Structure and folding of potato type II proteinase inhibitors: Circular permutation and intramolecular domain swapping

Potato type II serine proteinase inhibitors are proteins that consist of multiple sequence repeats, and exhibit a multidomain structure. The structural domains are circular permutations of the repeat sequence.. as a result or intramolecular domain swapping. Structural studies give indications for the origins of this folding behaviour, and the evolution of the inhibitor family.

Continuous-variable quantum-state sharing via quantum disentanglement

Quantum-state sharing is a protocol where perfect reconstruction of quantum states is achieved with incomplete or partial information in a multipartite quantum network. Quantum-state sharing allows for secure communication in a quantum network where partial information is lost or acquired by malicious parties. This protocol utilizes entanglement for the secret-state distribution and a class of quantum disentangling protocols for the state reconstruction. We demonstrate a quantum-state sharing protocol in which a tripartite entangled state is used to encode and distribute a secret state to three players. Any two of these players can collaborate to reconstruct the secret state, while individual players obtain no information. We investigate a number of quantum disentangling processes and experimentally demonstrate quantum-state reconstruction using two of these protocols. We experimentally measure a fidelity, averaged over all reconstruction permutations, of F=0.73 +/- 0.02. A result achievable only by using quantum resources.

Dynamic response: Real-time adaptation for music emotion

Music plays an enormous role in today's computer games; it serves to elicit emotion, generate interest and convey important information. Traditional gaming music is fixed at the event level, where tracks loop until a state change is triggered. This behaviour however does not reflect musically the in-game state between these events. We propose a dynamic music environment, where music tracks adjust in real-time to the emotion of the in-game state. We are looking to improve the affective response to symbolic music through the modification of structural and performative characteristics through the application of rule-based techniques. In this paper we undertake a multidiscipline approach, and present a series of primary music-emotion structural rules for implementation. The validity of these rules was tested in small study involving eleven participants, each listening to six permutations from two musical works. Preliminary results indicate that the environment was generally successful in influencing the emotion of the musical works for three of the intended four directions (happier, sadder & content/dreamier). Our secondary aim of establishing that the use of music-emotion rules, sourced predominantly from Western classical music, could be applied with comparable results to modern computer gaming music was also largely successfully.

Recovery of multiple amplitude levels from a DQPSK NRZ signal using a single Mach-Zehnder Interferometer

In this research the recovery of a DQPSK signal will be demonstrated using a single Mach-Zehnder Interferometer (MZI). By changing the phase delay in one of the arms it will be shown that different delays will produce different output levels. It will also be shown that with a certain level of phase shift the DQPSK signal can be converted into four different equally spaced optical power levels. With each decoded level representing one of the four possible bit permutations. By using this additional phase shift in one of the arms the number of MZIs required for decoding can be reduced from two to one.

An Effective Exact Algorithm for One Particular Case of the Travelling-Salesman Problem

The article presents the exact algorithm for solving one case of the job-scheduling problem for the case when the source matrix is ordered by rows.

Zolotarev's proof of Gauss reciprocity and Jacobi symbols

2000 Mathematics Subject Classification: Primary 11A15.

Non-manipulable domains for the Borda count

We characterize the preference domains on which the Borda count satises Arrow's "independence of irrelevant alternatives" condition. Under a weak richness condition, these domains are obtained by xing one preference ordering and including all its cyclic permutations ("Condorcet cycles"). We then ask on which domains the Borda count is non-manipulable. It turns out that it is non-manipulable on a broader class of domains when combined with appropriately chosen tie-breaking rules. On the other hand, we also prove that the rich domains on which the Borda count is non-manipulable for all possible tie-breaking rules are again the cyclic permutation domains.

Nash implementable domains for the Borda count

We characterize the preference domains on which the Borda count satisfies Maskin monotonicity. The basic concept is the notion of a "cyclic permutation domain" which arises by fixing one particular ordering of alternatives and including all its cyclic permutations. The cyclic permutation domains are exactly the maximal domains on which the Borda count is strategy-proof when combined with every possible tie breaking rule. It turns out that the Borda count is monotonic on a larger class of domains. We show that the maximal domains on which the Borda count satisfies Maskin monotonicity are the "cyclically nested permutation domains" which are obtained from the cyclic permutation domains in an appropriately specified recursive way. ------ *We thank József Mala for posing the question of Nash implementability on restricted domains that led to this research. We are very grateful to two anonymous referees and an associate editor for their helpful comments and suggestions. The second author gratefully acknowledges financial support from the Hungarian Academy of Sciences (MTA) through the Bolyai János research fellowship.

New methods for the asymmetric synthesis of α-alkylated ketones and 1,3-amino alcohols

A large number of optically active drugs and natural products contain α-functionalised ketones or simple derivatives thereof. Furthermore, chiral α-alkylated ketones are useful synthons and have found widespread use in total synthesis. The asymmetric alkylation of ketones represents one of the most powerful and longstanding procedures in organic chemistry. Surprisingly, however, only one effective methodology is available, and this involves the use of chiral auxiliaries. This is discussed in Chapter 1, which also provides a background of other key topics discussed throughout the thesis. Expanding on the existing methodology of chiral auxiliaries, Chapter 2 details the synthesis of a novel chiral auxiliary containing a pyrrolidine ring and its use in the asymmetric preparation of α-alkylated ketones with good enantioselectivity. The synthesis of racemic α-alkylated ketones as reference standards for GC chromatography is also reported in this chapter. Chapter 3 details a new approach to chiral α-alkylated ketones using an intermolecular chirality transfer methodology. This approach employs the use of simple non-chiral dimethylhydrazones and their asymmetric alkylation using the chiral diamine ligands, (+)- and (-)-sparteine. The methodology described represents the first example of an asymmetric alkylation of non-chiral azaenolates. Enantiomeric ratios up to 83 : 17 are observed. Chapter 4 introduces the first aldol-Tishchenko reaction of an imine derivative for the preparation of 1,3-aminoalcohol precursors. 1,3-Aminoalcohols can be synthesised via indirect routes involving various permutations of stepwise construction with asymmetric induction. Our approach offers an alternative highly diastereomeric route to the synthesis of this important moiety utilising N-tert-butanesulfinyl imines in an aldol-Tishchenko-type reaction. Chapter 5 details the experimental procedures for all of the above work. Chapter 6 discusses the results of a separate research project undertaken during this PhD. 2-alkyl-quinolin-4-ones and their N-substituted derivatives have several important biological functions such as the role of Pseudomonas quinolone signal (PQS) in quorum sensing. Herein, we report the synthesis of its biological precursor, 2-heptyl-4-hydroxy-quinoline (HHQ) and possible isosteres of PQS; the C-3 Cl, Br and I analogues. N-Methylation of the iodide was also feasible and the usefulness of this compound showcased in Pd-catalysed cross-coupling reactions, thus allowing access to a diverse set of biologically important molecules.

Designing and Developing Digital and Blended Learning Solutions

Chapter 6 concerns ‘Designing and developing digital and blended learning solutions’, however, despite its title, it is not aimed at developing L&D professionals to be technologists (in so much as how Chapter 3 is not aimed at developing L&D professionals to be accounting and financial experts). Chapter 6 is about developing L&D professionals to be technology savvy. In doing so, I adopt a culinary analogy in presenting this chapter, where the most important factors in creating a dish (e.g. blended learning), are the ingredients and the flavour each of it brings. The chapter first explores the typical technologies and technology products that are available for learning and development i.e. the ingredients. I then introduce the data Format, Interactivity/ Immersion, Timing, Content (creation and curation), Connectivity and Administration (FITCCA) framework, that helps L&D professionals to look beyond the labels of technologies in identifying what the technology offers, its functions and features, which is analogous to the ‘flavours’ of the ingredients. The next section discusses some multimedia principles that are important for L&D professionals to consider in designing and developing digital learning solutions. Finally, whilst there are innumerable permutations of blended learning, this section focuses on the typical emphasis in blended learning and how technology may support such blends.

A graph-based hyper heuristic for timetabling problems

This paper presents an investigation of a simple generic hyper-heuristic approach upon a set of widely used constructive heuristics (graph coloring heuristics) in timetabling. Within the hyperheuristic framework, a Tabu Search approach is employed to search for permutations of graph heuristics which are used for constructing timetables in exam and course timetabling problems. This underpins a multi-stage hyper-heuristic where the Tabu Search employs permutations upon a different number of graph heuristics in two stages. We study this graph-based hyper-heuristic approach within the context of exploring fundamental issues concerning the search space of the hyper-heuristic (the heuristic space) and the solution space. Such issues have not been addressed in other hyper-heuristic research. These approaches are tested on both exam and course benchmark timetabling problems and are compared with the fine-tuned bespoke state-of-the-art approaches. The results are within the range of the best results reported in the literature. The approach described here represents a significantly more generally applicable approach than the current state of the art in the literature. Future work will extend this hyper-heuristic framework by employing methodologies which are applicable on a wider range of timetabling and scheduling problems.

Hybrid Variable Neighborhood HyperHeuristics for Exam Timetabling Problems

This paper presents our work on analysing the high level search within a graph based hyperheuristic. The graph based hyperheuristic solves the problem at a higher level by searching through permutations of graph heuristics rather than the actual solutions. The heuristic permutations are then used to construct the solutions. Variable Neighborhood Search, Steepest Descent, Iterated Local Search and Tabu Search are compared. An analysis of their performance within the high level search space of heuristics is also carried out. Experimental results on benchmark exam timetabling problems demonstrate the simplicity and efficiency of this hyperheuristic approach. They also indicate that the choice of the high level search methodology is not crucial and the high level search should explore the heuristic search space as widely as possible within a limited searching time. This simple and general graph based hyperheuristic may be applied to a range of timetabling and optimisation problems.

A graph-based hyper heuristic for timetabling problems

This paper presents an investigation of a simple generic hyper-heuristic approach upon a set of widely used constructive heuristics (graph coloring heuristics) in timetabling. Within the hyperheuristic framework, a Tabu Search approach is employed to search for permutations of graph heuristics which are used for constructing timetables in exam and course timetabling problems. This underpins a multi-stage hyper-heuristic where the Tabu Search employs permutations upon a different number of graph heuristics in two stages. We study this graph-based hyper-heuristic approach within the context of exploring fundamental issues concerning the search space of the hyper-heuristic (the heuristic space) and the solution space. Such issues have not been addressed in other hyper-heuristic research. These approaches are tested on both exam and course benchmark timetabling problems and are compared with the fine-tuned bespoke state-of-the-art approaches. The results are within the range of the best results reported in the literature. The approach described here represents a significantly more generally applicable approach than the current state of the art in the literature. Future work will extend this hyper-heuristic framework by employing methodologies which are applicable on a wider range of timetabling and scheduling problems.

Hybrid Variable Neighborhood HyperHeuristics for Exam Timetabling Problems

This paper presents our work on analysing the high level search within a graph based hyperheuristic. The graph based hyperheuristic solves the problem at a higher level by searching through permutations of graph heuristics rather than the actual solutions. The heuristic permutations are then used to construct the solutions. Variable Neighborhood Search, Steepest Descent, Iterated Local Search and Tabu Search are compared. An analysis of their performance within the high level search space of heuristics is also carried out. Experimental results on benchmark exam timetabling problems demonstrate the simplicity and efficiency of this hyperheuristic approach. They also indicate that the choice of the high level search methodology is not crucial and the high level search should explore the heuristic search space as widely as possible within a limited searching time. This simple and general graph based hyperheuristic may be applied to a range of timetabling and optimisation problems.

An Indirect Genetic Algorithm for Set Covering Problems

This paper presents a new type of genetic algorithm for the set covering problem. It differs from previous evolutionary approaches first because it is an indirect algorithm, i.e. the actual solutions are found by an external decoder function. The genetic algorithm itself provides this decoder with permutations of the solution variables and other parameters. Second, it will be shown that results can be further improved by adding another indirect optimisation layer. The decoder will not directly seek out low cost solutions but instead aims for good exploitable solutions. These are then post optimised by another hill-climbing algorithm. Although seemingly more complicated, we will show that this three-stage approach has advantages in terms of solution quality, speed and adaptability to new types of problems over more direct approaches. Extensive computational results are presented and compared to the latest evolutionary and other heuristic approaches to the same data instances.