定量结构-活性/性质相关性研究中变量选择方法的研究——遗传算法和几种传统算法的比较

鉴于变量选择在 QSAR/QSPR研究中的重要性 ,比较了遗传算法和几种传统的方法 ,如前进法、后退法及逐步回归法 .结果表明 ,对于研究中所用数据 ,遗传算法较几种传统的方法为好 ,其原因可能由于传统的方法陷入了局部最优 .遗传算法在变量较多的情况下方可显示出效率高和得到较好结果的优越性 .对于变量的选择 ,遗传算法是一值得推荐的有效的方法

Superlattice structure of gold nanoparticles film deposited by Langmuir-Blodgett technique

Dodecanethiol-capped gold nanoparticles could spread on water subphase and be transferred by LB technique. The superlattice structure of gold nanoparticles multilayer was discussed.

Oxygen permeating properties of the mixed conducting membranes without cobalt

A new series of mixed conducting oxides, Sr10-n/2BinFe20Om (n = 4, 6, 8, 10), were synthesized by a solid state reaction method, and they have high oxygen permeability. The oxygen permeation rate at 1150 K is 0.41 ml(STD)/ cm(2).min for n = 6 and 0.90 ml(STD)/cm(2).min for n = 10, which is two times higher than that for Sr1-xBixFeO3 (x = 0.5). For the Sr1-xBixFeO3 (x = 0.1, 0.3, 0.5) series, the oxygen flux increases with increasing Bi content. (C) 1998 Elsevier Science Ltd.

石墨炉原子吸收法测定钢铁及合金中微量钒

探讨了石墨炉原子吸收法测定钢铁及合金中微量钒的各种实验条件及影响因素。 实验表明，采用热解涂层管与光控升温相结合并在温度稳定的情况下原子化，可改善信号峰 形，提高灵敏度，消除记忆效应。方法用于钢铁及合金中钒的分析，结果令人满意。

INDIGO-CARMINE-MODIFIED POLYPYRROLE FILM ELECTRODE

Functionalized polypyrrole films were prepared electrochemically in the presence of indigo-carmine from aqueous solution. The film shows a couple of reversible redox peaks superimposed on a large background of polypyrrole. The redox reaction is pH dependent. The film has good stability in air and can be cycled between -0.1 and 0.4 V (Ag/AgCl) for several hours without any significant changes in the voltammograms. UV-visible spectra indicate the incorporation of indigo-carmine into the polymer matrix.

方差-范围函数法求低密度聚乙烯/乙烯-丙烯-辛烯-1共聚物的共混体系次晶结构

将方差-范围函数法应用于共混体系中,求得了LDPE/EPO共混体系的(110)和(200)晶面的微晶大小和点阵畸变参数.微晶大小和点阵畸变参数值随EPO组份含量的增加基本呈下降趋势.

会计电算化对传统会计职能的影响

会计作为一个提供财务信息为核心的信息系统,在企业经营管理中发挥着重要的作用。随着经济和科技的不断发展,以及新的会计思想和理论逐渐确立,在推动会计自身发展和变革的同时,也进一步完善和发展了电算化会计。本文就电算化会计与传统会计的差别以及会计对电算化对传统会计的影响进行了简要的分析和总结。

稀土与L-苯丙氨酸配合物的pH电位法及量热滴定法研究

本文在25℃和0.15mol·dm~(-3)(NaCl)离子强度下,用pH电位法和量热滴定法测定了十五个稀土元素(Y和除Pm外的镧系元素)与L-苯丙氨酸1∶1配合物的稳定常数及热力学函数。L-苯丙氨酸通过—CO_2~-和—NH_2与稀土离子配位,生成较稳定的1∶1配合物。配合物稳定性呈“四分组效应”。配合物稳定性顺序中Y的位置向轻稀土方向移动。体系的熵变是配位反应驱动力。离子的去水化在配位反应中超重要作用。

重稀土离子电极的研制及其应用

稀土分离流程中,需要能随时测定稀土含量而又简便的分析方法,离子选择电极可能适应这种需要。我们在稀土电极研究的基础上,研制了重稀土离子选择电极,并以该电极膜制成重稀土流通池,将其应用在流动注射分析中,可能是重稀土分析中较理想的方法之一。1 主要仪器和试剂 主要仪器有PW 9409酸度计(Philips),FlA-T_2通用流动注射仪(东北电力学院仪器仪

稀土配合物导数吸收光谱研究Ⅳ.Ln~(3+)-Ferron-Triton X-100配合物导数光谱的研究及其应用

具有f-f超灵敏跃迁的稀土配合物导数吸收光谱可大幅度提高稀土元素的测定灵敏度,钕-高铁试剂(Ferron,7碘-8羟基喹啉-5-磺酸)即为此类配合物,但其测定灵敏度提高不多。研究发现,在Ln~(3+)(Pr~(3+)、Nd~(3+)、Er~(3+))-Ferron体系中加入表面活性剂可形成新的配合物,使其f-f超灵敏跃迁吸收谱线增强,峰形显著变化,其中钕和铒的吸收峰

聚乙烯片晶辐照破坏机理的电子显微镜研究

用透射电子显微镜观察了高密度辐照聚乙烯的形态结构,并通过统计方法定量地分析了其结构与辐照剂量的关系。发现室温辐照聚乙烯的片晶形态不随辐照剂量而变化。若将室温辐照聚乙烯重新熔融,然后再于125℃下等温结晶4h后,其片晶厚度则随辐照剂量的增加而变薄,长周期亦随之变短。小角X射线散射的测试结果与上述结果符合得很好。室温辐照聚乙烯及其125℃重结晶试样的电子显微镜数据从又一直观角度验证了辐照聚乙烯“片晶内部破坏机理”的正确性。

酸浓度对苯胺聚合及所得产物的结构与性能的影响

本文研究了聚合溶液中酸浓度对苯胺的化学聚合行为及所得产物导电性能的影响。并用FTIR、元素分析及XPS等手段表征了不同条件下获得的聚合物分子链结构。

Identification and characterization of a virulence-associated protease from a pathogenic Pseudomonas fluorescens strain

Pseudomonas fluorescens is an aquaculture pathogen that can infect a number of fish species. The virulence mechanisms of aquatic P. fluorescens remain largely unknown. Many P. fluorescens strains are able to secrete an extracellular protease called AprX, yet no AprX-like proteins have been identified in pathogenic P. fluorescens associated with aquaculture. In this study, a gene encoding an AprX homologue was cloned from TSS, a pathogenic A fluorescens strain isolated from diseased fish. In TSS, AprX is secreted into the extracellular milieu, and the production of AprX is controlled by growth phase and calcium. Mutation of aprX has multiple effects, which include impaired abilities in interaction with cultured host cells, adherence to host mucus, modulation of host immune response, and dissemination and survival in host tissues and blood. Purified recombinant AprX exhibits apparent proteolytic activity, which is optimal at pH 8.0 and 50 degrees C. The protease activity of recombinant AprX is enhanced by Ca2+ and Zn2+ and reduced by Co2+. Cytotoxicity analyses showed that purified recombinant AprX has profound toxic effect on cultured fish cells. These results demonstrate that AprX is an extracellular metalloprotease that is involved in bacterial virulence. (C) 2009 Elsevier B.V. All rights reserved.

Bioorganic/inorganic hybrid composition of sponge spicules: Matrix of the giant spicules and of the comitalia of the deep sea hexactinellid Monorhaphis

The giant basal spicules of the siliceous sponges Monorhaphis chuni and Monorhaphis intermedia (Hexactinellida) represent the largest biosilica structures on earth (up to 3 m long). Here we describe the construction (lamellar organization) of these spicules and of the comitalia and highlight their organic matrix in order to understand their mechanical properties. The spicules display three distinct regions built of biosilica: (i) the outer lamellar zone (radius: >300 mu m), (ii) the bulky axial cylinder (radius: <75 mu m), and (iii) the central axial canal (diameter: <2 mu m) with its organic axial filament. The spicules are loosely covered with a collagen net which is regularly perforated by 7-10 mu m large holes; the net can be silicified. The silica layers forming the lamellar zone are approximate to 5 mu m thick; the central axial cylinder appears to be composed of almost solid silica which becomes porous after etching with hydrofluoric acid (HF). Dissolution of a complete spicule discloses its complex structure with distinct lamellae in the outer zone (lamellar coating) and a more resistant central part (axial barrel). Rapidly after the release of the organic coating from the lamellar zone the protein layers disintegrate to form irregular clumps/aggregates. In contrast, the proteinaceous axial barrel, hidden in the siliceous axial cylinder, is set up by rope-like filaments. Biochemical analysis revealed that the (dominant) molecule of the lamellar coating is a 27-kDa protein which displays catalytic, proteolytic activity. High resolution electron microscopic analysis showed that this protein is arranged within the lamellae and stabilizes these surfaces by palisade-like pillars. The mechanical behavior of the spicules was analyzed by a 3-point bending assay, coupled with scanning electron microscopy. The load-extension curve of the spicule shows a biphasic breakage/cracking pattern. The outer lamellar zone cracks in several distinct steps showing high resistance in concert with comparably low elasticity, while the axial cylinder breaks with high elasticity and lower stiffness. The complex bioorganic/inorganic hybrid composition and structure of the Monorhaphis spicules might provide the blueprint for the synthesis of bio-inspired material, with unusual mechanical properties (strength, stiffness) without losing the exceptional properties of optical transmission. (C) 2007 Elsevier Inc. All rights reserved.

Comparison of Gene Expression Profiles of Fenneropenaeus chinensis Challenged with WSSV and Vibrio

Microarray technique was used to analyze the gene expression profiles of shrimp when they were challenged by WSSV and heat-inactivated Vibrio anguillarum, respectively. At 6 h post challenge (HPC), a total of 806 clones showed differential expression profile in WSSV-challenged samples, but not in Vibrio-challenged samples. The genes coding energy metabolism enzyme and structure protein were the most downregulated elements in 6 h post WSSV-challenged (HPC-WSSV) tissues. However, a total of 155 clones showed differential expression in the Vibrio-challenged samples, but not in WSSV-challenged samples. Serine-type endopeptidase and lysosome-related genes were the most upregulated elements in tissues 6 h post Vibrio challenge (HPC-Vibrio). Totally, 188 clones showed differential expression in both 6 and 12 HPC-WSSV and HPC-Vibrio samples. Most of the differentially expressed genes (185/188) were downregulated in the samples of 12 HPC-WSSV, whereas upregulated in the samples at 6 and 12 HPC-Vibrio and 6 HPC-WSSV. The expression profiles of three differentially expressed genes identified in microarray hybridization were analyzed in hemocytes, lymphoid organ, and hepatopancreas of shrimp challenged by WSSV or Vibrio through real-time PCR. The results further confirmed the microarray hybridization results. The data will provide great help for us in understanding the immune mechanism of shrimp responding to WSSV or Vibrio.