Effect of the environment on the stability of surfactant–polypeptide self‐assembled complexes: Molecular dynamics simulations of stoichiometric complexes formed by N‐dodecyltrimethylammonium and poly(α,L‐glutamate) in chloroform,methanol, and water

A series of molecular dynamics simulations have been performed to study the supramolecular structure of self‐assembled complexes formed by N‐dodecyltrimethylammonium cations and the synthetic polypeptide poly(α,L ‐glutamate). The influence of the type of solvent has been investigated, considering explicit environments of chloroform, water, and methanol on a stoichiometric complex containing 15 residues. In chloroform, the complex stabilizes in a regular structure: the polypeptide adopts an α‐helix conformation that is regularly surrounded by surfactant molecules to form electrostatic interactions through a multiple interaction pattern. However, this structure destabilizes in methanol and water: (a) the α‐helix unfolds in the two solvents and (b) the electrostatic links between the surfactant molecules and the polyanion are disrupted in aqueous solution, although these interactions are still preserved in methanol. The role of the solvent environment in stabilizing or destabilizing the polypeptide secondary structure, the organization of the surfactant molecules, and predominantly the surfactant–polypeptide supramolecular organization is discussed in detail. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 1122–1133, 2006     

The influence of glass coating on the single domain wall potential in amorphous glass-coated Fe-based microwires

The effect of the glass coating on the single domain wall potential in amorphous glass-coated Fe-based microwire has been studied by the switching field distribution technique. The thermoactivated mechanism model is used to describe the thermally activated switching through the complex energy barrier in amorphous FeSiB microwires. Glass removal leads to the increase of the probability of the thermally activated switching pointing to the decrease of the energy barrier.     

Multiscale Finite Element Modeling of Arc Dynamics in a DC Plasma Torch

The dynamics of the electric arc inside a direct current non-transferred arc plasma torch are simulated using a three-dimensional, transient, equilibrium model. The fluid and electromagnetic equations are solved numerically in a fully coupled approach by a multiscale finite element method. Simulations of a torch operating with argon and argon–hydrogen under different operating conditions are presented. The model is able to predict the operation of the torch in steady and takeover modes without any further assumption on the reattachment process except for the use of an artificially high electrical conductivity near the electrodes, needed because of the equilibrium assumption. The results obtained indicate that the reattachment process in these operating modes may be driven by the movement of the arc rather than by a breakdown-like process. It is also found that, for a torch operating in these modes and using straight gas injection, the arc will tend to re-attach to the opposite side of its original attachment. This phenomenon seems to be produced by a net angular momentum on the arc due to the imbalance between magnetic and fluid drag forces.     

模糊神经网络在复合地基沉降量预测中的应用

复合地基后期沉降变形对于建筑物设计及安全具有重要意义,针对通过长期沉降观测以得到复合地基的最终沉降需要耗费较多资源的问题,提出了一种基于模糊神经网络的预测方法.该方法考虑沉降变化过程有较大的随机性和模糊性,直接将样本数据进行模糊化,所得的模糊数代表了样本点集与控制点集中各分量之间的相关度,并依此建立模糊BP神经网络进行学习和估算.实验结果表明了该方法对沉降进行预测是可行与有效的,且在相对误差的有效控制方面优于BP网络方法与灰色方法.     

A Novel Method to Synthesize Polyorganozircosilazane

A new kind of polyorganozircosilazane as Si/Zr/C/N-based ceramic precursor was synthesized from the condensation reaction of hexamethyleyclotrisilazane lithium salts(D3^NLi）and zirconium tetrachloride(ZrCl4).In the presence of N,N,N’,N’-tetramethyl ethylene diamine(TMEDA),polyorganozircosilazane was obtained in high yield.     

Bounded speed of propagation for solutions to radiative transfer equations

The Radiative Transfer Equation is the nonlinear transport equation

A generalized mean-value theorem

We give another proof of Seymour and Zaslavsky's theorem: For every familyf ₁,f ₂,...,f _n of continous functions defined on [0, 1], there exists a finite setF[0, 1] such that the average sum off _k overF coincides with the integral off _k for everyk=1, 2,...,n.     

Preparation and electrochemical behavior of ordered rh adlayers on Pt(100) electrodes

Rhodium adlayers on Pt(100) substrates have been prepared by electrodeposition from dilute Rh(III) acidic solutions. The initially disordered layer is electrochemically annealed by applying a polarization program consisting of high-sweep-rate multicycle sequences between 0.05 and 0.78 V(RHE) in 0.1 M H(2)SO(4). In this way, a pseudomorphic Rh monolayer can be prepared on Pt(100) substrates. The degree of order of the electrochemically annealed layer has been evidenced not only through voltammetric experiments but also by means of scanning tunneling microscopy with atomic resolution for iodine-protected adlayers, which show a c(2 x 2) structure. The electrochemically induced ordering of the Rh adlayer appears to be a consequence of the repeated cycles of adsorption/desorption of H and, especially, oxygenated species. Voltammetry in sulfuric acid solutions permits examination of the energetics of H/anions and OH/O adsorption as a function of the Rh coverage. The first monolayer adsorbs both hydrogen and oxygenated species more strongly than the second one. This can be explained through an electronic effect caused by the underlying Pt(100) substrate.     

中药川白芷化学成分的研究

中药川白芷为伞形科当归属杭白芷 (Ａｎｇｅｌｉｃａｄａｈｕｒｉｃａ (Ｆｉｓｃｈ .ｅｘＨｏｆｆｍ .)Ｂｅｎｔｈ .ｅｔＨｏｏｋ .ｃｖｈａｎｇ ｂａｉｚｈｉＨｏｒｔ)的干燥根。川白芷为我国传统中药 ,主治头疼、鼻炎、癣症等疾病。现代药理实验表明白芷中所含的呋南香豆素具有平喘、降压、抗菌、解痉、光敏、活化交感系激素等多种药理作用[1] 。已有文献对白芷的化学成分进行了研究 ,发现白芷中主要含香豆素成分[2～ 4] 。四川遂宁产川白芷为道地白芷 ,其药性好 ,为进一步研究其活性成分 ,本文对遂宁产川白芷进行化学成分研究。共分离、…