MOLECULAR CLOSE-PACKING METHOD AND ITS APPLICATION TO CRYSTAL STRUCTURE DETERMINATION OF DESHEXAPEPTIDE (B25--B30) INSULIN

Based on the molecule-packing theory, we defined a molecule-packing function express-ing the compatibility of packing among the symmetry-related molecules in a unit cell. Acomputer program imitating the close-packing of molecules in the objective crystal latticeand giving the function value of each rotation and translation of the molecule in the unitcell was performed, and it therefore made the close-packing of molecules expressquantitatively. This method not only could judge a correct solution from several peaks ofthe rotation or translation function but it may also independently, quantitatively and quicklysolve some specific problems of rotation and translation. Using known structure of despenta-peptide (B26--B30) insulin as an example, the effectiveness of this method and its programwas inspected, and this method was successfully applied to solving the translation problem ofthe unknown structure of deshexapeptide (B25--B30) insulin. The molecular close-packingmethod proved by the results of R--search     

Effective optical path length investigation for cubic diffuse cavity as gas absorption cell

A simple cubic-shaped cavity with a high-diffuse-reflectivity inner coating as a novel gas detection cell was developed. The effective optical path length (EOPL) was evaluated by comparing the oxygen absorption signal in the cavity and in air based on tunable diode laser absorption spectroscopy. The law for a spherical cavity was applied and modified to a cubic cavity as a function of reflectivity ρ, port fraction f, and the side length. Single-pass average path length of the cubic cavity was 0.723(7) times the side length. EOPL can be modified conveniently by adjusting the parameters of the cavity.     

Adsorptive removal of nitrogen-containing compounds from fuel by metal-organic frameworks

The adsorptive denitrogenation from fuels over three metal-organic frameworks(MIL-96(Al),MIL-53(Al)and MIL-101(Cr))was studied by batch adsorption experiments.Four nitrogen-containing compounds(NCCs)pyridine,pyrrole,quinoline and indole were used as model NCCs in fuels to study the adsorption mechanism.The physicochemical properties of the adsorbents were characterized by XRD,N2physical adsorption,FT-IR spectrum and Hammett indicator method.The metal-organic frameworks(MOFs),especially the MIL-101(Cr)containing Lewis acid sites as well as high specific surface area,can adsorb large quantities of NCCs from fuels.In addition,the adsorptive capacity over MIL-101(Cr)will be different for NCCs with different basicity.The stronger basicity of the NCC is,the more it can be absorbed over MIL-101(Cr).Furthermore,pore size and shape also affect the adsorption capacity for a given adsorbate,which can be proved by the adsorption over MIL-53(Al)and MIL-96(Al).The pseudo-second-order kinetic model and Langmuir equation can be used to describe kinetics and thermodynamics of the adsorption process,respectively.Finally,the regeneration of the used adsorbent has been conducted successfully by just washing it with ethanol.     

熔盐堆空气换热器结构完整性分析

熔盐堆作为第四代核反应堆备选堆型之一,运行温度高,对材料高温性能要求严格;熔盐堆空气换热器作为实验堆关键设备,工作温度高,启停机次数多,长期运行后,材料许用应力松弛下降,应力、应变可能超出允许限值,或发生蠕变疲劳失效。使用Workbench软件,对熔盐堆空气换热器进行力学分析,并对A级使用载荷要求进行结构完整性评定,结果表明:熔盐堆空气换热器满足力学性能要求,其中疲劳损伤占比重较大,高温蠕变损伤也较为显著。     

Diastereoselective synthesis of oxazolo[3,4-b]tetrahydroisoquinolin-3-ones via Lewis acid TMSOTf-mediated Pictet–Spengler reaction

An alternative and efficient method to stereoselectively synthesize oxazolo[3,4-b]tetrahydroisoquinolin-3-ones via a Pictet–Spengler reaction promoted by Lewis acid TMSOTf from readily available (S)-4-benzyl-2-oxazolidinone with various aromatic, aliphatic, and cyclic aldehydes under room temperature is described.     

Study of nano‐Cu/SiO2 catalysts for highly selective hydrogenation of acetophenone

Hydrogenation of acetophenone over nano‐Cu/SiO₂ catalysts was investigated. The catalysts, prepared by a liquid precipitation method using various precipitating agents, were characterized using low‐temperature nitrogen adsorption, X‐ray diffraction, temperature‐programmed desorption of ammonia, hydrogen temperature‐programmed reduction, transmission electron microscopy and X‐ray photoelectron spectroscopy. It was found that the catalysts prepared by a homogeneous precipitation method had better activity and stability than those prepared by a co‐precipitation method. The catalyst prepared using urea as precipitating agent had well‐dispersed copper species, high surface area and abundant pore structure. The catalytic performance and mechanism of the Cu/SiO₂ catalysts were further studied. It was found that the activity and stability of the catalysts could be improved by adjusting the proportion of Cu⁺/(Cu⁺ + Cu⁰). The sample prepared using urea as precipitating agent presented higher activity and selectivity. Also, the catalyst prepared using urea maintained a high catalytic performance while being continuously used for 150 h under the optimal reaction conditions.     

超越SNOM探针通光孔径尺寸的金属纳米间隙超分辨测量

采用电磁场有限元方法,数值模拟了孔径型扫描近场光学显微镜(aperture Scanning Near-field Optical Microscopy,a-SNOM)在照明模式下的工作过程.针对金偶极天线结构,改变天线长度和纳米间隙尺寸,计算了a-SNOM探针孔径的远场辐射速率随探针端面中心坐标变化的扫描曲线,实现了超越a-SNOM探针通光孔径尺寸的天线金属纳米间隙的超分辨测量,对于100nm通光孔径的探针,可分辨最小尺寸为10nm(0.016倍波长)的金属间隙.通过对比金属和介质偶极天线的a-SNOM探针远场辐射速率测量的计算结果,表明天线金属纳米间隙的超分辨测量的实现是由于金属间隙表面等离激元的激发.     

管式炉中半导体激光器巴条Au80Sn20焊料封装研究

为了提高半导体激光器的封装质量和效率,引入管式炉利用夹具进行批量封装。由于封装质量的好坏直接影响半导体激光器的输出特性和使用寿命,利用MOCVD生长808 nm芯片,重点分析了管式炉温度和封装时间对半导体激光器巴条双面金锡封装质量的影响。利用X射线检测、结电压、光电特性参数和smile效应测试手段,确定了管式炉封装半导体激光器巴条的最优封装条件,为以后的产业化提供了指导意义。     

正则集、单值扩张性和谱映射定理

本文利用正则集和半正则集理论以及单值扩张性理论对32种非空谱的谱映射定理作一梳理.