Computer-aided design, synthesis and screening of potential anti-microbial compounds

The work presented in this thesis falls into three main categories: The design and synthesis of potential anti-tuberculosis drugs targeting a mycobacterial esterase and the enzyme dUTPase; synthesis and anti-microbial SAR studies on a set of carboxamidrazones; synthesis and anti-microbial SAR studies on a set of thiosem icarbazones.

Computer simulation for tube-making by the cold roll-forming process

The conventional design of forming rolls depends heavily on the individual skill of roll designers which is based on intuition and knowledge gained from previous work. Roll design is normally a trial an error procedure, however with the progress of computer technology, CAD/CAM systems for the cold roll-forming industry have been developed. Generally, however, these CAD systems can only provide a flower pattern based on the knowledge obtained from previously successful flower patterns. In the production of ERW (Electric Resistance Welded) tube and pipe, the need for a theoretical simulation of the roll-forming process, which can not only predict the occurrence of the edge buckling but also obtain the optimum forming condition, has been recognised. A new simulation system named "CADFORM" has been devised that can carry out the consistent forming simulation for this tube-making process. The CADFORM system applied an elastic-plastic stress-strain analysis and evaluate edge buckling by using a simplified model of the forming process. The results can also be visualised graphically. The calculated longitudinal strain is obtained by considering the deformation of lateral elements and takes into account the reduction in strains due to the fin-pass roll. These calculated strains correspond quite well with the experimental results. Using the calculated strains, the stresses in the strip can be estimated. The addition of the fin-pass roll reduction significantly reduces the longitudinal compressive stress and therefore effectively suppresses edge buckling. If the calculated longitudinal stress is controlled, by altering the forming flower pattern so it does not exceed the buckling stress within the material, then the occurrence of edge buckling can be avoided. CADFORM predicts the occurrence of edge buckling of the strip in tube-making and uses this information to suggest an appropriate flower pattern and forming conditions which will suppress the occurrence of the edge buckling.

Computer methods for the heat conduction equation

The merits of various numerical methods for the solution of the one and two dimensional heat conduction equation with a radiation boundary condition have been examined from a practical standpoint in order to determine accuracies and efficiencies. It is found that the use of five increments to approximate the space derivatives gives sufficiently accurate results provided the time step is not too large; further, the implicit backward difference method of Liebmann (27) is found to be the most accurate method. On this basis, a new implicit method is proposed for the solution of the three-dimensional heat conduction equation with radiation boundary conditions. The accuracies of the integral and analogue computer methods are also investigated.

The multiple pheromone ant clustering algorithm and its application to real world domains

The Multiple Pheromone Ant Clustering Algorithm (MPACA) models the collective behaviour of ants to find clusters in data and to assign objects to the most appropriate class. It is an ant colony optimisation approach that uses pheromones to mark paths linking objects that are similar and potentially members of the same cluster or class. Its novelty is in the way it uses separate pheromones for each descriptive attribute of the object rather than a single pheromone representing the whole object. Ants that encounter other ants frequently enough can combine the attribute values they are detecting, which enables the MPACA to learn influential variable interactions. This paper applies the model to real-world data from two domains. One is logistics, focusing on resource allocation rather than the more traditional vehicle-routing problem. The other is mental-health risk assessment. The task for the MPACA in each domain was to predict class membership where the classes for the logistics domain were the levels of demand on haulage company resources and the mental-health classes were levels of suicide risk. Results on these noisy real-world data were promising, demonstrating the ability of the MPACA to find patterns in the data with accuracy comparable to more traditional linear regression models. © 2013 Polish Information Processing Society.

Designing a mobile diet diary application with and for older adults with AMD:a case ctudy

Age-Related Macular Degeneration (AMD) is the UK’s leading cause of severe visual impairment amongst the elderly. It accounts for 16,000 blind/partial sight registrations per year and is the leading cause of blindness among people aged 55 years and older in western countries (Bressler, 2004). Our research aims to design and develop a self-monitoring, ability-reactive technology (SMART) for users with AMD to support their dietary-based AMD risk mitigation and progression retardation over time. In this paper, we reflect on our experience of adapting and applying a participatory design (PD) approach to support the effective design of our application with and for older adults with AMD. We introduce the outcome of a series of PD sessions with older adults with AMD - that is, a paper prototype of our proposed application which focuses on accessibility for our target users - and discuss implications for the eventual prototype development

Older adults with AMD as co-designers of an assistive mobile application

In the UK, 20% of people aged 75 years and over are living with sight loss and age-related macular degeneration (AMD) is the most common cause of sight loss in the UK, impacting nearly 10% of those over 80; regrettably, these fgures are expected to increase in coming decades as the population ages (RNIB, 2012). This paper reports on the authors' design activities conducted for the purpose of informing the development of an assistive self-monitoring, ability-reactive technology (SMART) for older adults with AMD. The authors refect on their experience of adopting and adapting the PICTIVE (Plastic Interface for Collaborative Technology Initiatives through Video Exploration) participatory design approach (Muller, 1992) to support effective design with and for their special needs user group, refect on participants' views of being part of the process, and discuss the design themes identifed via their PD activities.

Quality Measurement of Business Web Application

With the development of the Internet culture applications are becoming simpler and simpler, users need less IT knowledge than earlier; from the ‘reader’ status they have reached that of the content creator and editor. In our days, the effects of the web are becoming stronger and stronger— computer-aided work is conventional almost everywhere. The spread of the Internet applications has several reasons: first of all, their accessibility is widespread; second, their use is not limited to only one computer or network on which they have been installed. Also, the quantity of accessible information now and earlier is not even comparable. Not counting the applications which need high broadband or high counting capacity (for example video editing), Internet applications are reaching the functionality of the thick clients associates. The most serious disadvantage of Internet applications – for security reasons — is that the resources of the client computer are not fully accessible or accessible only to a restricted extent. Still thick clients do have some advantages: better multimedia perdormance with more flexibility due to local resources and the possibility for offline working.

Computer Processing of Medieval Slavic Sources in the Institute of Literature at BAS Repertorium Project (1994–2004)

Mixed-content miscellanies (very frequent in the Byzantine and mediaeval Slavic written heritage) are usually defined as collections of works with non-occupational, non-liturgical application, and texts in them are selected and arranged according to no identifiable principle. It is a “readable” type of miscellanies which were compiled mainly on the basis of the cognitive interests of compilers and readers. Just like the occupational ones, they also appeared to satisfy public needs but were intended for individual usage. My textological comparison had shown that mixed- content miscellanies often showed evidence of a stable content – some of them include the same constituent works in the same order, regardless that the manuscripts had no obvious genetic relationship. These correspondences were sufficiently numerous and distinctive that they could not be merely fortuitous, and the only sensible interpretation was that even when the operative organizational principle was not based on independently identifiable criteria, such as the church calendar, liturgical function, or thematic considerations, mixed-content miscellanies (or, at least, portions of their contents) nonetheless fell into types. In this respect, the apparent free selection and arrangement of texts in mixed-content miscellanies turns out to be illusory. The problem was – as the corpus of manuscripts that I and my colleagues needed to examine grew – our ability to keep track of the structure of each one, and to identify structural correspondences among manuscripts within the corpus, diminished. So, at the end of 1993 I addressed a letter to Prof. David Birnbaum (University of Pittsburgh, PA) with a request to help me to solve the problem. He and my colleague Andrey Boyadzhiev (Sofia University) pointed out to me that computers are well suited to recording, processing, and analyzing large amounts of data, and to identifying patterns within the data, and their proposal was that we try to develop a computer system for description of manuscripts, for their analysis and of course, for searching the data. Our collaboration in this project is now ten years old, and our talk today presents an overview of that collaboration.

Study of the Application of Neural Networks in Internet Traffic Engineering

In this study, we showed various approachs implemented in Artificial Neural Networks for network resources management and Internet congestion control. Through a training process, Neural Networks can determine nonlinear relationships in a data set by associating the corresponding outputs to input patterns. Therefore, the application of these networks to Traffic Engineering can help achieve its general objective: “intelligent” agents or systems capable of adapting dataflow according to available resources. In this article, we analyze the opportunity and feasibility to apply Artificial Neural Networks to a number of tasks related to Traffic Engineering. In previous sections, we present the basics of each one of these disciplines, which are associated to Artificial Intelligence and Computer Networks respectively.

An efficient screening method for computer experiments

Computer simulators of real-world processes are often computationally expensive and require many inputs. The problem of the computational expense can be handled using emulation technology; however, highly multidimensional input spaces may require more simulator runs to train and validate the emulator. We aim to reduce the dimensionality of the problem by screening the simulators inputs for nonlinear effects on the output rather than distinguishing between negligible and active effects. Our proposed method is built upon the elementary effects (EE) method for screening and uses a threshold value to separate the inputs with linear and nonlinear effects. The technique is simple to implement and acts in a sequential way to keep the number of simulator runs down to a minimum, while identifying the inputs that have nonlinear effects. The algorithm is applied on a set of simulated examples and a rabies disease simulator where we observe run savings ranging between 28% and 63% compared with the batch EE method. Supplementary materials for this article are available online.

Application of Fuzzy Logic on Image Edge Detection

In this paper a novel method for an application of digital image processing, Edge Detection is developed. The contemporary Fuzzy logic, a key concept of artificial intelligence helps to implement the fuzzy relative pixel value algorithms and helps to find and highlight all the edges associated with an image by checking the relative pixel values and thus provides an algorithm to abridge the concepts of digital image processing and artificial intelligence. Exhaustive scanning of an image using the windowing technique takes place which is subjected to a set of fuzzy conditions for the comparison of pixel values with adjacent pixels to check the pixel magnitude gradient in the window. After the testing of fuzzy conditions the appropriate values are allocated to the pixels in the window under testing to provide an image highlighted with all the associated edges.

A Computer-Based Strategy for Practical Skills Teaching

An adaptive learning technology embedded in e-learning environments ensures choice of the structure, content, and activities for each individual learner according to the teaching team’s domain and didactic knowledge and skills. In this paper a computer-based scenario for application of an adaptive navigation technology is proposed and demonstrated on an example course topic.

Comparing interaction techniques for serious games through brain-computer interfaces:a user perception evaluation study

This paper examines the application of commercial and non-invasive electroencephalography (EEG)-based brain-computer (BCIs) interfaces with serious games. Two different EEG-based BCI devices were used to fully control the same serious game. The first device (NeuroSky MindSet) uses only a single dry electrode and requires no calibration. The second device (Emotiv EPOC) uses 14 wet sensors requiring additional training of a classifier. User testing was performed on both devices with sixty-two participants measuring the player experience as well as key aspects of serious games, primarily learnability, satisfaction, performance and effort. Recorded feedback indicates that the current state of BCIs can be used in the future as alternative game interfaces after familiarisation and in some cases calibration. Comparative analysis showed significant differences between the two devices. The first device provides more satisfaction to the players whereas the second device is more effective in terms of adaptation and interaction with the serious game.

One Application of the Informatics in the Descriptive Geometry

This work acquaints with a program for interactive computer training to students on the subject "Mutual intersecting of pyramids in axonometry ”. Our software is a set of three modules, which we call "student", "teacher" and "autopilot". It gives the final solution of the problem, the traceability of various significant moments in its solution and 3D-image of the finished composition of the two intersecting polyhedra, stripped of the working lines and subjected to rotation and translation.