Reduced parabolic model for radical addition reactions

The transition state of addition of free radicals and atoms to multiple bonds is considered as a result of intersecting of two parabolic potential curves. One of them characterizes the stretching vibration of the attacked multiple bond, and another curve characterizes the stretching vibration of the bond formed in the transition state. The force constant of the latter is calculated by an empirical equation that correlates the force constant with the bond dissociation energy. In the framework of this model, the thermally neutral activation energy (E _e0) and the elongation of the attacked and formed bonds (r _e) in the transition state were calculated from the experimental data (activation energy (E _e) and enthalpy of reaction (H _e)) for the addition of an H atom and methyl, alkoxyl, aminyl, triethylsilyl, and peroxyl radicals to the C=C bond and the addition of H and CH₃ to the C=O and CC bonds. Analysis of the data obtained showed that E _e0 depends linearly on the |H _e| + E_e sum, i.e., E_e0/kJ mol^–1 = 14.2 + 0.61 · (E_e – H _e), and the bond elongation in the transition state for addition of the most part of radicals to ethylene and acetylene vary within (0.65–0.87)·10_–10 m. The factors affecting the activation energy of the radical addition reactions are discussed.Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1542–August, 2004.     

Optimization of on-chip elongation for fabricating double-stranded DNA microarrays

The sequence-specific recognitions between DNA and proteins are playing important roles in many biological functions. The double-stranded DNA microarrays (dsDNA microarrays) can be used to study the sequence-specific recognitions between DNAs and proteins in highly parallel way. In this paper, two different elongation processes in forming dsDNA from the immobilized oligonucleotides have been compared in order to optimize the fabrication of dsDNA microarrays: (1) elongation from the hairpins formed by the self-hybridized oligonucleatides spotted on a glass; (2) elongation from the complementary primers hybridized on the spotted oligonucleatides. The results suggested that the dsDNA probes density produced by the hybridized-primer extension was about four times lower than those by the self-hybridized hairpins. Meanwhile, in order to reduce the cost of dsDNA microarrays, we have replaced the Klenow DNA polymerase with Taq DNA polymerase, and optimized the reaction conditions of on-chip elongation. Our experiements showed that the elongation temperature of 50 °C and the Mg²⁺ concentration of 2.5 mM are the optimized conditions in elongation with Taq DNA polymerase. A dsDNA microarray has been successfully constructed with the above method to detect NF-kB protein.     

应变速率对8090Al-Li合金拉伸性能的影响

用动态拉伸的方法研究了应变速率对 80 90 Al— L i合金拉伸性能的影响 ,应变速率的范围为 10 - 3～ 10 3s- 1。结果表明 ,合金的强度和塑性随应变率的增加而增加。试样的 SEM和 TEM分析发现 :准静态下的断裂为沿晶断裂 ;随着应变率的增加 ,断裂从穿晶准解理断裂过渡到由显微空穴聚集而成的韧窝断裂。高应变率下80 90 Al- L i合金强度和塑性的提高与其变形机制和晶界无沉淀区 (PFZ)的变化有关     

Study of the Characteristic of Nuclear Interactions Span Knee Region

大气契伦柯夫脉冲波形和光强探测器用于研究跨越宇宙线能谱膝区的核作用特征．结果表明,当跨越膝区时延伸率及相应的核作用参数发生变化．     

Mg—RE微合金化对Ni_3Al（B）－Gr熔盐腐蚀及力学性能的影响

研究了Ｍｇ－ＦＥ复合微合金化的双相Ｎｉ３ＡＬ（Ｂ）－Ｃｒ基金属间化合物熔盐腐蚀和力学性能，发现Ｍｇ－ＲＥ复合微合金化能降低Ｎｉ３Ａｌ（Ｂ）－Ｃｒ在ＬｉＣｌ－ＫＣｌ熔盐中的阳极电流密度；同时能在不降低Ｎｉ３Ａｌ（Ｂ）－Ｃｒ屈服强度的条件下，提高延伸率近２０％．     

关于H型钢后滑的研究

利用显式动力学有限元方法模拟了不同轧制参数条件下H型钢的变形过程,得出了一些主要参数对H型钢后滑的影响规律,并对这些规律产生的原因进行了分析·研究结果表明:压下率对H型钢后滑的影响非常明显,随压下率的增加,后滑急剧地增加·此外,轧件的腿宽、腿腰延伸比、内宽以及轧件的初始厚度对H型钢的后滑也有较明显的影响·     

PP/EPDM-g-GMA共混物的形态结构和力学性能

在转矩流变仪中通过熔融接枝反应制备了EPDM-g-GMA，将其与聚丙烯(PP)在双螺杆挤出机中熔融共混，用化学滴定法测定EPDM—g—GMA的接枝率，用红外光谱对接枝物进行表征，用SEM观察共混物的形态，通过对PP／EPDM-g-GMA共混物的形态结构和力学性能的研究发现，随着EPDM—g—GMA的含量或温度的增加，PP／EPDM-g-GMA共混物的缺口冲击强度相应提高，而拉伸强度降低，断裂伸长率相应增加。     

侯西铁路线K81＋061立交桥梁体后张法预应力筋伸长值偏差探讨与计算机辅助计算

结合工程实例,从施工材料和施工技术、混凝土弹性模量增长滞后、设计伸长值等方面,对后张法预应力筋伸长值超限问题进行了系统的论述,最终采用理论计算的手段解决了该问题,并针对理论计算的难度及特点提出了计算机高级语言辅助计算的解决方法与思路。     

Elongation method with intermediate mechanical and electrostatic embedding for geometry optimizations of polymers

The elongation method with intermediate mechanical and electrostatic embedding (ELG-IMEE) is proposed. The electrostatic embedding uses atomic charges generated by a charge sensitivity analysis (CSA) method and parameterized for three different population analyses, namely, the Merz–Singh–Kollman scheme, the charge model 5, and the atomic polar tensor. The obtained CSA models were tested on two model systems. Test calculations show that the electrostatic embedding provides several times of decrease in the difference of energies of testing and reference calculations in comparison with the conventional elongation approach (ELG). The mechanical embedding is implemented in a combination of the conventional elongation method and the ONIOM approach. Moreover, it was demonstrated that the geometry optimization with the ELG-IMEE reduces the errors in the optimized structures by about one order in root-mean-square deviation, when compared to ELG.     

冠菌素对玉米节间伸长和产量性状的影响

 试验以常用玉米杂交种郑单958为材料,用0.001、0.01、0.1、1μmol/L冠菌素(COR)作处理,清水为对照,通过调查农艺性状、分析生理指标以及产量性状,研究COR对玉米节间伸长的影响.结果表明,随着COR处理浓度的增加,郑单958的株高、穗位高和节间长度均降低,0.01、0.1和1μmol/L COR处理的株高、穗位高以及第2-8节节间长度均低于对照,且差异达到显著或极显著水平.随着COR处理浓度的增加,伸长节间吲哚乙酸氧化酶(IAAO)、苯丙氨酸解氨酶(PAL)和过氧化物酶(POD)的活性均升高,除0.001μmol/L COR处理外,0.01、0.1和1μmol/L COR处理的IAAO、PAL和POD酶活性均高于对照,且差异达到极显著水平.0.001和0.01μmol/L COR处理的穗长、行粒数、穗重、穗粒重和产量,与对照相比,均呈显著或极显著增加,且随着冠菌素浓度的增加,各性状均呈降低趋势,说明低浓度的COR能增加玉米的产量.综合来看,既能延缓节间伸长生长,又能增加产量的最适COR浓度为0.01μmol/L,因此作为一种玉米延缓剂,COR有较好的应用前景.