Effects of different metal corrosion inhibitors on hydrogen suppression and film formation with Mg–Zn alloy dust in NaCl solutions

To improve the safety of wet dust removal systems for processing magnesium-based alloys, a new method is proposed for preventing hydrogen generation. In this paper, hydrogen generation by Mg–Zn alloy dust was inhibited with six common metal corrosion inhibitors. The results showed that sodium dodecylbenzene sulfonate was the best hydrogen inhibitor, while CeCl₃ enhanced hydrogen precipitation. The film-forming stability of sodium dodecylbenzene sulfonate was tested with different contents, temperatures, Cl^? concentrations and perturbation rates. The results showed that this inhibitor formed stable protective films on the surfaces of Mg–Zn alloy particles, and adsorption followed the Langmuir adsorption model.     

无黏土相盐水储层钻开液体系构建及其抗污染性能评价

采用NaCl/KCl/HCOONa复配欠饱和盐水作为钻开液的基础液相,自研的聚合物VIS-B作为流型调节剂,可酸溶的改性淀粉STA作为体系的降失水剂,Dua及Jqw作为暂堵材料,构建了一套无黏土相钻开液体系。该体系在密度1.10~1.28 g/cm^3间稳定可调,抗温可达130℃,具有较高的低剪切速率黏度和较好的润滑性能,且能有效抵抗各类储层污染物的污染,满足了Missan油田不同储层段的作业需求。     

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.     

Discovery of New Antiproliferative Imidazopyrazole Acylhydrazones Able To Interact with Microtubule Systems

Even though immunotherapy has radically changed the search for anticancer therapies, there are still many different pathways that are open to intervention with traditional small molecules. To expand our investigation in the anticancer field, we report here a new series of compounds in which our previous pyrazole and imidazopyrazole scaffolds are linked to a differently decorated phenyl ring through an acylhydrazone linker. Preliminary tests on the library were performed at the National Cancer Institute (USA) against the full NCI 60 cell panel. The best compounds among the imidazopyrazole series were then tested by immunofluorescence staining for their inhibition of cell proliferation, apoptosis induction, and their effect on the cell cycle and on microtubules. Two compounds, in particular 4-benzyloxy-3-methoxybenzyliden imidazopyrazole-7-carbohydrazide showed good growth inhibition, with IC₅₀ values in the low-micromolar range, and induced apoptosis. Both compounds altered the cell-cycle phases with the appearance of polyploid cells. Immunofluorescence analysis evidenced microtubules alterations; tubulin polymerization assays and docking studies suggested the tubulin system to be the possible, although not exclusive, target of the new acylhydrazone series reported here.     

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.     

An Atomistic Understanding of Allosteric Inhibition of Glutamate Racemase: a Dampening of Native Activation Dynamics

Glutamate racemases (GR) are members of the family of bacterial enzymes known as cofactor-independent racemases and epimerases and catalyze the stereoinversion of glutamate. D-amino acids are universally important for the proper construction of viable bacterial cell walls, and thus have been repeatedly validated as attractive targets for novel antimicrobial drug design. Significant aspects of the mechanism of this challenging stereoinversion remain unknown. The current study employs a combination of MD and QM/MM computational approaches to show that the GR from H. pylori must proceed via a pre-activation step, which is dependent on the enzyme's flexibility. This mechanism is starkly different from previously proposed mechanisms. These findings have immediate pharmaceutical relevance, as the H. pylori GR enzyme is a very attractive allosteric drug target. The results presented in this study offer a distinctly novel understanding of how AstraZeneca's lead series of inhibitors cripple the H. pylori GR's native motions, via prevention of this critical chemical pre-activation step. Our experimental studies, using SPR, fluorescence and NMR WaterLOGSY, show that H. pylori GR is not inhibited by the uncompetitive mechanism originally put forward by Lundqvist et al.. The current study supports a deep connection between native enzyme motions and chemical reactivity, which has strong relevance to the field of allosteric drug discovery.     

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。     

Antifungal and antimycotoxigenic effects of Zingiber officinale,Cinnamomum zeylanicum and Cymbopogon martinii essential oils against Fusarium verticillioides

ABSTRACT

There is an increasing demand for fungi control in grains, especially toxigenic. Also, there is growing concern on the use of synthetic fungicides; thus alternatives are needed. The aim of this study was to evaluate the antifungal and antimycotoxigenic action of essential oils (EOs) from Zingiber officinale, Cinnamomum zeylanicum and Cymbopogon martinii against Fusarium verticillioides, a spoilage and toxigenic fungus. Essential oils were first chemically characterised by gas chromatography coupled to mass spectrometry, and their antioxidant potential was measured by the DPPH, ABTS and FRAP methods. Minimum inhibitory concentration (MIC) and disc diffusion were used to assess antifungal activity. Scanning electron microscopy was used to evaluate morphological changes in the fungus. Antimycotoxigenic activity of the EOs against the production of fumonisin B₁ and B₂ by F. verticillioides was evaluated using ultra-high-performance liquid chromatography system. Z. officinale, C. zeylanicum and C. martinii EOs were predominantly composed by zingiberene and geranial; eugenol; and geraniol, respectively. All the EOs had high antioxidant power, especially that from C. zeylanicum. The MICs were 250, 500 and 2,000 µg mL^?1 for C. zeylanicum, C. martinii and Z. officinale EOs, respectively. Mycelial reduction of F. verticillioides was observed when EOs were used, and the lowest activity was detected in the Z. officinale EO. Overall, the tested EOs promoted structural damage to the fungal cell wall, decreased conidia size and mycelial reduction. Antimycotoxigenic evaluation of the EOs evidenced a significant reduction (p < .05) in the production of fumonisins B₁ and B₂ with all the EOs evaluated in the study. These results suggest that especially C. zeylanicum and C. martinii EOs are highly useful for controlling F. verticillioides and fumonisins production.     

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。