不对称取代方酸内鎓盐衍生物电子结构和光谱的理论研究

采用PM3系列方法对新合成的10个不对称取代方酸内盐进行了系统研究.计算得到它们的优化几何构型、电荷分布、IR谱及UV谱,并对光谱进行了理论确认.考察了组态数对理论UV谱的影响.结果表明它们都具有刚性平面结构:方酸环为缺电子中心:对前线轨道的能量分析说明这10个衍生物的一价负离子可以稳定存在,随着组态数目的增加,理论UV谱与实验结果的误差呈减小趋势.所有的光谱理论值和实验值的误差在10%左右.     

Detection of a new mutation (1467-A) for the pedigree withmucopolysaccharidosis type Ⅱ from a Chinese family

Mucopolysaccharidosis type II (MPS II) is a disabling, fatal monogenic disease caused by abnormal metabolism of the mucopolysaccharides[1]. Gene mutation is the basic cause of MPS II and investigation of the IDS gene muta-tion is the premise for prenatal gene diagnosis and gene therapy. MPS II is worldwide distributed with high inci-dence and serious results. To study the IDS gene of Chi-nese MPS II patients is important not only in carrying out one-family policy but also in upraisi…     

Selective flotation separation of andalusite and quartz and its mechanism

The separation of andalusite and quartz was investigated in the sodium oleate flotation system, and its mechanism was studied by solution chemical calculation, zeta-potential tests, Fourier transform infrared spectroscopic (FTIR), and X-ray photoelectron spectroscopic (XPS). The flotation tests results show that FeCl₃·6H₂O has a strong activation effect on andalusite and quartz and citric acid has a strong inhibitory effect on activated quartz, thus increasing the floatability difference between quartz and andalusite when the pulp pH is approximately 8. The FTIR, Zeta potential, and XPS analyses combined with the chemical calculation of flotation reagent solutions demonstrate that Fe forms hydroxide precipitates on the surface of andalusite and quartz and that oleate anions and metal ions adsorb onto the surface of the minerals. The elements Al and Fe can be chemically reacted. The anions in citric acid have different degrees of dissolution of Fe on the andalusite and quartz surfaces, thereby selectively eliminating the activation of the elemental Fe on andalusite and quartz and increasing the floatability of andalusite, leading to a better separation effect between andalusite and quartz.     

氯化亚锡作为还原剂在废旧锂离子电池有价金属浸出回收中的应用研究

The reductant is a critical factor in the hydrometallurgical recycling of valuable metals from spent lithium-ion batteries (LIBs). There is limited information regarding the use of SnCl₂ as a reductant with organic acid (maleic acid) for recovering valuable metals from spent LiCoO₂ material. In this study, the leaching efficiencies of Li and Co with 1 mol·L?1 of maleic acid and 0.3 mol·L?1 of SnCl₂ were found to be 98.67% and 97.5%, respectively, at 60°C and a reaction time of 40 min. We investigated the kinetics and thermodynamics of the leaching process in this study to better understand the mechanism of the leaching process. Based on a comparison with H₂O₂ with respect to leaching efficiency, the optimal leaching parameters, and the activation energy, we determined that it is feasible to replace H₂O₂ with SnCl₂ as a leaching reductant in the leaching process. In addition, when SnCl₂ is used in the acid-leaching process, Sn residue in the leachate may have a positive effect on the re-synthesis of nickel-rich cathode materials. Therefore, the results of this study provide a potential direction for the selection of reductants in the hydrometallurgical recovery of valuable metals from spent LIBs.     

高熵合金及其相关复合材料的粉末冶金综述

High-entropy alloys (HEAs) have attracted increasing attention because of their unique properties, including high strength, hardness, chemical stability, and good wear resistance. Powder metallurgy is one of the most important methods used to fabricate HEA materials. This paper introduces the methods used to synthesize HEA powders and consolidate HEA bulk. The phase transformation, microstructural evolution, and mechanical properties of HEAs obtained by powder metallurgy are summarized. We also address HEA-related materials such as ceramic–HEA cermets and HEA-based composites fabricated by powder metallurgy.     

用于高性能超级电容器的基于蚕沙的二氧化锰/碳纳米复合材料

MnO₂/biomass carbon nanocomposite was synthesized by a facile hydrothermal reaction. Silkworm excrement acted as a carbon precursor, which was activated by ZnCl₂ and FeCl₃ combining chemical agents under Ar atmosphere. Thin and flower-like MnO₂ nanowires were in-situ anchored on the surface of the biomass carbon. The biomass carbon not only offered high conductivity and good structural stability but also relieved the large volume expansion during the charge/discharge process. The obtained MnO₂/biomass carbon nanocomposite electrode exhibited a high specific capacitance (238 F·g?1 at 0.5 A·g?1) and a superior cycling stability with only 7% degradation after 2000 cycles. The observed good electrochemical performance is accredited to the materials’ high specific surface area, multilevel hierarchical structure, and good conductivity. This study proposes a promising method that utilizes biological waste and broadens MnO₂-based electrode material application for next-generation energy storage and conversion devices.     

碳包覆Ti3AlC2增强银基复合材料的制备与性能

Ti₃AlC₂-reinforced Ag-based composites, which are used as sliding current collectors, electrical contacts, and electrode materials, exhibit remarkable performances. However, the interfacial reactions between Ag and Ti₃AlC₂ significantly degrade the electrical and thermal properties of these composites. To diminish these interfacial reactions, we fabricated carbon-coated Ti₃AlC₂ particles (C@Ti₃AlC₂) as reinforcement and prepared Ag–10wt%C@Ti₃AlC₂ composites with carbon-layer thicknesses ranging from 50–200 nm. Compared with the uncoated Ag–Ti₃AlC₂ composite, Ag–C@Ti₃AlC₂ was found to have a better distribution of Ti₃AlC₂ particles. With increases in the carbon-layer thickness, the Vickers hardness value and relative density of Ag–C@Ti₃AlC₂ gradually decreases. With a carbon-layer thickness of 150 nm, we obtained the lowest resistivity of Ag–C@Ti₃AlC₂ of 29.4 135.5×10?9 Ω·m, which is half that of Ag–Ti₃AlC₂ (66.7 × 10?9 Ω·m). The thermal conductivity of Ag–C@Ti₃AlC₂ reached a maximum value of 135.5 W·m?1·K?1 with a 200-nm carbon coating (~1.8 times that of Ag–Ti₃AlC₂). These results indicate that the carbon-coating method is a feasible strategy for improving the performance of Ag–C@Ti₃AlC₂ composites.     

铬对铌微合金钢显微组织和热塑性的影响分析

It is well-known that the surface quality of the niobium microalloy profiled billet directly affects the comprehensive mechanical properties of the H-beam. The effects of chromium on the γ/α phase transformation and high-temperature mechanical properties of Nb-microalloyed steel were studied by Gleeble tensile and high-temperature in-situ observation experiments. Results indicated that the starting temperature of the γ→α phase transformation decreases with increasing Cr content. The hot ductility of Nb-microalloyed steel is improved by adding 0.12wt% Cr. Chromium atoms inhibit the diffusion of carbon atoms, which reduces the thickness of grain boundary ferrite. The number fractions of high-angle grain boundaries increase with increasing chromium content. In particular, the proportion is up to 48.7% when the Cr content is 0.12wt%. The high-angle grain boundaries hinder the crack propagation and improve the ductility of Nb-microalloyed steel.     

Fission Yield Data Systematics for ^238U

Based on the mass distribution data up to 200 MeV measured by Zoner with kinetic energy method （corrected）, the systematics on dependence of chain yield on incident neutron energy for each mass number A with a linear and quadric function was studied. And also the systematics of mass distribution on mass A and incident neutron energy was investigated by using 5 （or 3 ） Gaussian model. A code of nonlinear squared least method was developed and the parameters were deduced by fitting the experimental data. The calculated results with the parameters obtained could reproduce the experimental data used well. But comparisons with the data measured by radiochemistry method show some systematical difference. It is shown that there is some systematical difference between the measured data with kinetic and radioactive nuclide methods, the masons of which need to be investigate further.     

Wavelet domain hidden markovian bayesian document segmentation

1.INTRODUCTION Thedocumentsegmentationisanimportantprepro cessingstepindocumentimageanalysis,suchasim agecompressionandimagerendering.Segmentation resultscanalsobeusedtocategorizedocumentimages accordingtotheircontents,thusprovideusefulmeans fordataretrievingfromdocumentdatabase.The Bayesiandocumentsegmentationproblemconsidered inthispaperistoclassifyanimageintothreeclasses: text,graphandblackgroundaccordingtosome Bayesianestimationrule. Recently,severalmethodsbasedonwaveletdo mains…