Computation of concentrations of characteristic atoms of alloys in BCC structure

In this paper,taking Nb-Mo alloy system as an example,the equations of concentration of characteristic atoms of alloys in BCC structure were obtained on the basis of the idea of systematic science of alloys and the number of coordination atoms.The concentrations of characteristic atoms in B2-NbMo type ordered alloys were calculated as functions of ordering degree(s) and composition xMo.When s=smax,the concentrations of characteristic atoms of stoichiometric B2-NbMo intermetallic compound are equal to that o...     

A macro-meso constitutive law for concrete having imperfect interface and nonlinear matrix

The overall behavior of concrete depends on its meso structures such as aggregate shape, interface status, and mortar matrix property. The two key meso structure characters of concrete, bond status of interface and nonlinear property of matrix, are considered in focus. The variational structure principle is adopted to establish the macro-meso constitutive law of concrete. Specially, a linear reference composite material is selected to make its effective behavior approach the nonlinear overall behavior of concrete. And the overall property of linear reference composite can be estimated by classical estimation method such as self-consistent estimates method and Mori-Tanaka method. This variational structure method involves an optimum problem ultimately. Finally, the macro-meso constitutive law of concrete is established by optimizing the shear modulus of matrix of the linear reference composite. By analyzing the constitutive relation of concrete established, we find that the brittleness of concrete stems from the imperfect interface and the shear dilation property of concrete comes from the micro holes contained in concrete. Supported by the National Natural Science Foundation of China (Grant Nos. 50679022, 90510017, 50539090) and National Basic Research Program of China (Grant No. 2007CB714104)     

古木建筑榫卯连接M-θ相关曲线模型研究

通过对木结构榫卯连接模型试验及其试验结果分析,得出影响连接刚度的主要因素是替木尺寸,榫头尺寸和卯孔对柱的削弱程度.利用最小二乘法对试验数据进行处理,得出榫头尺寸及卯孔对刚度影响的规律.在原有的3参数幂函数模型的基础上,建立适合木结构榫卯连接的4参数幂函数弯矩-转角的相关曲线模型.本文基本结论可以为古木结构的研究和修缮工作提供一些理论帮助.     

Characterization of konjac glucomannan–quaternized poly(4‐vinyl‐N‐butyl) pyridine blend films and their preservation effect

Novel polymer blends were prepared from a mixture of 2 wt % konjac glucomannan and 4 wt % quaternized poly(4‐vinyl‐N‐butyl) pyridine (QPVP) in aqueous solution and dried at room temperature for 72 h. Their structure and properties were studied by infrared, wide‐angle X‐ray diffraction, scanning electron microscopy, thermogravimetric analysis, and differential scanning calorimetry. Thermal stability in the dry state was reduced with increasing content of QPVP. Compared with QPVP film, the tensile strength of the films was improved in the dry state. The maximum value of 12.74% tensile break elongation was reached when the content of QPVP was 30%. Structural analysis indicated that clear phase separation was observed when the content of QPVP was only 50%. Results from the filmcoating preservation experiments with lychee showed that this blend film had water‐holding ability. The fruit weight loss rate and rot rate both decreased in various degrees. The potential uses of these novel polymer films could be as preservative films. © 2004 Wiley Periodicals, Inc. J Appl Polym Sci 93: 1868–1875, 2004     

A study of structural determinants in the interleukin-1 fold

The structures of interleukin-1ß, basic fibroblastgrowth factor and Erythrina trypsin inhibitor have been analysedin order to determine whether the hydrophobic core remains conserved,even when the structures have extremely low sequence similarities.We find that there are significant differences in the way eachprotein achieves a satisfactory arrangement of core residuesand that positions which contribute to the core of one structureare not guaranteed to contribute to the integrity of another.Furthermore, the side-chain packing arrangements of these coreresidues vary significantly between the three structures. Duringthis analysis the side-chain rotamers for three independentlydetermined interleukin-1ß structures were also compared.It was found that although buried residues are generally inagreement the remaining residues frequently occupy differentrotamers in the three structures. This suggests that althoughmeaningful studies are possible for buried side-chains the resultsobtained from equivalent analyses of accessible residues shouldbe treated with caution. These results are discussed with specificreference to the optimization of side-chain packing in proteinsof known structure.     

XRQ-Ⅱ型开车燃烧控制系统的结构及应用

XRQ-Ⅱ型开车燃烧控制系统由泵组、阀组、燃烧器、快速关断阀门及控制柜等组成,燃料经油枪喷嘴雾化喷出在燃烧器中安全稳定地燃烧,控制柜保证供油及点火、火焰检测.在600 kt/a硫磺制酸系统焚硫炉烘炉及催化剂升温中的实际应用表明,XRQ-Ⅱ型开车燃烧控制系统具有便于自控操作、提高焚硫炉烘炉内衬质量、缩短催化剂升温时间等优点.     

A predicted three-dimensional structure of human cytochrome P450: implications for substrate specificity

A three-dimensional structure for human cytochrome P450IA1 waspredicted based on the crystal coordinates of cytochrome P450camfrom Pseudomonas putida. As there was only 15% residue identitybetween the two enzymes, additional information was used toestablish an accurate sequence alignment that is a prerequisitefor model building. Twelve representative eukaryotic sequenceswere aligned and a net prediction of secondary structure wasmatched against the known -helices and ß-sheets ofP450cam. The cam secondary structure provided a fixed main-chainframework onto which loops of appropriate length from the humanP450IA1 structure were added. The model-built structure of thehuman cytochrome conformed to the requirements for the segregationof polar and nonpolar residues between the core and the surface.The first 44 residues of human cytochrome P450 could not bebuilt into the model and sequence analysis suggested that residues1–26 formed a single membrane-spanning segment. Examinationof the sequences of cytochrome P450s from distinct gene familiessuggested specific residues that could account for the differencesin substrate specificity. A major substrate for P450IA1, 3-methyl-cholanthrene,was fitted into the proposed active site and this planar aromaticmolecule could be accommodated into the available cavity. Residuesthat are likely to interact with the haem were identified. Thesequence similarity between 59 eukaryotic enzymes was representedas a dendrogram that in general clustered according to genefamily. Until a crystallographic structure is available, thismodel-building study identifies potential residues in cytochromeP450s important in the function of these enzymes and these residuesare candidates for site-directed mutagenesis.     

纳米管合成研究进展

当今纳米科学技术飞速发展，其中纳米管已构成了纳米材料的一个非常重要的类别。本文介绍近几年来由化学键结合的纳米管以及由分子间力形成的一些纳米或具有中观尺度的管状结构材料的合成研究进展。     

水滴形歧管的结构分析

本文就衣架式模头水滴形歧管的结构设计，根据聚合物加工的流变理论，结合生产实际对水滴形截面的歧管流道分配系统进行分析，使得所设计的挤塑模在尽可能高的流速下，生产出符合尺寸及形状公差的均质片材。