powder seemingly does not come from Fe and iron oxides particles/clusters but from the Fe-doped TiO₂ powder matrices.     

新超导体MgCNi3的虚晶掺杂研究

用全势线性缀加平面波方法,考虑局域自旋密度近似研究虚晶掺杂MgCNi3的超导电性和磁性.计算了自旋极化能带结构、体弹性模量和它对压力的导数、原子磁矩 m 及其变化率.计算结果表明,对于电子掺杂的Mg1-xAlxCNi3(0≤x≤0.5), 超导电性和磁涨落随掺杂量的增加逐渐减小.空穴掺杂的Mg1-xNaxCNi3,在x＝0.12处出现铁磁相变,超导电性消失.在MgCNi3少量空穴掺杂区域(0≤x<0.12),表现为超导与磁涨落共存的不稳定状态.     

一种时延范德波尔电磁系统中的复杂行为(Ⅰ)——分岔与混沌现象

建立了一种可积的无穷维系统——时延范德波尔电磁系统，采用Poincaré映射分析了系统随参数E和λ变化发生的分岔与混沌现象，发现这种时延系统具有复杂的非线性动力学特性，例如吸引子共存、间歇性混沌、类似边界碰撞分岔通向混沌以及周期增加的现象.在研究系统时间混沌行为的同时，还对空间混沌行为进行了初步分析，通过描绘空间分布图发现时延范德波尔电磁系统随参数E和λ变化时，在空间中会呈现出周期和混沌等不同的图案. 关键词： 分岔 混沌 无穷维系统 时延范德波尔电磁系统     

Trace element concentrations from São Francisco River - PR analyzed with PIXE technique

Summary Kulcsszavak (angolul, ha nem azonos az elozovel)     

A new approach towards peptidosulfonamides: synthesis of potential inhibitors of bacterial peptidoglycan biosynthesis enzymes MurD and MurE

Peptidosulfonamides are an emerging group of peptidomimetics with a variety of applications in medicinal chemistry. We present a novel approach to the synthesis of peptidosulfonamides, and apply it to a series of new potential inhibitors of the bacterial peptidoglycan biosynthesis enzymes MurD and MurE. The synthesis was conducted via N-phthalimido β-aminoethanesulfonyl chlorides, which are new building blocks for the synthesis of peptidosulfonamides. In the most crucial step, sulfonic acids or their sodium salts were converted into the corresponding sulfonyl chlorides using an excess of either SOCl₂ or SOCl₂/DMF, and then coupled to the C-protected amino acid. None of the compounds significantly inhibited MurD, however, some inhibited MurE; one had an IC₅₀ below 200 μM, which constitutes a promising starting point for further development. Molecular modelling simulations were performed on two analogues to investigate the absence of inhibitory activity of the sulfonamide compounds on MurD.