天然糖甙类化合物^13C—NMR位移范围规律的计算机解析方法

本文从糖甙类化合物的数据特点出发,用较严格的数学推导总结出原则上适用于任何类型的~(13)C-NMR 图谱化学位移范围规律计算机自动解析的方法,并从多方面说明了该方法的研究及实现对实际的~(13)C-NMR 图谱解析工作的意义和重要作用。     

Machine translation of non-literary texts: Some Canadian experiences

A survey was carried out of past and current Canadian experiences with machine-aided translation (MAT) systems of non-literary texts in one government institution and three industrial settings. Each organization requires a great deal of translation and had conducted several experiments in the use of MAT. The survey supports positive conclusions about the prospects for expanded use of computers in translation.The authors express their thanks to all those who helped in the preparation of this paper. We are particularly grateful to the staff of the translation departments of the organizations mentioned in the paper for their kind cooperation and their willingness to answer our questions: Chantal Delorme ofIBM Canada, Lorraine Desmarais and Mr. Plamondon of Bell Canada, Pierre Tellier of the Department of the Secretary of State, Maria Russo and Raymond Lapointe of the Xerox Corporation. Furthermore we thank Prof. Graeme Hirst for helpful discussion.     

基于TMS320C6x实现多载波QPSK信号全数字化整体解调

提出并证明了一种群路FDMA/QPSK(频分多址/正交相移键控)信号全数字化整体解调的新方法,该方法根据信道构成特点和信号调制方式,将直接分路法和常规多相FFT(快速傅里叶变换)分离法相结合,构成了一种简化的等效多相FFT分路方法,再将输出的数字信号送到数字式解调器,实现了多载波信号的全数字化整体解调,其特点是软件和硬件结构简单、系统计算量小,且易于DSP实时实现,现已用该算法进行了32路FDMA/QPSK信号整体解调的计算机仿真实验,结果表明该方法是可行的.     

Cover Picture: Toward Large‐Scale Alignment of Electrohydrodynamic Patterning of Thin Polymer Films (Adv. Funct. Mater. 15/2006)

By integrating lithography and self‐assembly via electrohydrodynamic instabilities, Russel and co‐workers are able to guide initially flat polymer films to evolve into periodic arrays of pillars over regions much greater in extent than their natural domain sizes, as detailed on p. 1992. Novel structures that involve a combination of linear ridges and pillars are also produced, mainly as as result of the dynamic merging among preformed pillars. To pattern thin polymer films via electrohydrodynamic instabilities, we design and utilize two different kinds of mask patterns to guide pillars into alignment over regions much greater in extent than their natural domain sizes. First, narrow protruding ridges that intersect to form regular patterns on the mask trigger the growth of pillars beneath. Later, square and triangular packings of pillars develop in the regions enclosed by those ridges, preserving the registry from one domain to the next over a much larger area than within individual domains in unpatterned portions of the mask. Second, small square protrusions that are prealigned into a large regular array on the mask guide the formation of square packings of pillars in domains that conform to the mask, forming a large array of pillars. Novel structures involving a combination of linear ridges and pillars are also produced mainly due to the dynamic merging among preformed pillars. Finally, we find vertex symmetry of the mask pattern is necessary for generating and preserving ordered patterns on the polymer film.     

Effects of α‐form or β‐form nuclei on polymorphic crystalline morphology of poly(butylene adipate)

The effects of α‐form and β‐form nuclei on polymorphic morphology of poly(butylene adipate) (PBA) upon recrystallization from the molten state up to various T_max values were examined by differential scanning calorimetry (DSC), wide‐angle X‐ray diffraction (WAXD) and polarized light microscopy (PLM). In this study, PBA with complex melting and polymorphism behaviour was used as a model for examining different types and extents of residual nuclei. As the PBA initially containing the sole α‐crystal was brought to a molten state of various T_max, the extents of trace α‐form crystal nuclei varied and were dependent on T_max. Furthermore, it did not matter whether, initially, the PBA contained α‐ or β‐form crystals (or both) because only a single type of α‐nuclei could be left upon treatment to the molten liquid state at T_max. Therefore, only the α‐crystal in PBA had ‘memory capacity’ in the molten liquid state while the β‐crystal did not. This was so because the latter had been completely transformed into the solid state prior to being heated into a liquid. PBA crystallized before α‐nuclei could be packed into α‐crystal, regardless of the crystallization temperature (T_c). For recrystallization from molten PBA without any nuclei, the crystalline polymorphism was correspondingly influenced by T_c. Copyright © 2005 Society of Chemical Industry     

Adsorption and decomposition of H2S on Pd(1 1 1) surface: a first-principles study

Gradient-corrected density functional theory was used to investigate the adsorption of H₂S on Pd(1 1 1) surface. Molecular adsorption was found to be stable with H₂S binding preferentially at top sites. In addition, the adsorption of other S moieties (SH and S) was investigated. SH and S were found to be preferentially bind at the bridge and fcc sites, respectively. The reaction pathways and energy profiles for H₂S decomposition giving rise to adsorbed S and H were determined. Both H₂S_(ad) → SH_(ad) + H_(ad) and SH_(ad) → S_(ad) + H_(ad) reactions were found to have low barriers and high exothermicities. This reveals that the decomposition of H₂S on Pd(1 1 1) surface is a facile process.     

On the design of multiple key hashing files for concurrent orthogonal range retrieval between two disks

This paper concerns the following problem: given a set of multi-attribute records, a fixed number of buckets and a two-disk system, arrange the records into the buckets and then store the buckets between the disks in such a way that, over all possible orthogonal range queries (ORQs), the disk access concurrency is maximized. We shall adopt the multiple key hashing (MKH) method for arranging records into buckets and use the disk modulo (DM) allocation method for storing buckets onto disks. Since the DM allocation method has been shown to be superior to any other allocation methods for allocating an MKH file onto a two-disk system for answering ORQs, the real issue is knowing how to determine an optimal way for organizing the records into buckets based upon the MKH concept.

A performance formula that can be used to evaluate the average response time, over all possible ORQs, of an MKH file in a two-disk system using the DM allocation method is first presented. Based upon this formula, it is shown that our design problem is related to a notoriously difficult problem, namely the Prime Number Problem. Then a performance lower bound and an efficient algorithm for designing optimal MKH files in certain cases are presented. It is pointed out that in some cases the optimal MKH file for ORQs in a two-disk system using the DM allocation method is identical to the optimal MKH file for ORQs in a single-disk system and the optimal average response time in a two-disk system is slightly greater than one half of that in a single-disk system.     

液化石油气储罐火灾模拟试验——池火灾环境下

液化石油气储罐在火灾作用下，其内部的温度和压力会迅速上升，从而可能引起储罐爆炸，进而酿成危害性更大的二次灾害。为此，对液化石油气储罐在池火灾环境下的热响应情况进行了大量的模拟试验研究。研究发现，储罐在池火灾作用下存在着明显的热分层，热分层加速了储罐内部压力升高的速度；储罐内部温度分布和压力响应受到储罐类型、充装水平等因素的影响，压力随时间的变化关系可以用三次多项式加以拟合。     

同步辐射光刻技术

同步辐射光刻有希望代替传统光刻技术,用于0.25μm以下图形的超精细加工。本文叙述了它的原理、相关技术的开发现状和工艺应用。     

Direct atomic scale analysis of the distribution of Cu valence states in Cu/γ-Al2O3 catalysts

In this paper, the microstructure of a 1 wt.% Cu/γ-Al₂O₃ catalyst that was reduced in a 4% hydrogen/argon atmosphere at temperatures of 523, 773 and 1073 K, is studied by Z-contrast imaging and electron energy-loss spectroscopy (EELS) in a scanning transmission electron microscope (STEM). Results show that the copper species are well dispersed when the catalyst is reduced below 523 K. At 773 K, separated Cu(I) and Cu(0) species are found existing as ring-like and bulk-like particles. This appears to indicate that the copper has not been reduced to its metallic form due to the interaction between the copper oxide and the support. Large spherical particles having core-shell structures with Cu(I) in the shells and Cu(0) in the cores are generated when the catalyst is reduced at 1073 K. The formation of partially oxidized copper species upon reduction at 1073 K is attributed to the metallic copper interaction with the alumina support. This study also demonstrates that high-spatial resolution Z-contrast imaging and EELS performed simultaneously can provide unique information on the morphology and chemistry of metal species in supported metal catalysts.