Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach

Metallohydrolases form a large group of enzymes that have fundamental importance in a broad range of biological functions. Among them, the purple acid phosphatases (PAPs) have gained attention due to their crucial role in the acquisition and use of phosphate by plants and also as a promising target for novel treatments of bone-related disorders and cancer. To date, no crystal structure of a mammalian PAP with drug-like molecules bound near the active site is available. Herein, we used a fragment-based design approach using structures of a mammalian PAP in complex with the Maybridge^TM fragment CC063346, the amino acid L-glutamine and the buffer molecule HEPES, as well as various solvent molecules to guide the design of highly potent and efficient mammalian PAP inhibitors. These inhibitors have improved aqueous solubility when compared to the clinically most promising PAP inhibitors available to date. Furthermore, drug-like fragments bound in newly discovered binding sites mapped out additional scaffolds for further inhibitor discovery, as well as scaffolds for the design of inhibitors with novel modes of action.     

基于PMU的电力系统监控体系结构优化设计

文中提出了一种利用有限数量的相量测量单元(PMU)和相量数据集中器(PDC)设计最优监控结构的方法。通过在大量的设定值场景下,使电力系统可观测性曲线的期望值最大化,同时使通信基础设施成本最小化,最终确定PMU和PDC的最佳位置。提出了一种非线性动态扩展卡尔曼滤波(EFK)状态观测器。这种状态观测器可以将暂态行为转换为由代数微分方程描述的广域电力系统,而无需非线性反演技术。最后以IEEE-5电力系统为例,说明了该方法的有效性。     

自重湿陷性黄土地基预钻孔浸水处理的可靠度设计方法

为解决传统预浸水法存在的浸水时间长、浸水处理范围难以确定等不足,基于土体中水分运移规律,依据可靠度理论、极限状态设计方法及复合 Poisson 过程原理,提出一种消除黄土湿陷性的处理浸水方法——预钻孔浸水法。给出了利用预钻孔浸水法对自重湿陷性黄土地基进行浸水时,水平向及竖直向浸水影响范围的确定模型;在此基础上结合达西定律给出了浸水孔设计参数如孔深、孔间距及浸水孔个数的确定方法。结合铜川某工程,设计进行了现场预钻孔浸水试验,对该方法的合理性进行了验证,并通过现场钻探、现场勘探、室内湿陷性试验等方法对该方法的处理效果进行了评价。该浸水方法具有浸水时间短、浸水影响范围可根据浸水孔布设进行控制等优点,且浸水处理效果良好,完全符合施工要求。     

智能电网中D2D网络的通信资源管理优化方案

当前在智能电网的应用中,各种智能终端的使用,使得移动数据流量空前增长,电力互联方式在面临海量数据传输的需求时,由于资源受限,信道间会产生一定的干扰,从而影响通信质量。为了解决通信资源管理这一问题,与常见的移动边缘计算(MEC)方法不同,文中提出了一种网络资源分配方法,优化链路选择和子信道分配,以实现能量效率的最大化。仿真结果表明,与没有卸载和部分优化的方法相比,此方法在能效方面有了很大的提高。     

An optimal configuration for hybrid SOFC,gas turbine,and Proton Exchange Membrane Electrolyzer using a developed Aquila Optimizer

In this research, a technical, economic and environmental analysis has been proposed to a Hybrid Solid Oxide Fuel Cell (SOFC) system-based hybrid system including biomass, gas turbine, and Proton Exchange Membrane Electrolyzer. A multi-objective optimization technique has been utilized to improve the overall product cost and the exergy effectiveness based on a developed version of Aquila Optimizer (DAO). The main idea of using the developed version is to improve the accuracy and the precision of the original Aquila optimizer. The system is then authenticated in terms of energy/exergy effectiveness, and energy-economic efficiency. The achievements indicate that employing the optimization algorithm for different configurations provided satisfying results for the system.     

Frequency response data-based peak filter design applied to MIMO large-scale high-precision scan stage

A large-scale high-precision scan stage is important equipment in the industrial productions of micro-fabrication such as flat panel display (FPD) lithography systems. Designing controllers for multi-input multi-output (MIMO) systems is time-consuming and needs experience because of the interaction between each axis and many controller tuning parameters. The aim of this study is to develop a peak filter design method based on frequency response data to reduce repetitive disturbance. This data-based approach does not use the model and only uses the frequency response data of the controlled system and the disturbance spectrum calculated from the scanning error data (Contribution 1). The peak filter is designed by convex optimization and satisfies robust stability conditions for six-degree-of-freedom systems (Contribution 2). The control performance of the designed peak filter is experimentally demonstrated with an industrial MIMO large-scale high-precision scan stage in reducing the scanning error of the main stroke of the translation along the $x$-axis (Contribution 3).     

Display illumination with modulated directional backlight

Illumination is essential for modern life as colorful world is perceived by human visionary system. Display technology has been developing rapidly in recent decades, and the basic principle is related to the way that the image is illuminated and light is emanated. Traditional illumination is provided by different types of light sources, and the display image is visible in large viewing space until the emanating light decays to zero. This work proposes and demonstrates a novel illumination scheme for a display in which the displaying images are visible only in specific spatial regions. The directional backlight ensures the image propagating to specific direction while imaging visibility can be controlled to terminate abruptly at certain distance from the display screen while exerting no influence to nearby regions. The working principle for such an illumination scheme is the use of the modulated coherent directional backlight through an axicon lens. It is shown that the illumination scheme can robustly deliver carried image information to the designated viewing region. This new illumination scheme has many advantages over conventional illumination, including its usage for personal display, very lower energy consumption, as well as minimizing light hazard pollution.     

Parameter study for dimensioning of a PV optimized hydrogen supply plant

Green hydrogen produced from intermittent renewable energy sources is a key component on the way to a carbon neutral planet. In order to achieve the most sustainable, efficient and cost-effective solutions, it is necessary to match the dimensioning of the renewable energy source, the capacity of the hydrogen production and the size of the hydrogen storage to the hydrogen demand of the application.For optimized dimensioning of a PV powered hydrogen production system, fulfilling a specific hydrogen demand, a detailed plant simulation model has been developed. In this study the model was used to conduct a parameter study to optimize a plant that should serve 5 hydrogen fuel cell buses with a daily hydrogen demand of 90 kg overall with photovoltaics (PV) as renewable energy source. Furthermore, the influence of the parameters PV system size, electrolyser capacity and hydrogen storage size on the hydrogen production costs and other key indicators is investigated. The plant primarily uses the PV produced energy but can also use grid energy for production.The results show that the most cost-efficient design primarily depends on the grid electricity price that is available to supplement the PV system if necessary. Higher grid electricity prices make it economically sensible to invest into higher hydrogen production and storage capacity. For a grid electricity price of 200 €/MWh the most cost-efficient design was found to be a plant with a 2000 kWp PV system, an electrolyser with 360 kW capacity and a hydrogen storage of 575 kg.     

Pattern design and optimization of yarn-dyed plaid fabric using isolation niche genetic algorithm and rough set theory

Under the circumstance of perceptual consumption, it is still challenging to grasp consumer's emotions and demands due to the large search space, diversified preferences, and easy fatigue of consumers. To reduce user fatigue and enlarge search space, a novel method was presented to design and optimize the pattern of yarn-dyed plaid fabric using the isolation niche genetic algorithm and rough set theory. Each pattern was encoded as a chromosome based on the real number code. The population was initialized and evolved using INGA to maintain the diversity. The rough set theory was adopted as the fitness function of isolation niche genetic algorithm to extract the consumer's demands. After multiple evolutions, a large set of practical patterns of the yarn-dyed plaid fabric are obtained. Experiments were carried out by 24 testers of different ages and genders. The results prove that the proposed method based on the isolation niche genetic algorithm and rough set theory is feasible and effective, supplying references to the designer.