Surface structure and quenching effects in BiFeO3-BaTiO3 ceramics

The structure and properties of Mn-doped 0.67BiFeO₃-0.33BaTiO₃ ceramics are systematically investigated with respect to the effects of annealing prior to rapid cooling by quenching in air. Air-quenching induces a change in crystal structure from pseudo-cubic to rhombohedral, with higher quenching temperatures leading to an increased rhombohedral distortion. These structural changes are correlated with the appearance of more well-defined ferroelectric domain configurations. It is shown that the surface preparation procedures for XRD measurements can induce significant changes in the peak profiles, indicating differences in crystal structure between the surface and bulk regions. Frequency dispersion in the temperature-dependent relative permittivity for the as-sintered sample is significantly reduced after quenching, accompanied by enhancement of the Curie point and improved temperature-stability of piezoelectric properties. It is proposed that the formation of defect clusters by A-site cation diffusion during cooling is circumvented by quenching, leading to the observed modification of structural distortion and ferroelectric properties.     

3D MHD cross flow over an exponential stretching porous surface

The present study aims to investigate the effects of thermal‐diffusion and diffusion‐thermo onan magnetohydrodynamic convective flow of viscous fluids over an exponentially stretching sheet. Thermal radiation effects are also considered in the study. This analysis is carried out in three dimensions and a similarity transformation is adopted to get a set of ordinary differential equations from a set of partial differential equations. And the Fourth‐order Runge‐Kutta method and shooting technique along with the secant method are employed to find out an iterative solution. We also analyze here the influence of the variable magnetic field, nonuniform permeability and variable chemical reaction on the fluid flow. The impact of various pertinent parameters of interest has extensively been explored through graphs and tables. The major findings of the present study are that resistive Lorentz force diminishes the fluid velocity and uplifts the thermal as well as concentration fields. Inclusion of porous matrix improves the viscous drag force which in turn augments wall shear stresses and peters out the heat and mass transfer rates from the sheet. In addition, the thermal expansion coefficient has an inverse relation with temperature.     

煤层气压裂井裂缝参数优化及效果评价

因煤层复杂渗流机理及低孔低渗特征，煤层气均需采取压裂改造措施进行开采。为了正确认识压裂参数对煤层气井产能、采出程度及井网部署的影响规律，从储层应力形变及煤层气解吸、扩散、渗流流固耦合分析出发，建立压裂井气水两相非线性渗流模型，研究裂缝参数、储层非均质性对井距及井网类型优化的影响，并且采用注入压降试井解释对压裂工艺参数进行评价。研究结果表明：煤层流体以非线性渗流为主，物性呈现先下降后上升的特征，存在启动压力梯度的影响；井距优化应考虑裂缝方向、裂缝穿透比、裂缝导流能力等因素的影响；矩形与菱形井网选择要参考储层各向异性系数的临界值；避免注入压降测试中井筒液面的变化及测试段的选择对试井解释结果的影响，提高压裂效果解释评价准确性。研究对煤层气压裂井裂缝、井网参数优化及提高压裂效果评价准确性具有较好的指导意义。     

山苍子精油与食品添加剂对水产品腐败菌的联合抑制作用研究

目的研究山苍子精油与食品添加剂对水产品腐败菌的联合抑制作用。方法采用气相色谱-质谱联用法对山苍子精油的化学组分进行分析;然后以腐败希瓦氏菌SM-R2、莓实假单胞菌SM-R1、摩拉维亚假单胞菌SM-T1为研究对象,采用微量肉汤稀释法研究5种食品添加剂的抑菌活性;通过棋盘稀释法研究山苍子精油与聚赖氨酸及柠檬酸的联合抑菌效应。结果从山苍子精油中检测出16种单体化合物,且主要成分为柠檬醛,相对含量为62.7%;天然防腐剂聚赖氨酸和柠檬酸对3株受试腐败菌株具有显著抑制作用,最小抑菌浓度分别为0.25、2 mg/mL;山苍子精油与聚赖氨酸联合抑菌时具有相加效应。结论将山苍子精油与聚赖氨酸联合使用具有相加效应,能有效扩大精油抑菌范围并减少其使用量,有望应用于冷藏水产品的绿色保鲜。     

Modeling Alcohol Dehydrogenase Catalysis in Deep Eutectic Solvent/Water Mixtures

The use of oxidoreductases (EC1) in non-conventional reaction media has been increasingly explored. In particular, deep eutectic solvents (DESs) have emerged as a novel class of solvents. Herein, an in-depth study of bioreduction with an alcohol dehydrogenase (ADH) in the DES glyceline is presented. The activity and stability of ADH in mixtures of glyceline/water with varying water contents were measured. Furthermore, the thermodynamic water activity and viscosity of mixtures of glyceline/water have been determined. For a better understanding of the observations, molecular dynamics simulations were performed to quantify the molecular flexibility, hydration layer, and intraprotein hydrogen bonds of ADH. The behavior of the enzyme in DESs follows the classic dependence of water activity (a_W) in non-conventional media. At low a_W values (<0.2), ADH does not show any activity; at higher a_W values, the activity was still lower than that in pure water due to the high viscosities of the DES. These findings could be further explained by increased enzyme flexibility with increasing water content.     

GeTe中铁电极化对自旋霍尔电导的调控研究

利用电场控制电荷的自旋流与电流相互转换是自旋电子器件的关键所在,而这种控制机制在铁电半导体GeTe中可以得到实现,因为其铁电极化可以改变自身的自旋织构。基于密度泛函理论计算,我们发现可以通过铁电极化可以进一步调节自旋霍尔电导(spinHallconductivity,简记为SHC),通过计算得到自旋霍尔电导的一个分量σxyz在带边缘附近可以达到100?/e(?cm)-1的量级,其主要原因在于电极化改变了能带结构。该研究工作为可控的自旋输运的实验和理论研究具有重要的价值,必将推动自旋电子学的进一步发展。     

污泥生物炭中氮硫行为及环境效应研究进展

污泥生物炭中氮硫元素含量高，其氮硫行为和环境效应对全球气候变化的影响不容忽视。以往的研究中，研究者往往以富碳生物炭作为主要研究对象，关注碳对全球气候变化的行为和功效，而对氮硫元素的作用关注不够。本文从原始污泥基本性质到其热解过程，再到生物炭的老化，逐步对污泥生物炭整个生命周期内氮硫的行为及其环境效应研究进行综述，并对未来应注重开展的研究方向进行展望，为生物炭中氮硫元素固定、释放及与之关联的环境效应和温室气体排放控制研究提供理论基础。分析表明，污泥中氮元素含量普遍高于硫元素，且热解过程中氮比硫更容易转移至气相产物。氮硫元素随热解温度的增加，在三相产物中的分配都是炭中持续减少，油中先增后减，气中一直增加。高温（＞800℃）条件下，气相中的氮含量高于固相，而硫元素则仍然主要存在于固相中。污泥生物炭老化及其环境效应研究表明，污泥生物炭氮硫元素与土壤的相互作用及其温室效应问题在今后的研究中应引起重视。     

Synthesis,complexation and biological effects studies of new thiacrown ethers derived quinoline: part I

A series of new thiacrown ethers derived quinoline 7–9 were synthesized in good yield and in a simple way. Their transition metal ions complexation was studied using a conductometric method in acetonitrile at 25°C. Crowns 7 and 8 showed a continuous decrease in the molar conductances in their complexation with Ag⁺, Cu²⁺, Hg²⁺ and Zn²⁺ which begins to level off at a molar ratio of 1:1 crown to metal, indicating the formation of 1 stable 1:1 complex. On the other hand, crown 9 showed the formation of 1:1 complexes only with Ag⁺, Cu²⁺, Hg²⁺. The in vitro, a preliminary antimicrobial, antioxidant and cytotoxic effects on breast tumor cells were also reported. Five bacterial test strains were included in the present study. Antioxidant activity was measured in terms of the radical scavenging ability and decolorization of 1,1-Diphenyl-2-picrylhydrazyl (DPPH) radicals. Cytotoxic effect of thiacrown was evaluated using MDA MB-231 cell line (human breast adenocarcinoma, ATCC HTB-26).     

FeNi@SiO2磁性纳米复合粒子的制备及磁热性能

大量制备磁热性能优异的磁性纳米粒子对磁热疗和组织复温的生物学应用具有理论价值.本研究通过高温电弧法制备FeNi磁性纳米颗粒,通过超声-沉降分级筛分得到平均粒径为80 nm的FeNi纳米颗粒,通过溶胶-凝胶法得到平均粒径为100 nm,SiO2壳层厚度为15～20 nm的FeNi@SiO2纳米复合粒子.超导量子干涉仪测定FeNi@SiO2纳米复合粒子饱和磁化强度Ms为80 emu/g.模拟磁热疗条件下,FeNi@SiO2磁性纳米粒升温速率为3.6℃/min,满足磁热疗应用要求.模拟组织复温条件下,FeNi@SiO2磁性纳米粒升温速率为61.8℃/min.磁性复合纳米粒子在不同溶剂、不同温区条件都显示了良好的热性能,可作为温度激活剂应用于磁热疗及冷冻组织的复温.本研究对磁性纳米材料的生物学应用研究具有一定的参考价值.