Fabricating Dual-Atom Iron Catalysts for Efficient Oxygen Evolution Reaction: A Heteroatom Modulator Approach

Understanding the thermal aggregation behavior of metal atoms is important for the synthesis of supported metal clusters. Here, derived from a metal–organic framework encapsulating a trinuclear Fe^III₂Fe^II complex (denoted as Fe₃) within the channels, a well-defined nitrogen-doped carbon layer is fabricated as an ideal support for stabilizing the generated iron nanoclusters. Atomic replacement of Fe^II by other metal(II) ions (e.g., Zn^II/Co^II) via synthesizing isostructural trinuclear-complex precursors (Fe₂Zn/Fe₂Co), namely the “heteroatom modulator approach”, is inhibiting the aggregation of Fe atoms toward nanoclusters with formation of a stable iron dimer in an optimal metal–nitrogen moiety, clearly identified by direct transmission electron microscopy and X-ray absorption fine structure analysis. The supported iron dimer, serving as cooperative metal–metal site, acts as efficient oxygen evolution catalyst. Our findings offer an atomic insight to guide the future design of ultrasmall metal clusters bearing outstanding catalytic capabilities.     

Microstructure,mechanical properties and wear resistance of an Al–Mg–Si alloy produced by equal channel angular pressing

Microstructure, mechanical properties and wear resistance in an ultrafine-grained Al–Mg–Si alloy fabricated utilizing a combination of equal channel angular pressing (ECAP) and dynamic aging were investigated in this paper. The results indicated that the grain size of the ECAP alloy was significantly refined, i.e., to ~239 nm after three ECAP passes. Meanwhile, the yield and tensile strength of the ECAPed material reached 340 MPa and 445 MPa, respectively, while maintaining a significant uniform elongation of 14%. Wear resistance results demonstrated that the wear rate, wear depth and width of the ECAPed material decreased in comparison with the solution-treated (SST) and peak-aged (T6) conditions under a load range of 5–25 N. The adhesive wear that occurs in the undeformed specimens at 10 N does not appear in the ECAPed specimen at the same load, indicating that the ECAPed specimen delay the appearance of more serious wear mechanisms under certain loads. The cooperative interaction of high density nano-scale β" precipitates and dislocations resulted in a combination of super-high strength and good work hardening ability which suppressed the extension of cracks between the friction layer and the plastic deformation zone. As a consequence, the combination of ECAP and dynamic aging brings a significant improvement for antifriction performance of the 6061 aluminum alloy.     

Quinazoline Derivatives Designed as Efflux Pump Inhibitors: Molecular Modeling and Spectroscopic Studies

Multidrug resistance of bacteria is a worrying concern in the therapeutic field and an alternative method to combat it is designing new efflux pump inhibitors (EPIs). This article presents a molecular study of two quinazoline derivatives, labelled BG1189 and BG1190, proposed as EPIs. In silico approach investigates the pharmacodynamic and pharmacokinetic profile of BG1189 and BG1190 quinazolines. Molecular docking and predicted ADMET features suggest that BG1189 and BG1190 may represent attractive candidates as antimicrobial drugs. UV-Vis absorption spectroscopy was employed to study the time stability of quinazoline solutions in water or in dimethyl sulfoxide (DMSO), in constant environmental conditions, and to determine the influence of usual storage temperature, normal room lighting and laser radiation (photostability) on samples stability. The effects of irradiation on BG1189 and BG1190 molecules were also assessed through Fourier-transform infrared (FTIR) spectroscopy. FTIR spectra showed that laser radiation breaks some chemical bonds affecting the substituents and the quinazoline radical of the compounds.     

Effect of heat treatment on microstructures and properties of a novel Al-Zn-Mg-Cu alloy for oil drilling

In view of the special requirements for strength, heat resistance and corrosion resistance of Al-Zn-Mg-Cu alloy for oil drilling, the Al-6.2 Zn-2.5 Mg-1.6 Cu alloy was prepared by increasing Cu content on basis of Russian Series 1953 alloy. The effect of heat treatment on the microstructures and properties of the alloy was characterized by optical microscope(OM), scanning electron microscope(SEM) and transmission electron microscope(TEM), and investigated by tensile test at room temperature, thermal exposure test and corrosion test. The results show that the strength after T6 aging treatment exhibit a decrease trend as an increase of the solution temperature from465 °C to 480 °C. After the solution treated by the rate of 470 °C/1 h, second phases dissolve into the matrix very well and the strength property reaches optimum. The alloy has better comprehensive properties treated by a solution treatment of 470 °C/1 h and then followed by an aging treatment of 120 °C/24 h + 170 °C/1 h + 120 °C/24 h. Under the aging state, the precipitated phases inside the grains are suitable in size, while on the grain boundary distribute discontinuously and the precipitate-free zone is obvious. Besides, the alloy still maintain high tensile properties. The yield strength, tensile strength and elongation are 650 MPa, 686 MPa,12.0%, respectively. The yield strength retention after heat exposure is 92%. The alloy has good corrosion resistance and the exfoliation corrosion degree. The average corrosion rate in the H_2S and CO_2 environment is 0.0024 mm/a, which is far less than the required 0.12 mm/a. It is insensitive to H_2S and CO_2 environments.     

Discovery of Novel Symmetrical 1,4-Dihydropyridines as Inhibitors of Multidrug-Resistant Protein (MRP4) Efflux Pump for Anticancer Therapy

Despite the development of targeted therapies in cancer, the problem of multidrug resistance (MDR) is still unsolved. Most patients with metastatic cancer die from MDR. Transmembrane efflux pumps as the main cause of MDR have been addressed by developed inhibitors, but early inhibitors of the most prominent and longest known efflux pump P-glycoprotein (P-gp) were disappointing. Those inhibitors have been used without knowledge about the expression of P-gp by the treated tumor. Therefore the use of inhibitors of transmembrane efflux pumps in clinical settings is reconsidered as a promising strategy in the case of the respective efflux pump expression. We discovered novel symmetric inhibitors of the symmetric efflux pump MRP4 encoded by the ABCC4 gene. MRP4 is involved in many kinds of cancer with resistance to anticancer drugs. All compounds showed better activities than the best known MRP4 inhibitor MK571 in an MRP4-overexpressing cell line assay, and the activities could be related to the various substitution patterns of aromatic residues within the symmetric molecular framework. One of the best compounds was demonstrated to overcome the MRP4-mediated resistance in the cell line model to restore the anticancer drug sensitivity as a proof of concept.     

基于电化学老化衰退模型的锂离子动力电池外特性

当前锂离子动力电池电化学模型存在模型复杂、建模难度大、计算效率低、老化评估效果差的问题,本文提出一种考虑电池衰退老化的机理模型(ADME).本文首先通过有限差分法对伪二维(P2D)电化学模型进行离散降阶处理,得到简化伪二维(SP2D)模型.在SP2D模型的基础上,基于阴阳两极发生的副反应导致的衰退老化现象,提出一种考虑电池衰退老化的机理模型.其次,使用多变量偏差补偿最小二乘法实现模型参数辨识.最后通过动力电池衰退老化性能循环实验,对比分析了恒流、脉冲工况下SP2D模型和ADME模型的终端电压输出.结果表明:ADME模型较为简单、计算效率和估算精度高,可以有效评估电池容量老化衰退,得到理想的锂离子动力电池外特性曲线.     

Fracture behavior and mechanical,thermal, and rheological properties of biodegradable films extruded by flat die and calender

The development of biodegradable materials for tailored applications, particularly in the field of polymeric films and sheets, is a challenging technological goal as well as a contribution to help protect the environment. Poly(lactic) acid (PLA) is a promising substitute for several oil-based polymers; however, to overcome its thermal and mechanical drawbacks, researchers have developed solutions such as blending PLA with polybutylene adipate terephthalate (PBAT), which is capable of increasing the ductility of the final material. In this study, PLA/PBAT binary blends, with minimum possible content of nonrenewable materials, were examined from processing, thermal, morphological, and rheological perspective. An optimized PLA/PBAT ratio was chosen as the polymeric basis to obtain a biodegradable formulation by adding a biobased plasticizer and appropriate fillers to produce a micrometer film with tailored flexibility and tear resistance. The processing technology involved flat-die extrusion, followed by calendering. The tearing resistance of the produced film was investigated, and the results were compared with literature data. A study on the essential work of fracture was implemented to explore the mode III out-of-plane fracture resistance starting from a trouser tear test.     

Quinones for redox flow batteries

Quinones are electroactive species that have shown great promise for redox flow batteries due to the ability to tune their properties and to act as both negative and positive electrolytes. The following review outlines highlights of work in the last couple of years working to provide materials with higher stability, solubility, and performance. Developments toward stable negolytes have provided opportunities for potential commercial opportunities when paired with alternate chemistries. However, the stability of quinones in high potential electrolytes is still not sufficient and the number of potential quinones limited.     

智能高速罐身电阻焊机数字化控制系统

提出了以国产MCT80 0 0F8运动控制器为核心的智能高速罐身电阻焊机数字化控制系统 ,并介绍了系统的组成、工作原理、硬件接口、电机控制方法以及伺服电机的运动关系数学模型 .新的系统有利于提高罐身电阻焊机的制罐生产速度 ,并具有功能全面、可靠性高、控制精确、开放性好以及成本较低等优点     

NIPA类共聚温敏水凝胶中水的状态和耐热性

用N-异丙基丙烯酰胺（NIPA）与丙烯酸钠（SA）及甲基丙烯酸钠（SMA）共聚合成了两个系列的水凝胶，研究了共聚组成与水凝胶基本性质的关系，并用示差扫描量热法（DSC）和热失重法（TG）研究了此类水凝胶中水的状态和耐热性。