液相SO_3~(2-)催化氧化动力学的研究

本文主要对过渡金属Fe2 、Mn2 对SO32 - 液相催化氧化动力学进行了研究。通过研究发现并证实了Fe2 离子对SO32 - 液相催化反应是一级 ,Mn2 离子则是二级反应。当以Fe2 Mn2 为催化剂时 ,反应级数为 1.2级。酸度对反应的影响较大 ,随着酸度伸高反应显著。同时测定了以Fe2 、Mn2 为催化剂时的活化能分别为 :Ea(Fe) =10 .5kJ mol,Ea(Mn) =9.91kJ mol     

Synthesis and Tribological Behaviour of 1,3,4-Thiadiazole Schiff Base Derivatives as Multifunctional Lubricant Additives

Six new 1,3,4-thiadiazole Schiff base derivatives were synthesized and characterized by IR spectroscopy and ~1H NMR spectrometry, and their anti-corrosion properties and thermal stability were investigated via thermogravimetric analysis(TGA) and copper strip corrosion test. The tribological behavior of the said Schiff base derivatives was evaluated on an Optimol SRV~?4 oscillating reciprocating friction and wear tester. The worn surfaces of the steel discs were investigated using a scanning electron microscope(SEM) and energy dispersive X-ray spectrometer(EDS). The test results indicated that these thiadiazole Schiff base derivatives possessed favourable thermal stability, corrosion inhibiting ability and the capability of improving the tribological characteristic of the base oil effectively. It is assumed that the adsorbed additives probably reacted with the steel surfaces during the friction process, resulting in the formation of a protective film composed of sulphates, sulphides and organic nitrogen compounds.     

未来弹性与AES

介绍了未来弹性的概念,对将未来弹性引入AES评估标准的优点进行了探讨,以来来弹性的观点分析了第二轮AES候选算法的遴选并提出了具体建议。     

碳富勒烯在水中的运动阻力特性研究

采用分子动力学(MD)方法,模拟了Cn(n=60,180,240,540),以及C60@C240富勒烯在水中的速度衰减过程,得到了它们的阻力-速度与阻力-雷诺(Re)数关系曲线;进而将MD模拟的阻力结果和低Re数宏观流体力学中球的Stokes阻力解进行了对比。研究表明,低Re数下,富勒烯在水中的阻力要比传统流体力学中球的Stoke解高两个数量级;富勒烯在水中的阻力可通过Stokes解乘以(110.38-1.48／Re)近似估算。     

PROPERTIES OF W/Cu FGMS CONTAINING 1%TiC OR 1%La2O3 PREPARED USING GSUHP

W / Cu functionally gradient materials (FGMs) containing 1%La_2O_3 and 1%TiC were prepared using graded sintering under ultra-high pressure (GSUHP). The specimens have been found to exhibit low porosity (11.57% and 11.35%, respectively). Shearing strength of the specimens between layers is good. Moreover, the specimens have still demonstrated good performance in testing thermal-shock resistance. When power density of laser is 200MWm~(-2), the specimens have been tested for thermal-shock resistance (1000 times); the specimens that contained 1%La_2O_3 were not subjected to damage, whereas those that contained 1%TiC began to crack. Finally, effect of additives on thermal-shock resistance was also preliminarily discussed.     

The Use of Molecular Dynamics Simulation Method to Quantitatively Evaluate the Affinity between HBV Antigen T Cell Epitope Peptides and HLA-A Molecules

Chronic hepatitis B virus (HBV), a potentially life-threatening liver disease, makes people vulnerable to serious diseases such as cancer. T lymphocytes play a crucial role in clearing HBV virus, while the pathway depends on the strong binding of T cell epitope peptide and HLA. However, the experimental identification of HLA-restricted HBV antigenic peptides is extremely time-consuming. In this study, we provide a novel prediction strategy based on structure to assess the affinity between the HBV antigenic peptide and HLA molecule. We used residue scanning, peptide docking and molecular dynamics methods to obtain the molecular docking model of HBV peptide and HLA, and then adopted the MM-GBSA method to calculate the binding affinity of the HBV peptide–HLA complex. Overall, we collected 59 structures of HLA-A from Protein Data Bank, and finally obtained 352 numerical affinity results to figure out the optimal bind choice between the HLA-A molecules and 45 HBV T cell epitope peptides. The results were highly consistent with the qualitative affinity level determined by the competitive peptide binding assay, which confirmed that our affinity prediction process based on an HLA structure is accurate and also proved that the homologous modeling strategy for HLA-A molecules in this study was reliable. Hence, our work highlights an effective way by which to predict and screen for HLA-peptide binding that would improve the treatment of HBV infection.     

GaAIAs/GaAs正面发光管的失效机理研究

研究和分析了高辐射GaAlAs/GaAs LED的退化机理。经高温加速老化,估算器件的工作寿命为10~5小时,并估算该器件的激活能为0.58eV。     

High-Q microresonators on 4H-silicon-carbide-oninsulator platform for nonlinear photonics

The realization of high-quality (Q) resonators regardless of the underpinning material platforms has been a ceaseless pursuit, because the high-Q resonators pro...     

A Novel Human Antibody,HF, against HER2/erb-B2 Obtained by a Computer-Aided Antibody Design Method

Fully human antibodies have minimal immunogenicity and safety profiles. At present, most potential antibody drugs in clinical trials are humanized or fully human. Human antibodies are mostly generated using the phage display method (in vitro) or by transgenic mice (in vivo); other methods include B lymphocyte immortalization, human–human hybridoma, and single-cell polymerase chain reaction. Here, we describe a structure-based computer-aided de novo design technology for human antibody generation. Based on the complex structure of human epidermal growth factor receptor 2 (HER2)/Herceptin, we first designed six short peptides targeting the potential epitope of HER2 recognized by Herceptin. Next, these peptides were set as complementarity determining regions in a suitable immunoglobulin frame, giving birth to a novel anti-HER2 antibody named “HF,” which possessed higher affinity and more effective anti-tumor activity than Herceptin. Our work offers a useful tool for the quick design and selection of novel human antibodies for basic mechanical research as well as for imaging and clinical applications in immune-related diseases, such as cancer and infectious diseases.