Designing of multi-targeted molecules using combination of molecular screening and in silico drug cardiotoxicity prediction approaches

We have previously investigated and reported a set of phenol- and indole-based derivatives at the binding pockets of carbonic anhydrase isoenzymes using in silico and in vitro analyses. In this study, we extended our analysis to explore multi-targeted molecules from this set of compounds. Thus, 26 ligands are screened at the binding sites of 229 proteins from 5 main enzyme family classes using molecular docking algorithms. Derived docking scores are compared with reported results of ligands at carbonic anhydrase I and II isoenzymes. Results showed potency of multi-targeted drugs of a few compounds from investigated ligand set. These promising ligands are then tested in silico for their cardiotoxicity risks. Results of this work can be used to improve the desired effects of these compounds by molecular engineering studies. In addition these results may lead to further investigation of studied molecules by medicinal chemists to explore different therapeutic aims.     

Dynamic security contingency screening and ranking using neuralnetworks

This paper summarizes BC Hydro's experience in applying neural networks to dynamic security contingency screening and ranking. The idea is to use the information on the prevailing operating condition and directly provide contingency screening and ranking using a trained neural network. To train the two neural networks for the large scale systems of BC Hydro and Hydro Quebec, in total 1691 detailed transient stability simulation were conducted, 1158 for BC Hydro system and 533 for the Hydro Quebec system. The simulation program was equipped with the energy margin calculation module (second kick) to measure the energy margin in each run. The first set of results showed poor performance for the neural networks in assessing the dynamic security. However a number of corrective measures improved the results significantly. These corrective measures included: 1) the effectiveness of output; 2) the number of outputs; 3) the type of features (static versus dynamic); 4) the number of features; 5) system partitioning; and 6) the ratio of training samples to features. The final results obtained using the large scale systems of BC Hydro and Hydro Quebec demonstrates a good potential for neural network in dynamic security assessment contingency screening and ranking.     

功能性近红外光谱系统及锁相放大器算法的研究

功能性近红外光谱技术是一种新兴的非侵入式光学技术,该技术可以测量脑皮层的功能性活动信息;介绍了单通道fNIRS系统的开发,为了验证系统的性能,2人参与了算数运算任务,获得了氧合血红蛋白和脱氧血红蛋白的浓度变化;锁相放大器在fNIRS系统中可以很好地提取淹没在噪声中微弱的光强信号,但是模拟锁相放大器价格昂贵,对多通道系统来说是很大的负担;设计了数字锁相放大器算法,通过与模拟锁相进行比较,结果表明设计的数字锁相放大器可以取代价格昂贵的模拟锁相放大器。     

用SVM和FFT对膜蛋白功能分类

膜蛋白在细胞生命活动中扮演着重要的角色。目前,有很多方法用来预测和分类膜转运蛋白。然而,预测膜蛋白功能的工作并不多。为了解决这个问题,基于蛋白质序列信息结合快速傅里叶变换利用支持向量机的方法预测来自TCDB 数据库中的channels/pores,electrochemical potential-driven transporters和primary active transporters三类膜转运蛋白共1 817条蛋白质的功能。模型使用20种氨基酸的分布,残基的疏水性、平均极性和溶剂化自由能为原始的特征数据,利用快速傅里叶变换将其转化为频域上的信息作为机器学习的特征输入。通过五倍交叉检验预测准确率达到了72.1%,而先前的文献报道的准确率为68.1%。论文的研究证明该方法可以有效地对channels/pores,electrochemical potential-driven transporters和primary active transporters 三种不同功能的膜转运蛋白进行功能分类。     

CAD系统设计中的形式化方法与功能命题

本文结合作者多年的研究实践,对CAD系统功能设计理论和方法进行研究,并在此基础上提出和建立CAD系统功能设计的数学模型,其中包括：(1)介绍需求分析的形式化描述和表示方法,建立需求空间结构;(2)提出复合功能、设计逻辑、功能与参数依赖及交互效率等新概念,并分别建构复合功能的构造和效率命题;(3)阐述这些理论和方法在自行开发的专业化系统中的应用。     

An integrated framework of learning and evidential reasoning for user profiling using short texts

Inferring user profiles based on texts created by users on social networks has a variety of applications in recommender systems such as job offering, item recommendation, and targeted advertisement. The problem becomes more challenging when working with short texts like tweets on Twitter, or posts on Facebook. This work aims at proposing an integrated framework based on Dempster–Shafer theory of evidence, word embedding, and $k$-means clustering for user profiling problem, which is capable of not only working well with short texts but also dealing with uncertainty inherently in user texts. The proposed framework is essentially composed of three phases: (1) Learning abstract concepts at multiple levels of abstraction from user corpora; (2) Evidential inference and combination for user modeling; and (3) User profile extraction. Particularly, in the first phase, a word embedding technique is used to convert preprocessed texts into vectors which capture semantics of words in user corpus, and then $k$-means clustering is utilized for learning abstract concepts at multiple levels of abstraction, each of which reflects appropriate semantics of user profiles. In the second phase, by considering each document in user corpus as an evidential source that carries some partial information for inferring user profiles, we first infer a mass function associated with each user document by maximum a posterior estimation, and then apply Dempster’s rule of combination for fusing all documents’ mass functions into an overall one for the user corpus. Finally, in the third phase, we apply the so-called pignistic probability principle to extract top-$n$ keywords from user’s overall mass function to define the user profile. Thanks to the ability of combining pieces of information from many documents, the proposed framework is flexible enough to be scaled when input data coming from not only multiple modes but different sources on web environments. Besides, the resulting profiles are interpretable, visualizable, and compatible in practical applications. The effectiveness of the proposed framework is validated by experimental studies conducted on datasets crawled from Twitter and Facebook.     

从Web功能分析监狱警察学习体系

网络教育的应用范围越来越广泛,在监狱警察的学习过程中也是一个重要的途径。本论文简介了体系构建技术和工具概述,包括B/S模式、Web数据库等内容,然后详细地对网络教育及其实时体系进行了设计。     

A unified sample preparation protocol for proteomic and genomic profiling of cervical swabs to identify biomarkers for cervical cancer screening

Cervical cancer screening is ideally suited for the development of biomarkers due to the ease of tissue acquisition and the well-established histological transitions. Furthermore, cell and biologic fluid obtained from cervix samples undergo specific molecular changes that can be profiled. However, the ideal manner and techniques for preparing cervical samples remains to be determined. To address this critical issue a patient screening protein and nucleic acid collection protocol was established. RNAlater was used to collect the samples followed by proteomic methods to identify proteins that were differentially expressed in normal cervical epithelial versus cervical cancer cells. Three hundred ninety spots were identified via 2-D DIGE that were expressed at either higher or lower levels (>three-fold) in cervical cancer samples. These proteomic results were compared to genes in a cDNA microarray analysis of microdissected neoplastic cervical specimens to identify overlapping patterns of expression. The most frequent pathways represented by the combined dataset were: cell cycle: G2/M DNA damage checkpoint regulation; aryl hydrocarbon receptor signaling; p53 signaling; cell cycle: G1/S checkpoint regulation; and the ER stress pathway. HNRPA2B1 was identified as a biomarker candidate with increased expression in cancer compared to normal cervix and validated by Western blot.     

人力资源决策系统功能分析及算法设计

系统提供人力资源辅助决策功能.决策要能从数据库中分析出人员流动的一般规律,对人员的补充以及晋升做出比较可靠的预测.     

数字化功能样机系统及在汽车设计中的应用

数字化功能样机( Functional Virtual Prototyping,FVP)技术是在CAD/ CAM/ CAE技术和虚拟样机(Virtual Prototype,VP)技术基础上发展起来的,并综合了近些年取得突破性进展的多领域物理系统(Multi-domain Physical System,MPS)建模与仿真技术,针对整个产品性能进行优化设计,是基于系统的优化设计,能通过虚拟试验精确、快捷地预测产品整机性能.对于汽车这样的多领域综合、复杂机-电-液-控产品,尤其适合采用数字化功能样机技术进行设计分析.该文介绍数字化功能样机系统研究开发的背景及数字化功能样机技术的发展状况与趋势,以及基于数字化功能样机系统进行汽车设计分析系统开发的情况.     

相控阵雷达系统功能仿真及应用

在国土防空预警网优化问题的研究中,相控阵雷达具有频率捷变等特点和多目标跟踪能力,是构成国土防空预警网的重要组成部分.以雷达组网、组网雷达资源管理及相关算法测试为背景,嵌入到雷达组网仿真平台中并获得实测数据,提供了一种相控阵雷达功能仿真方法,重点讨论了波位编排、目标检测和相控阵雷达的任务调度算法等模块的实现.最后仿真系统对三个普通目标以及一个隐身目标在雷达扫描空域的搜索、验证、跟踪、失跟等雷达事件进行了仿真结果分析,验证了相控阵雷达系统和相关算法的有效性.     

功能性纺织品开发仿真系统的分析与构建

为了分析和评估服装的热舒适性以及着装人体的物理、生理和心理特性并预测由服装、人体、环境三者形成的系统综合作用下的动态人体热湿舒适性感觉,本文提出一个针对该领域的仿真系统框架。该仿真框架包括一个交互性的预处理界面,一个用于描述人体、服装和环境相互作用的数学模型以及一套可视化的后处理工具。     

基于功能安全的轨道车辆网络控制系统设计研究

随着复兴号列车的大量开行以及自动运行的轨道交通系统的大量运用,列车的电子电气系统愈加复杂,而EN5012X系列标准旨在有效保障愈加复杂的轨道车辆电子电气系统的功能安全性。按照EN5012X系列标准的要求,通过建立完善的过程体系以满足轨道车辆网络控制系统功能安全要求,然后阐述了基于危害评估与风险分析的评估方法,通过该方法确定了轨道车辆网络控制系统的安全功能,并在此基础上展开了轨道车辆网络控制系统的系统设计,最后给出了轨道车辆网络控制系统的设计方案,并最终保证轨道车辆网络控制系统的设计能够达到EN5012X系列标准功能安全的要求。     

预测函数控制及其在三容水箱中的应用

介绍和分析了预测函数控制方法,将基于前馈补偿解耦的多变量预测函数控制算法应用到三容水箱液位控制系统中。采用该方法对三容水箱液位控制系统进行了控制系统设计和仿真研究,仿真结果表明,该方法是一种计算简单、鲁棒性强、抑制干扰能力好、控制精度高的十分有效的控制方法。     

一种电源系统冗余设计方案及其功能测试的方法

以某核电厂的核岛三废处理控制系统(KSN)设计为例,介绍了其电源系统的冗余与容错技术及其测试方法。由于电源系统承担了向各种控制设备提供工作电源的任务,一旦电源发生故障,将使整个系统瘫痪,造成严重后果。因此,KSN系统对电源系统采用了冗余设计,从而提高了系统的可靠性,降低了部件的失效率,提高了整个系统的平均无故障时间(MTBF)。要达到以上的效果,必须通过测试对其冗余功能进行验证。通过在其功能测试过程中的研究,得出了一种思路清晰、测试内容覆盖面广的测试方法,具有一定的使用推广价值。     

高校多媒体设备管理系统功能设计

随着智慧化校园的推广应用,很多高校多媒体设备的信息化管理有了"落后"的现象。构建一款多媒设备管理系统可以有效地推动高校内部各部门、各信息子系统之间的数据共享,打破"信息孤岛"的局面;此外,该系统要在设备管理上体现经济性、准确性、时效性、结构性和交互性特点。基于此,笔者对系统的开发提出了一套功能设计方案,从当前的应用需求、技术层面、结构设计、功能描述、系统测试项5方面阐述了多媒体系统建设的具体要点及事项。     

预测函数控制及其在三容水箱中的应用

介绍和分析了预测函数控制方法,将基于前馈补偿解耦的多变量预测函数控制算法应用到三容水箱液位控制系统中.采用该方法对三容水箱液位控制系统进行了控制系统设计和仿真研究,仿真结果表明,该方法是一种计算简单、鲁棒性强、抑制干扰能力好、控制精度高的十分有效的控制方法.     

基于预测函数控制算法的水槽液位控制系统

设计了一种用于实验室的常规仪表与计算机相结合的水槽液位控制系统，并论述了其组成原理与系统设计。水槽液位系统广义对象采用一阶惯性加纯滞后来近似等效，考虑到其时间常数和滞后时间都比较大，故采用鲁棒性强、易于工程实施的预测函数控制策略，并通过“组态王”建立先进控制系统。实验结果表明预测函数控制方法是一种计算简单、抑制干扰能力强、跟踪性能好、误差较小的有效的控制方法。     

S7HP型发射机操作演练系统的功能设计

为了提高机房人员对S7HP型发射机的日常操作能力和应急故障处置能力,设计一个发射机操作演练系统是十分必要的.本文提出了S7HP型发射机操作演练系统的功能设计方案,对S7HP型发射机操作演练系统的界面设计、程序设计和各个模拟操作演练提出了具体方案.通过本操作演练系统可基本满足机房人员的日常操作演练需要,也可实现机房人员学...