Molecular designing of organic conductor based upon the model of polypyrrole

The electronic structure and properties of polypyrrole (p-Pyr) based substituting by the group of pyrazine (Pyz) and their model compounds were studied by the density functional theory (DFT) at the B3LYP level with 6-31G* basis set. The bond length, the topological analyses and nucleus-independent chemical shifts (NICS) were analyzed and correlated with the electronic properties. The bond length of all compounds is reduced with the increase in the degree of polymerization, and the band gap of these compounds is decreased. The change of NICS shows that the conjugation degree in central section of the polymeric axis is stronger than that in outer section, and the structure of central part was close to quinoid structure in polymers. The theoretical results suggest that the band gap of p-Pyz (polymer of Pyz) (0.37 eV) is much smaller than the band gap of polypyrrole (1.84 eV). The narrow band gap, large HOMO and LUMO bandwidths and small effective masses make p-Pyz have a remarkable elevation of the conductivity, so it may be considered as a very good candidate for conducting material.     

Distributed modeling of the beginning and ending dates and durations of limited temperatures over the rugged terrain of Chongqing

A physically based empirical model was established for the beginning and ending dates (BED) of limited temperatures.Data used were daily mean temperatures from 34 conventional stations in the Chongqing region,measured from 1961 to 2000.Using this model in combination with the distributed modeling results of monthly mean temperatures,we developed a method for creating a distributed simulation of the BED and durations of limited temperatures in the rugged terrain of Chongqing.Spatial distribution maps were generated at a resolution of 100×100 m for the BED and durations of the limited temperatures of 0,10,15 and 20.Simulations suggest that the distributed model is able to successfully reveal the macroscopic trends and local distributions.For the modeled BED,the mean absolute bias error is 0.6-2.4 d.Cross-validation and case-year tests show mean absolute bias errors of 1.3-2.8 d and 0.7-2.5 d,respectively.Comparison shows that the simulation results are consistent with the field investigations.This implies that the simulations are as good as observations,thus providing a viable technique for simulating mountainous heat resources using conventional meteorological data.     

Bioinspired polymer functionalized with a diiron carbonyl model complex and its assembly onto the surface of a gold electrode via “click” chemistry

A complex pendant with two ethynyl groups, [Fe₂(μ‐SCH₂CCH)₂(CO)₆] ( 2 ), as a model of the diiron subunit of [FeFe]‐hydrogenase was polymerized and the {Fe₂(CO)₆} core was successfully incorporated into the polymer matrix. The polymer was characterized by a variety of spectroscopic techniques, TGA, FTIR, SEM, TEM, and NMR. The resultant polymer was immobilized via “click” chemistry using its terminal C?CH bond onto the surface of a gold electrode, which was premodified with azidothiol by self‐assembled monolayer (SAM). The assembled electrode showed electrochemical responses. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 48: 2410–2417, 2010     

飞轮储能器的新型高温超导悬浮轴承研究

储能器是一种储存能量的装置,随着高温超导悬浮轴承运用到飞轮储能器中,储能效率得到了大大的提高。它的主要结构是由高温超导体和永磁体组成。文中提出一种全新高温超导悬浮轴承,并研究其的力学性能,为新型超导悬浮轴承的研究与开发做好了基础准备。     

铁路勘测设计一体化与地理信息系统

通过考察我国铁路勘测设计技术现状和存在的问题，分析地理信息系统（ＧＩＳ）与铁路勘测设计的关系，提出了基于ＷｅｂＧＩＳ的铁路勘测设计一体化解决方案，讨论了基于ＷｅｂＧＩＳ的铁路勘测设计系统的体系结构、应用前景和对铁路勘测设计的影响．     

甲醇中用氨和环氧丙烷合成异丙醇胺

研究了在甲醇介质中用氨和环氧丙烷制备异丙醇胺的新工艺.考察了原料配比、反应温度、体系中的水含量对反应的影响.     

STRENGTH ANALYSIS OF CLAMPING IN MICRO/NANO SCALE EXPERIMENTS

Two kinds of clamping in micro/nano scale experiments are investigated in this paper, one based on electron-beam-induced deposition, and the other on the van der Waals interaction. The clamping strength and mechanism are analyzed both theoretically and experimentally. The influence of relative humidity on the micro/nano clamping and the method of electrostatic clamping are discussed. The clamping strength and performance of different clamping methods are compared considering the size and material of the clamped objects, and the application environments.     

半自动定容定位氢化装置及应用

研制半自动定容试液，半自动定位恒速注入KBK4，整个氢化过程不串空气，可用压力全方位喷射冲洗反应室。该装置定容定位准确，操作简便快速，适用于大批量样品分析。通过对8个GSD标准参考物质的分析，分析结果与参考值基本一致，RSD＜6％。     

HPLC Determination of Ascorbic Acid Using Luminol-Cu(Ⅱ) Chemiluminescence-Application to the Analysis of Juice Beverage

The chemiluminescence (CL) of luminol-Cu(Ⅱ) was applied to HPLC determination of ascorbic acid, which was separated by a C18 reverse-phase column with a mobile phase of 0.25 mol/L HAc. The eluted ascorbic acid was mixed with 0.3 mmol/L luminol and 0.05 mol/L CuSO4. The light emission from the reaction of Cu(Ⅱ) oxidized ascorbic acid and luminol was detected by a modified luminometer. The detection limit was 3.6×10-6 mol/L for ascorbic acid at a S/N ratio of 3, and the linear calibration range was 2×10-4- 2×10-3 mol/L. The relative standard deviation for 5 replicate injections of 1×10-3 mol/L ascorbic acid was calculated as 4.3 %. The method was successfully applied to determination of ascorbic acid in juice beverage.