Dynamic simulations of the molecular conformations of wild type and mutant xanthan polymers suggest that conformational differences may contribute to observed differences in viscosity

Xanthan gum is an exopolysaccharide secreted by the bacterium Xanthamonas campestris whose ability to make solutions viscous at low concentrations and over a pH and temperature range have generated much interest in both academic and industrial environments. Mutant Xanthamonas strains have been derived that produce xanthan gums with an altered or variant subunit chemical structure and different measured viscosities when compared with the wild type (wt) form of the polymer. Two variant gums were targeted as potentially interesting in this study, these being the nonacetylated tetramer (natet) and the acetylated tetramer (atet), which both lack a side-chain terminal mannose residue and in one case (natet) lacks an acetate group on an internal mannose residue. Solutions of these tetrameric gums possess viscosities higher (natet) and lower (atet) than the wt gum, and therefore we have attempted to determine whether these molecules possess unique conformational preferences when compared with the wt and with each other. In this manner we can initiate an understanding of how a polysaccharide's conformation contributes to its solution properties. The GEGOP software permits a sampling of the static and dynamic equilibrium states of carbohydrate molecules, and this software was employed to calculate equilibrium states of representative oligosaccharides with chemical structures representative of xanthan-like molecules. Energy minimization techniques revealed similar local minima for all three molecules. Some of these minima are comprised of elongate backbone conformations (A type) in which side chains fold onto backbone surfaces. Other minima with A backbones possessed side chains in less intimate backbone contact especially when calculations were performed with a low dielectric constant. This phenomenon was particularly pronounced in the wt molecule where an increased number of negatively charged side-chain residues experience charge repulsion resulting in reduced side-chain-backbone contact. Metropolis Monte Carlo (MMC) dynamic simulations performed with an elevated temperature factor (1000 K) allowed a better qualitative representation of conformational space than 300 K simulations. Employing a nonhierarchical cluster analysis method (population density profile: PDP) coupled with a classification scheme, it was possible to partition resulting MMC data sets into conformational families. This analysis revealed that in simulations performed with different dielectric constant values (10, 25, and infinity) all molecules possessed primarily A-type backbones. Less elongate, more open helical backbone forms (B, C, D, J, and Flat-a) did occur during the simulations but were populated to a lesser extent. In the natet molecule significantly open helical backbones existed (E, F, G, H, and I) that did not occur in the lower viscosity wt and atet molecules. PDP clustering methods and subsequent conformational classification applied to the first residue (mannose) of the side chain permitted a determination of side-chain orientation. Comparison of all three molecules indicated a larger population of side-chain conformational families in less direct backbone contact for the wt molecule than either of the variant molecules (natet/atet) suggesting that the side chains in the wt are more flexible. Thus, a major conformational difference between the high viscosity natet and the lower viscosities of the wt/atet is the increased amount of open helical backbone in the natet. In addition, the significant difference between the higher viscosity wt and the lower viscosity atet is the increase side-chain flexibility in the wt. We hypothesize that conformational differences of this kind could form a partial explanation of the observed differences in viscosity between these xanthan-like polymers.     

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     

用于制导弹药的自适应自动驾驶仪设计

传统制导弹药自动驾驶仪的设计要求精确的气动模型,并依赖于变增益(gainschedule),以说明系统的非线性.本文给出了一种简化自动驾驶仪设计程序的方法:在单一飞行条件下设计逆控制器,将逆控制器与在线神经网络组合,以说明因近似逆引起的误差,这样减少了大量设计程序及精确的气动数据.这些数据在大攻角或其它情况下很重要,因为这些领域中的空气动力特征变得高度非线性化.研究发现:逆的选择在其实现的过程中很重要,所以详细讨论.最后,给出该方法在非线性6自由度制导弹药中的模拟结果.     

Effect of gamma irradiation on the optical properties of CR-39 polymer

The UV-Visible absorption spectra of virgin and gamma irradiated (20–800 kGy) CR-39 polymer have been deduced by using Shimadzu Double beam Double Monochromator UV-Visible Spectrophotometer (UV-2550). The existence of the peaks, their shifting and broadening as a result of gamma irradiation has been discussed. Finally the indirect and direct band gap in virgin and gamma irradiated CR-39 has been determined. The values of indirect band gap have been found to be lower than the corresponding values of direct band gap.     

Fuzzy coding of genetic algorithms

A new chromosome encoding method, named fuzzy coding, is proposed for representing real number parameters in a genetic algorithm. Fuzzy coding provides the value of a parameter on the basis of the optimum number of selected fuzzy sets and their effectiveness in terms of degree of membership. Thus, it represents the knowledge associated with each parameter and is an indirect method of encoding compared with alternatives, where the parameters are directly represented in the encoding. Fuzzy coding is described and compared with conventional binary coding, gray coding, and floating-point coding. Two test examples, along with neural identification of a nonlinear pH process from experimental data, are studied. It is shown that fuzzy coding is better than the conventional methods and is effective for parameter optimization in problems where the search space is complicated.     

A new finite-difference-based method for wide-angle beam propagation

A novel split-step finite-difference method for wide-angle beam propagation is presented. The formulation allows solution of the second-order scalar wave equation without having to make the slowly varying envelope and one-way propagation approximations. The method is highly accurate and numerically efficient requiring only simple matrix multiplication for propagation.     

Time-series model for wireless fading channels in isotropic and nonisotropic scattering environments

An autoregressive (AR) model is presented for isotropic and nonisotropic scattering environments characterized by Rice factor 0/spl les/K相似文献   

Age-related changes in cognitive ERPs of attenuation

The purpose of this article is to deliberate the moral and legal dilemma entailed in the weapon of the labour strike as a pressure tactic on the Israeli Finance Ministry regarding job slots, budgets and, in effect, violating the collective agreement signed by the nurses and impairing patients' treatment, as opposed to refraining from striking and suffering the heavy burden of work, the lack of trained personnel, low wages, and the inability to give patients proper, high quality treatment.     

Tuberculous duodenal obstruction--a case report

Proximal duodenal obstruction due to tuberculosis can masquarade as duodenal ulcer. Although commonest cause of duodenal obstruction is ulcer, other causes must be considered, particularly tuberculosis which is common in tropics.