Generic mathematical programming formulation and solution for computer-aided molecular design

This short communication presents a generic mathematical programming formulation for computer-aided molecular design (CAMD). A given CAMD problem, based on target properties, is formulated as a mixed integer linear/non-linear program (MILP/MINLP). The mathematical programming model presented here, which is formulated as an MILP/MINLP problem, considers first-order and second-order molecular groups for molecular structure representation and property estimation. It is shown that various CAMD problems can be formulated and solved through this model.     

A novel fast distance relay for series compensated transmission lines

This paper presents a fast distance relay for series compensated transmission lines based on the R–L differential-equation algorithm using the theory of equal transfer process of transmission lines. The measuring distances based on the proposed algorithm can fast approach the actual value of fault distance when a fault occurs in front of the series capacitor. When a fault occurs behind of the series capacitor, the fault loop, including the series capacitor, does not match the R–L transmission line model, so the measuring distances fluctuate severely. Based on this, the relative position of the fault with respect to the series capacitor can be judged effectively according to the fluctuation range of the measuring distances, and the accurate fault location can be obtained fast. A variety of PSCAD/EMTDC simulation tests show that the new relay has fast operating speed and high accuracy when applied to the long series compensated transmission lines.     

A new numerical algorithm to check the observability and bad-data processing ability of the metering scheme

This paper provides a unified approach for the optimization of measurements placements employed for power system online monitoring through state estimation. The proposed methodology, which can be suitable for the mixed measure system, preserves state estimation observability and bad-data processing capability by employing numerical algorithms for observability checking, critical measurements and critical couple identification. First, node injection radix measurements and measurement categories are defined. According to the above definitions, the coefficient matrix can be solved. The analysis on the column vectors of the coefficient matrix can determine each measurement classification. Furthermore, the numbers of each measurement class contains can determine bad-data processing capability. The observability can be checked by the type number of measurements. The proposed method is illustrated with the IEEE39-bus system and the IEEE118-bus system. Results from the case studies are presented to demonstrate that the approach adequately fulfills the desired properties related to observability, bad-data processing, cost, and robustness.     

基于三维胞元空间的MA双向并行路由算法

针对传统移动代理(MA)在监测无线传感器网络(WSNs)的感兴趣信息时产生的延迟较大和能耗较多问题,提出了基于三维胞元空间的MA双向并行(3D-BPMA)路由算法.3D-BPMA将MA与传统的客户/服务器(c/S)模式相结合,在胞元内利用C/S模式搜集信息,在单层胞元系统和路由器与路由器之间采用MA双向并行的策略进行传输.仿真结果表明:3D-BPMA与LCF,DSG-MIP算法相比减少了平均响应时间和网络平均能耗,提高了MA发送率.     

Electronic structure and absolute band edge position of tetragonal AgInS2 photocatalyst: A hybrid density functional study

Energy bands, effective mass of carriers, absolute band edge positions and optical properties of tetragonal AgInS₂ were calculated using a first-principles approach with the exchange correlation described by B3LYP hybrid functional. The results indicate that tetragonal AgInS₂ has a direct band gap of 1.93 eV, which reproduce well experimental value. Calculated effective masses of electrons and holes are both small which are beneficial to separation and migration of electron and hole pairs. This implies that AgInS₂ has good photocatalytic performance. The calculated optical characteristics indicate that AgInS₂ has a slight anisotropy for both the real and imaginary parts of the dielectric function and exhibits large optical absorption in the visible light region. Furthermore, the calculated band edge positions in (100), (010) and (001) surfaces indicate that tetragonal AgInS₂ is beneficial to the reduction and oxidation of water to hydrogen and oxygen under visible light irradiation.     

以有机化学课程内容为引导，加强课程思政的探索与实践

有机化学是化学化工、材料、制药、食品等多个专业的基础课程,在其教学过程中,教师可以根据课程的内容及特点,分别以有机化学发展中的重大历史事件、有机化物的性质及有机反应为引导,开展学生的思想品德教育,加强课程思政建设。     

A hybrid knowledge and ensemble classification approach for prediction of venous thromboembolism

Clinical narratives such as progress summaries, lab reports, surgical reports, and other narrative texts contain key biomarkers about a patient's health. Evidence-based preventive medicine needs accurate semantic and sentiment analysis to extract and classify medical features as the input to appropriate machine learning classifiers. However, the traditional approach of using single classifiers is limited by the need for dimensionality reduction techniques, statistical feature correlation, a faster learning rate, and the lack of consideration of the semantic relations among features. Hence, extracting semantic and sentiment-based features from clinical text and combining multiple classifiers to create an ensemble intelligent system overcomes many limitations and provides a more robust prediction outcome. The selection of an appropriate approach and its interparameter dependency becomes key for the success of the ensemble method. This paper proposes a hybrid knowledge and ensemble learning framework for prediction of venous thromboembolism (VTE) diagnosis consisting of the following components: a VTE ontology, semantic extraction and sentiment assessment of risk factor framework, and an ensemble classifier. Therefore, a component-based analysis approach was adopted for evaluation using a data set of 250 clinical narratives where knowledge and ensemble achieved the following results with and without semantic extraction and sentiment assessment of risk factor, respectively: a precision of 81.8% and 62.9%, a recall of 81.8% and 57.6%, an F measure of 81.8% and 53.8%, and a receiving operating characteristic of 80.1% and 58.5% in identifying cases of VTE.     

Design of delayed reconfigurable manufacturing system based on part family grouping and machine selection

To improve the convertibility of reconfigurable manufacturing system (RMS), the concept of delayed reconfigurable manufacturing system (D-RMS) was proposed. RMS and D-RMS are both constructed around part family. However, D-RMS may suffer from ultra-long system problem with unacceptable idle machines using generic RMS part families. Besides, considering the complex basic system structure of D-RMS, machine selection of D-RMS should be addressed, including dedicated machine, flexible machine, and reconfigurable machine. Therefore, a system design method for D-RMS based on part family grouping and machine selection is proposed. Firstly, a part family grouping method is proposed for D-RMS that groups the parts with more former common operations into the same part family. The concept of longest relative position common operation subsequence (LPCS) is proposed. The similarity coefficient among the parts is calculated based on LPCS. The reciprocal value of the operation position of LPCS is adopted as the characteristic value. The average linkage clustering (ALC) algorithm is used to cluster the parts. Secondly, a machine selection method is proposed to complete the system design of D-RMS, including machine selection rules and the dividing point decision model. Finally, a case study is given to implement and verify the proposed system design method for D-RMS. The results show that the proposed system design method is effective, which can group parts with more former common operations into the same part family and select appropriate machine types.     

Secure lightweight password authenticated key exchange for heterogeneous wireless sensor networks

Several three-party password authenticated key exchange (3-PAKE) protocols have recently been proposed for heterogeneous wireless sensor networks (HWSN). These are efficient and designed to address security concerns in ad-hoc sensor network applications for a global Internet of Things framework, where a user may request access to sensitive information collected by resource-constrained sensors in clusters managed by gateway nodes. In this paper we first analyze three recently proposed 3-PAKE protocols and discuss their vulnerabilities. Then, based on Radio Frequency Identification technologies we propose a novel 3-PAKE protocol for HWSN applications, with two extensions for additional security features, that is provably secure, efficient and flexible.