Computational analysis of native and modified oligofructosides

This paper presents a quantum chemical calculation of native (2–7 fructoside residues) and chemically modified (2–4 fructoside residues) levan molecule models. A levan modification was carried out by oxidation and the following reduction or hyrdazonation of the fructoside rings. The conformational particularity and reaction ability was studied for the native and for the modified levan molecules.     

Cold compaction of ceramic powder: Computational analysis of the effect of pressing method and die shape

This paper deals with a computational analysis of the influence of the pressing method and part geometry on the final density distribution in the cold compaction process of ceramic alumina powders. The analysis is based on the explicit finite-element model proposed and validated in a previous study. The mechanical behavior of the processing material is described using a multisurface elastoplastic model, the modified Drucker-Prager/Cap model Published in Prikladnaya Mekhanika, Vol. 43, No. 10, pp. 129–134, October 2007.     

Decentralized iterative learning control for a class of large scale interconnected dynamical systems

The problem of decentralized iterative learning control for a class of large scale interconnected dynamical systems is considered. In this paper, it is assumed that the considered large scale dynamical systems are linear time-varying, and the interconnections between each subsystem are unknown. For such a class of uncertain large scale interconnected dynamical systems, a method is presented whereby a class of decentralized local iterative learning control schemes is constructed. It is also shown that under some given conditions, the constructed decentralized local iterative learning controllers can guarantee the asymptotic convergence of the local output error between the given desired local output and the actual local output of each subsystem through the iterative learning process. Finally, as a numerical example, the system coupled by two inverted pendulums is given to illustrate the application of the proposed decentralized iterative learning control schemes.     

Possible spectroscopic manifestation of the angular group induced bond alteration (AGIBA) effect in toluene

The most obvious consequence of the concept of aromaticity is the common confidence that in aromatic compounds, bond lengths do not alternate and are between typical to the single and double ones. However, in 1994, performing crystal structure investigations of substituted pyridines and their salts, Krygowski and co‐workers have discovered a very surprising angular group induced bond alteration (AGIBA) effect: It appears that some angular substituents, like methoxy or nitrozo groups, can induce bond alternation in aromatic rings. Crystal studies do not allow one to operate with liquids that are more common in organic chemistry. This paper presents the first possible evidence of spectroscopic manifestations of the AGIBA effect. Raman spectra of the liquid toluene are analyzed. It is found that instead of being single, the line corresponding to the ring breathing vibrations is clearly split by 1.0–1.4 cm^?1, thus indicating the presence of two (cis‐ and trans‐) AGIBA isomers. The energy difference between these isomers estimated in temperature dependent Raman studies is found equal to 6.68 kJ mol^?1. The low‐wavenumber line therefore corresponds to the cis‐AGIBA isomer and the high‐wavenumber line to the trans‐AGIBA isomer stabilized by the AGIBA effect. Copyright © 2007 John Wiley & Sons, Ltd.     

The diameter of randomly perturbed digraphs and some applications

The central observation of this paper is that if εn random arcs are added to any n‐node strongly connected digraph with bounded degree then the resulting graph has diameter 𝒪(lnn) with high probability. We apply this to smoothed analysis of algorithms and property testing. Smoothed Analysis: Recognizing strongly connected digraphs is a basic computational task in graph theory. Even for digraphs with bounded degree, it is NL‐complete. By XORing an arbitrary bounded degree digraph with a sparse random digraph R ∼ 𝔻_n,ε/n we obtain a “smoothed” instance. We show that, with high probability, a log‐space algorithm will correctly determine if a smoothed instance is strongly connected. We also show that if NL ⫅̸ almost‐L then no heuristic can recognize similarly perturbed instances of (s,t)‐connectivity. Property Testing: A digraph is called k‐linked if, for every choice of 2k distinct vertices s₁,…,s_k,t₁,…,t_k, the graph contains k vertex disjoint paths joining s_r to t_r for r = 1,…,k. Recognizing k‐linked digraphs is NP‐complete for k ≥ 2. We describe a polynomial time algorithm for bounded degree digraphs, which accepts k‐linked graphs with high probability, and rejects all graphs that are at least εn arcs away from being k‐linked. © 2007 Wiley Periodicals, Inc. Random Struct. Alg., 2007     

Proximality and Chebyshev sets

This paper is a companion to a lecture given at the Prague Spring School in Analysis in April 2006. It highlights four distinct variational methods of proving that a finite dimensional Chebyshev set is convex and hopes to inspire renewed work on the open question of whether every Chebyshev set in Hilbert space is convex.     

四种多变量校准方法在FTIR多组分分析中的性能比较

本文对四种多变量校准方法－－经典最小二乘法（CLS），偏最小二乘法（PLS），卡尔曼滤波法（KFM）以及人工神经网络法（ANN）－－在多组分浓度分析方面的性能进行了比较。选择五种红外谱图严重混叠的大气有机毒物－－1，3－丁二烯，苯，邻二甲苯，氯苯和丙烯醛－－作为分析对象。分别计算各种方法对该5组分体系的平均预测误差MPE和平均相对误差MRE进行比较。结果表明，偏最小二乘法在处理这类问题中是最稳健的方法。     

Synthesis and characterization of guar gum‐graft‐polyacrylonitrile

Cerium(IV) mediated grafting of polyacrylonitrile on to guar gum was studied. Grafting parameters were studied gravimetrically, as a function of temperature, initiator concentration and Guar to acrylonitrile ratio. Higher temperatures resulted in higher monomer conversion and homopolymer formation. Both monomer conversion and extent of grafting increased with increase in cerium ion concentration in the range studied (0.91–9.12 mmol/l). Similar results were obtained with increase in monomer to guar gum ratio from 1 to 5. Grafting with this initiator was found to be generally good with high grafting efficiencies and low homopolymer formation for most experiments. The copolymers obtained were subjected to alkaline hydrolysis to convert nitrile groups in to carboxylic acid groups and the water absorbency of the resulting anionic guar gum was studied. Materials with water absorption up to 300 g/g could be obtained from this study. Copyright © 2003 John Wiley & Sons, Ltd.     

Sobolev空间H~s(R~n)上矩阵伸缩的多尺度分析特征刻画

本文对高维Sobolev空间Hs(Rn)上具有矩阵伸缩的多尺度分析特征进行了 刻划,特别给出了稠密性特征的一个充分必要条件,从而解决了文献[4]中提出的一个 问题.所得结果覆盖了这方面的已知结论.