Evolutionary algorithms and de novo peptide design

One of the goals of computational chemistry is the automated de novo design of bioactive molecules. Despite significant progress in computational approaches to ligand design and efficient evaluation of binding energy, novel procedures for ligand design are required. Evolutionary computation provides a new approach to this design issue. This paper presents an automated methodology for computer-aided peptide design based on evolutionary algorithms. It provides an automatic tool for peptide de novo design, based on protein surface patches defined by user. Regarding the restrictive constrains of this problem a special emphasis has been made on the design of the evolutionary algorithms implemented.     

International Working Group on Assurance Cases (for Security)

Critical systems are aptly named - from electric power to water and gas to the telephone system and the Internet, they're all critical to some aspect of our daily lives. We're a networked society and as such, it's important to both know whether critical systems are trustworthy and be able to communicate, review, and debate the level of trust achieved in them. In the safety domain, explicit safety cases are increasingly required by law, regulations, and standards. In this article, we outline what a small, international group of experts, spanning various disciplines in safety, security, reliability, and critical infrastructure, been doing with the International Working Group on Assurance Cases (for Security), what we hope to achieve, and where we go next.     

高性能纺织品整理方法及其应用

1　加工方法1 1　涂层纺织品的涂层可在多种设备上完成 ,其中最常用的是使用刮刀、辊筒、凹辊、粘辊和背辊。用于生产给定的最终产品时 ,每一种设备都有其优缺点 ,所以在选择时 ,我们应该对以下几点进行认真考虑 :纺织品的性质 ;涂层剂的流变性及其他性质 ;涂层剂是泡沫型的还是浆料型的 ;涂层剂在常温下还是在热熔条件下使用。另外 ,非常值得我们考虑的还有涂层剂的用量 ,以及涂层剂是用在织物的表面 ,还是尽量充满到织物结构内。所有这些都要由最终产品的性质及所要求具有的特种功能来确定。当前 ,除了涂层剂及织物的普通性能外 ,人们还…     

Performance engineering and topological design of metro WDM opticalnetworks using computer simulation

This paper demonstrates the use of computer simulation for topological design and performance engineering of transparent wavelength-division multiplexing metropolitan-area networks. Engineering of these networks involves the study of various transport-layer impairments such as amplifier noise, component ripple, chirp/dispersion, optical crosstalk, waveform distortion due to filter concatenation, fiber nonlinearities, and polarization effects. A computer simulation methodology composed of three main simulation steps is derived and implemented. This methodology obtains performance estimations by applying efficient wavelength-domain simulations on the entire network topology, followed by time-/frequency-domain simulations on selected paths of the network and finally Q-budgeting on an identified worst case path. The above technique provides an efficient tool for topological design and network performance engineering. Accurate simulation models are presented for each of the performance impairments, and the computer simulation methodology is used for the design and engineering of a number of actual metro network architectures     

Study of hydrogen diffusion in boron/germanium codoped optical fiber

Presents a novel technique for studying the dynamics of hydrogen diffusion in optical fiber. It shows that the hydrogen contributes directly to the effective refractive index of the fiber by its dielectric susceptibility. It provides a simple theory that relates the refractive index change to the total hydrogen concentration in the fiber core. It also deduces that there is a small contribution of less than 5% to the refractive index through the photoelastic effect. A low-finesse fiber Bragg grating Fabry-Perot interferometer allows the determination of the evolution of the hydrogen concentration in situ. The experimental results obtained for isothermal and isobaric diffusion between 45/spl deg/C and 90/spl deg/C yielded values for the parameters of Arrhenius-type expressions for the diffusivity, permeability, and solubility of hydrogen in germanium/boron codoped single-mode fiber. In addition, least squares curve-fits for outdiffusion yielded the gas-phase mass-transfer coefficient as a function of temperature.     

Systematic characterization of Cl2 reactive ion etchingfor improved ohmics in AlGaN/GaN HEMTs

Pre-metal-deposition reactive ion etching (RIE) was performed on an Al_0.3Ga_0.7N/AlN/GaN heterostructure in order to improve the metal-to-semiconductor contact resistance. An optimum AlGaN thickness for minimizing contact resistance was determined. An initial decrease in contact resistance with etching time was explained in terms of removal of an oxide surface layer and/or by an increase in tunnelling current with the decrease of the AlGaN thickness. The presence of a dissimilar surface layer was confirmed by an initial nonuniform etch depth rate. An increase in contact resistance for deeper etches was experienced. The increase was related to depletion of the two-dimensional (2-D) electron gas (2-DEG) under the ohmics. Etch depths were measured by atomic force microscopy (AFM). The contact resistance decreased from about 0.45 Ωmm for unetched ohmics to a minimum of 0.27 Ωmm for 70 Å etched ohmics. The initial thickness of the AlGaN layer was 250 Å. The decrease in contact resistance, without excessive complications on device processing, supports RIE etching as a viable solution to improve ohmic contact resistance in AlGaN/GaN HEMTs     

A concise process technology for 3-D suspended radio frequency micro-inductors on silicon substrate

In this letter, a concise process technology is proposed for the first time to enable the fabrication of good quality three-dimensional (3-D) suspended radio frequency (RF) micro-inductors on bulk silicon, without utilizing the lithography process on sidewall and trench-bottom patterning. Samples were fabricated to demonstrate the applicability of the proposed process technology.     

New insights in polarity-dependent oxide breakdown for ultrathin gate oxide

In this work, a quantitative analysis is applied to resolve the newly reported polarity-dependent charge-to-breakdown (Q/sub BD/) data from thick oxides of 6.8 nm down to ultrathin oxides of 1.9 nm. Three independent sets of Q/sub BD/ data, i.e., n/sup +/poly/NFET stressed under inversion and accumulation, and p/sup +/ poly/PFET under accumulation are carefully investigated. The Q/sub BD/ degradation observed for p-type anodes, either poly-Si or Si-substrate, can be nicely understood with the framework of maximum energy released by injected electrons. Thus, this work provides a universal and quantitative account for a variety of experimental observations in the time-to-breakdown (T/sub BD/) and Q/sub BD/ polarity-dependence of oxide breakdown.     

新型耐嚼糖果的制造参数

本文通过大量的单因素和多因素试验,确定了新型耐嚼糖果的制造工艺参数,研制出一种咀嚼时间长,口感类似胶姆糖,有较好的粘弹性和硬度,可被人体完全消化代谢的新型糖果。     

Reduced and differential parallel interference cancellation forCDMA systems

Since code division multiple access systems in multipath environments suffer from multiple access interference (MAI), multiuser detection schemes should be used in the receivers. Parallel interference cancellation (PIC) is a promising method to combat MAI due to its relatively low computational complexity and good performance. It is shown that the complexity of PIC is still high for realistic scenarios in terms of the symbol rate, the number of users, spreading gain, and multipath components. However, two novel methods are introduced to reduce significantly the complexity without sacrificing performance. The first approach, called reduced PIC, takes advantage of the composition of the interference to concentrate interference cancellation only on significant terms. The second approach, called differential PIC, exploits the multistage character of PIC to avoid unnecessary double calculations of certain terms in consecutive stages. It is shown that a combination of both approaches leads to a performance very close to the single-user bound whereas the complexity can be kept on the order of the conventional RAKE receiver