Atomistic insight into the lubrication of glycerol aqueous solution: The role of the solid interface-induced microstructure of fluid molecules

Molecular dynamics simulations are performed to investigate the solid surface-induced microstructure and friction coefficient of glycerol aqueous solutions with different water contents confined in graphene and FeO nanoslits. Results show that the friction coefficient of glycerol aqueous solutions confined in both nanoslits presents similar nonlinear variation tendencies with increasing water content, but their lowest value and the corresponding water contents differ. Distinctive microstructures of the near-surface liquid layer induced by surfaces with different hydrophilicity are responsible for their difference in lubrication. The sliding primarily occurs at the solid–liquid interface for the hydrophobic graphene nanoslit owing to almost the same velocity difference in fluid molecules. By contrast, the sliding mainly occurs at the liquid–liquid interface for the hydrophilic FeO nanoslit because of the large velocity difference in fluid molecules. The weaker the interaction force at the sliding position, the lower the friction coefficient.     

Integrated experimental and thermodynamic modeling study of phase equilibria in the ‘CuO0.5’-MgO-SiO2 system in equilibrium with liquid Cu metal for characterizing refractory-slag interactions

An integrated experimental and thermodynamic modeling study of the phase equilibria in the ‘CuO_0.5’-MgO-SiO₂ system in equilibrium with liquid Cu metal has been undertaken to better understand the reactions between MgO-based refractories and liquid slag in copper converting and refining processes. New experimental phase equilibria data at 1250–1680 °C were obtained for this system using a high-temperature equilibration of synthetic mixtures with predetermined compositions in silica ampoules or magnesia crucibles, a rapid quenching technique, and electron probe X-ray microanalysis of the equilibrated phase compositions. The system has been shown to contain primary phase fields of cristobalite (SiO₂), tridymite (SiO₂), pyroxene/protoenstatite (MgSiO₃), olivine/forsterite (Mg₂SiO₄), periclase (MgO), and cuprite (Cu₂O). Three regions of 2-liquid immiscibility were found—two in the high-silica range of compositions above the cristobalite primary phase field (close to ‘CuO_0.5’-SiO₂ and MgO–SiO₂ binaries) and one in the low-SiO₂, high-‘CuO_0.5’ compositional region above the periclase and olivine phase fields. The results obtained in this study indicate that silica in high-copper refining slags likely led to olivine and pyroxene phase formation, increased solubility of MgO in liquid slag, and decline in the performance of MgO-based refractories. New experimental data were used in the development of a thermodynamic database describing this pseudo-ternary system.     

雪菊精油对希氏肠球菌产酪胺及相关基因表达的影响

探讨不同质量浓度雪菊精油对希氏肠球菌（Enterococcus hirae）N47产酪胺的影响机制。利用反转录实时定量聚合酶链式反应分析E. hirae在雪菊精油作用下酪氨酸脱羧途径相关基因的表达情况；利用高效液相色谱法检测不同质量浓度雪菊精油对E. hirae产酪胺的影响。并将E. hirae接入到含不同质量浓度雪菊精油的熏马肠中发酵，评估香肠pH值、菌落总数和酪胺积累量。结果表明：在E. hirae纯培养体系和熏马肠体系中，雪菊精油通过抑制微生物的生长和酪氨酸脱羧途径中tyr DC、tyr P基因的表达，降低酪胺的积累量（P＜0.05）。当雪菊精油添加量为1/2最小抑菌浓度（minimal inhibitory concentration，MIC）和MIC时，熏马肠中酪胺的含量分别为78.52 mg/kg和45.83 mg/kg，较对照组分别减少了64.72%和79.41%。     

基于乙酰胆碱酯酶和氧化应激研究海胆酮对阿尔茨海默症的作用机制

海胆酮是一种酮式类胡萝卜素，主要从海胆及藻类等海洋生物中提取。本文研究海胆酮对乙酰胆碱酯酶（acetylcholinesterase，AChE）的抑制作用，应用酶动力学、荧光光谱、圆二色光谱和分子对接技术研究海胆酮对AChE的抑制机理，并用淀粉样β蛋白片段25～35（amyloid beta-peptide 25-35，Aβ25-35）诱导大鼠肾上腺嗜铬细胞瘤细胞（PC12细胞）建立阿尔茨海默症（Alzheimer’s disease，AD）模型，研究海胆酮对AD细胞模型氧化应激损伤的作用。结果表明，海胆酮有很强的AChE抑制活性，其半抑制质量浓度为（16.29±0.97）μg/mL，抑制常数Ki为3.82 μg/mL，表现为竞争性抑制；海胆酮可诱导AChE二级结构改变，更容易与AChE活性中心氨基酸Ser200、His440、Trp84和Tyr121结合，阻碍底物碘代硫代乙酰胆碱（acetylthiocholine iodide，ATCI）与酶结合，从而引起酶活力降低。海胆酮能有效抑制Aβ25-35诱导PC12细胞的AChE活力，降低丙二醛含量，增加超氧化物歧化酶、过氧化氢酶和谷胱甘肽过氧化物酶活力，减轻Aβ25-35诱导的PC12细胞氧化应激损伤。本研究基于AChE和氧化应激阐明了海胆酮对AD的潜在作用机制，为海胆酮在功能食品、生物医药等领域的应用提供了数据支持和理论根据。     

Deterministic and probabilistic ship pitch prediction using a multi-predictor integration model based on hybrid data preprocessing,reinforcement learning and improved QRNN

The deterministic and probabilistic prediction of ship motion is important for safe navigation and stable real-time operational control of ships at sea. However, the volatility and randomness of ship motion, the non-adaptive nature of single predictors and the poor coverage of quantile regression pose serious challenges to uncertainty prediction, making research in this field limited. In this paper, a multi-predictor integration model based on hybrid data preprocessing, reinforcement learning and improved quantile regression neural network (QRNN) is proposed to explore the deterministic and probabilistic prediction of ship pitch motion. To validate the performance of the proposed multi-predictor integrated prediction model, an experimental study is conducted with three sets of actual ship longitudinal motions during sea trials in the South China Sea. The experimental results indicate that the root mean square errors (RMSEs) of the proposed model of deterministic prediction are 0.0254°, 0.0359°, and 0.0188°, respectively. Taking series #2 as an example, the prediction interval coverage probabilities (PICPs) of the proposed model of probability predictions at 90%, 95%, and 99% confidence levels (CLs) are 0.9400, 0.9800, and 1.0000, respectively. This study signifies that the proposed model can provide trusted deterministic predictions and can effectively quantify the uncertainty of ship pitch motion, which has the potential to provide practical support for ship early warning systems.     

Kinetic Monte Carlo simulation of hydrogen production from photocatalytic water splitting in the presence of methanol by 1 wt% Au/TiO2

In this research, using the kinetic Monte Carlo simulation (KMC), the hydrogen production from a water-methanol mixture using Au/TiO₂ photocatalyst is investigated. A mechanism is proposed, and the rate constants of the reaction steps are specified. The reaction rate constants of different steps and the concentration of the active sites on the photocatalyst surface were determined. An excellent match between simulated and experimental data confirms the results. The electron-hole pair production, methanol adsorption on the photocatalyst surface, and electron-hole recombination steps are considered the most critical steps. To study the effects of independent variables (initial concentration of methanol, photocatalyst dosage, pH, and time of reaction) on the produced hydrogen, a combination of KMC simulation and design of experiment was employed. The concentration of photocatalysis has the highest and pH has the lowest effect on the hydrogen production. The optimal conditions for photocatalytic hydrogen production are presented.     

基于有限元法的石油射孔枪弹间干扰研究

石油射孔弹顺序起爆后,弹间冲击波相互作用是一个高度非线性的力学过程。基于有限元法对这一过程进行显式动力分析,由计算结果得知,高孔密射孔枪弹间干扰产生的主要原因是下位弹在不对称的压力场起爆。设计的不同孔密和不同爆速的导爆索两种情形的爆轰试验结果表明,弹间间距越小(即孔密的增加),弹间干扰越严重;随着导爆索爆速的降低,下位弹射流头部质量集中的"中间"偏转角度增大,上位弹对其干扰越明显。以上结论可用于高孔密射孔枪的优化设计。     

Effect of heat loss on the syngas production by fuel-rich combustion in a divergent two-layer burner

The effect of heat loss on the syngas production from partial combustion of fuel-rich in a divergent two-layer burner is numerically studied using two-dimensional model with detailed kinetics GRI-Mech 1.2. Both the radiation and wall heat losses to the surrounding are considered in the computations. It is shown that two types heat losses have different effects on the syngas production. The radiation heat loss has significant effect on the syngas temperature and the syngas temperature is dropped as radiation heat loss is increased, but it has neglected effect on the reforming efficiency and methane conversion efficiency. The wall heat loss has a comprehensive effect on the syngas production. The wall heat loss not only reduces the conversion efficiency, but also significantly decreases the syngas temperature. The effect of wall heat loss becomes weak as the equivalence is increased. The reforming efficiency drops from 0.440 to 0.424 for equivalence ratio of 2 and mixture velocity of 0.17 m/s for the predictions between adiabatic wall and non-adiabatic conditions.     

Flow field simulation and pressure drop modeling by a porous medium in PEM fuel cells

For proton-exchange membrane fuel cells, the distribution of reactant flow in the stack is critical to the fuel cell's efficiency. The uneven distribution of reactant flow in the stack may cause poor current density, low performance, and material degradation. To understand and accurately predict the flow field in the proton-exchange membrane fuel cell system, the present study aims to develop a simple correlation to analyze the pressure drop in fuel cell stacks. The flow channel in each cell of a stack is treated as a porous medium, and a power-law model is used to approximate the porous medium momentum source term. For the stacks with fewer cell numbers, namely, 1, 5, and 10 cells, the parameters in the power law are established based on the experimental data. Then, a correlation is developed to simulate the flow and predict the pressure drop in the stack with higher cell numbers (ie, 20 and 40 cells). The simulations show that the pressure drop in each cell of a stack is almost invariable, and the average pressure drop decreases with increasing the number of cells. The flow uniformity in the stacks with different cell numbers is evaluated using the dimensionless pressure drop and the pressure drop ratios. It suggests that the lower the cell number, the more uniform the pressure drop. The developed model is conducive to efficiently designing the flow channel for a fuel cell stack with large cell numbers.     

Effects of non-thermal plasma treating wheat kernel on the physicochemical properties of wheat flour and the quality of fresh wet noodles

The effects of non-thermal plasma (NTP) on the physicochemical properties of wheat flour and the quality of fresh wet noodles ( FWN) were investigated. The results showed that NTP effectively decreased the total plate count (TPC), yeast and mould count (YMC) and Bacillus spp. in wheat flour. Wet gluten contents and the stability time reached the maximum when treated for 20 s. The viscosity of starch increased significantly after treatment due to the increased of damaged starch. The contents of secondary structure were altered to some extent, which was because that the ordered network structure of gluten protein broken. Furthermore, compared with the control, texture properties of FWN were enhanced significantly at 20 s, and the darkening rate of FWN was greatly inhibited due to the low polyphenol oxidase (PPO) activity. Consequently, the most suitable treatment was 500 W for 20 s, providing a basis for the application of NTP in flour products.