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.     

A geometric theory forL 2-stability of the inverse problem in a one-dimensional elliptic equation from anH 1-observation

This study provides a stability theory for the nonlinear least-squares formulation of estimating the diffusion coefficient in a two-point boundary-value problem from an error-corrupted observation of the state variable. It is based on analysing the projection of the observation on the nonconvex attainable set.This research was started while G. Chavent visited the Technical University of Graz. Support through the Steiermaerkische Landesregierung is gratefully acknowledged.     

Characteristic of a broadband Ti:LiNbO3 optical modulator with buried electrodes and etched grooves in the buffer layer

Traveling wave Ti:LiNbO₃ Mach-Zehnder optical modulators with buried electrodes and etched grooves in the SiO₂ buffer layer are analyzed by the finite element method. The tradeoff between the bandwidth BW and the half-wave voltage Vπ is discussed. The value of BW/Vπ is used to weight the total performance of the modulator. Taking a thick buffer layer and etching deep grooves in the buffer layer are demonstrated as two effective methods to improve the performance of the modulator. A 3-dB optical bandwidth of 18 GHz with half-wave voltage 5V at a wavelength of 1.55 pm could be obtained even though the electrode is not very thick. When the requirement of half-wave voltage is not very critical, a bandwidth of more than 100 GHz can be obtained.     

中药微量挥发成分的联机分析：藿香头香成分分析

本文设计了直接蒸馏-顶空分析-预柱低温富集-毛细管色谱-质谱联机分析技术,有效地提取、浓缩、分离和鉴定了藿香的香气成分。实现了天然产物微量多组分的联机快速分析。并首次在霍香的头香成分中发现了乙酸甲酯、3-甲基丁酮、3-甲基-3-丁烯酮等一系列分子量小、易挥发的成分。     

New developments in the field of piezothermal analysis

The solid transitions of C₂₁, C₂₃ and C₂₅ n-paraffins are examined from a piezothermal point of view. The paper is divided into two parts. The first is a report of the main features of a piezothermal analyzer when pressure scanning allows the continuous record of the expansivity as a function of pressure up to 5 Kilobars. Small samples are required and the scanning speeds vary from 0.3 to 16 Kilobars per hour. The second part describes the experimental procedure appropriate for solid state determinations. The resulting piezothermograms are presented and entropies of transformation are determined. A model allows a crude statistical approach giving the entropies of transformation with the correct order of magnitude. Problems related with phase transformations under a shearing stress are considered.

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Zusammenfassung Feststoffumwandlungen bei C₂₁, C₂₃ und C₂₅ n-Paraffinen wurden unter dem Gesichtspunkt der Piezowärme untersucht. Im ersten Teil vorliegender Arbeit werden die Haupteigenschaften eines piezothermischen Analysators beschrieben, bei dem durch Druck-Scanning die kontinuierliche Aufzeichnung des Ausdehnungsvermögens als Punktion des Druckes bis zu 5 kbar ermöglicht wird. Es werden nur kleine Proben benötigt, die Scanning-Geschwindigkeit variiert zwischen 0,3 und 16 kbar/h. Der zweite Teil beschreibt das geeignete experimentelle Verfahren zur Feststoffzustandsbestimmung. Die erhaltenen Piezothermogramme werden dargestellt und die Entropien der Umwandlung bestimmt. Ein Modell liefert eine grobe statistische Näherung, die die Entropien der Umwandlung in der richtigen Grö\enordnung liefert. Probleme in Zusammenhang mit Phasenumwandlungen bei Scherbeanspruchungen werden betrachtet.