VictorJuiz/thesis huggingface dataset:
Anion-templated synthesis of functional interlocked architectures

This thesis explores the use of anions in the design and construction of interlocked architectures for applications in anion recognition and sensing, and to function as molecular machines upon a given stimulus.
Chapter One introduces the field of anionic supramolecular chemistry focusing on host-guest chemistry and directed self-assembly. A review of the recognition and sensing of anionic guest species is given before strategies for the construction of interlocked architectures are discussed, and the potential functions of these structures considered.
Chapter Two details the development of a novel anion-templation route for the synthesis of macrocycles and rotaxanes. The versatility of this route in constructing new [2]rotaxanes is explored by varying several features of the macrocyclic component, with emphasis on creating the most powerful anion complexant. Proton NMR spectroscopy is used to probe the anion binding properties of the rotaxanes, and X-ray crystallography and MD simulations are used to rationalize anion binding trends. The possibility of synthesizing catenanes for anion recognition via this new synthetic route is also investigated.
Chapter Three investigates the appendage of transition metal complexes to rotaxanes to create interlocked host architectures capable of sensing anions via luminescence spectroscopy. The incorporation of rhenium(I) and ruthenium(II) polypyridyl complexes into the macrocyclic and axle component of [2]rotaxanes are described, before the anion binding studies of these structures using ¹H NMR and luminescence spectroscopy are reported.
Chapter Four describes the strategic synthesis of [2]rotaxanes designed to undergo molecular motion upon a given stimulus. Initially, the possibility of exploiting anions to stimulate the macrocyclic component of the [2]rotaxanes to translocate to a second station on the axle is investigated. The use of pyridine N-oxide as an integrated template for rotaxane formation is reported before the ability of these rotaxanes to undergo anion and pH driven molecular motion is explored. This chapter concludes with the construction of a calix[4]diquinone N-oxide containing [2]rotaxane capable of undergoing sodium- and barium-induced molecular pirouetting.
Chapter Five provides synthetic procedures and characterisation details for compounds listed in this thesis.
Chapter Six reports supplementary experimental information including titration protocols, X-ray crystal structures and MD simulations.

Keywords: rotaxane
anion
templation
supramolecular
molecular machine
sensor
catenane
Advisor: Beer, P
Participant ideology

This thesis examines the relationship of ideology to policy-making on two levels: on the theoretical level, it advances a distinction between philosophical, commentative and participant ideology; on the policy level, it takes as its major case study the reforms initiated by New Labour in the Departments of Social Security, Health and Education and Employment between 1997 and 2001.
The thesis pays particular attention to the deployment of morphological analysis as a means to interpret and decode New Labour's policy practices and thereby opens up new areas for research on the role of ideas in politics. It also delineates the conceptual formulae for the core concepts of New Labour's ideology, stressing conceptual interconnections and contributing to interpretative and normative political theory. Using these to frame the analysis, it presents an account of New Labour's conceptual patterns easily accessible to political philosophers. Finally, the thesis counters the dominant modes of analysing ideology in social policy and shows the strong similarities between the morphological conception of ideology and standard forms of institutional and social policy analysis.
New Labour is shown to create the following patterns: Individuals have rights to the conditions of freedom as self-development, which generate duties sanctionable by legal and direct socioeconomic penalties on others. Where rights do not apply, individuals have personal responsibilities that are presented as supererogatory expectations. The conditions of freedom are to be distributed equally in a manner consistent with progress and social justice for all members of a community who, relating to each other ultimately on the basis of enlightened self-interest, are interdependent and working together across the spheres of a social conception of civil society, a strongly representative and government-dominated conception of democracy and a capitalist market conceived of as a common good. By so doing, each enjoys the freedom of self-development.

Advisor: Freeden, M
Palladium-catalysed cyclisations of bromoenynamides in the synthesis and applications of amidodienes

The aim of this work was to investigate palladium-catalysed cyclisations of bromoenynamides in the synthesis of amidodienes, which on further reaction or oxidation can lead to a diverse range of heteroaromatic systems.
Building upon work within the Anderson group on the palladium-catalysed cyclisations of bromoenynes, we have been able to successfully apply a palladium-catalysed carbopalladation/Stille coupling/electrocyclisation cascade to bromoenynamides and then further develop this to incorporate a Suzuki coupling, leading to bicyclic amidodienes which can undergo selective oxidation to a range of heteroaromatics including indolines, indoles, tetrahydroquinolines and benzazepines.
During the investigations into the cascade cyclisation, a reductive cyclisation was discovered which enabled access to a range of monocyclic amidodienes. These could subsequently be subjected to a series of Diels-Alder cycloadditions (thermal, Lewis acid-catalysed, arynes) and oxidations to afford a complimentary range of heteroaromatic systems.
Whilst this methodology was successful with bromoenynamides, extension of its application to bromoenynhydrazides, with the hope of accessing a relatively unusual range of heteroaromatic structures including indazoles, cinnolines and diazepines, proved to be more problematic.
Finally, expansion of the cascade methodology into a fully intramolecular cyclisation, enabled studies towards the synthesis of the trikentrin family of natural products to be conducted.

Keywords: palladium-catalysed
ynamides
organic chemistry
Advisor: Anderson, E
Agency, physicality, space: analytical approaches to contemporary Nordic concertos

The concerto enjoys a position of centrality within the oeuvres of many contemporary Nordic composers: the genre often functions as a vehicle for the exploration of advanced compositional techniques and aesthetic preoccupations, and the resulting works are well-represented on recordings and in the concert hall. Yet this repertory has largely been neglected in scholarship.
Through detailed analysis of works by Per Nørgård, Kaija Saariaho, Magnus Lindberg, and Pelle Gudmundsen-Holmgreen, this thesis develops analytical technologies for a genre which has received less musicological attention than it deserves. Placing a particular emphasis on the theatrical aspects of concerto performance, the project explores the application of three lines of enquiry, each of which has been theorised in some detail: agency (Cone, Maus, Cumming), physicality (Clarke, Cox, Larson), and space (Brower, Williams). Each of these lines of enquiry has been directed at the concerto sporadically, if at all – even though concertos make particularly compelling and potentially enriching case studies for the theoretical models in question. This thesis represents the first sustained attempt to explore the concerto with reference to these bodies of literature.
The analytical models developed have wider applicability, to concertos both within and without the Nordic arena. I draw attention at numerous points to ways in which they can illuminate works by Ligeti, Birtwistle, Musgrave, Berio, and Lutosƚawski, among others. The project also has wider implications for our understandings of Nordic identity, virtuosity, and musical modernism at the turn of the twenty-first century.

Advisor: Grimley, D
Pyla-Kokkinokremos, Maa-Palaeokastro and the settlement histories of Cyprus in the twelfth century BC

The present thesis provides a methodological examination of Pyla-Kokkinokremos and Maa-Palaeokastro, two settlement-sites that were established in Cyprus during the transition from the Late Cypriot IIC (roughly the thirteenth century BC) to the Late Cypriot IIIA (roughly the twelfth century BC). These two settlements were extremely short-lived and persisted for merely a couple of generations before their eventual abandonment. The period under consideration is often referred to as the “Crisis Years”, and marks a time when the politically and economically powerful land-based polities of the eastern Mediterranean were brought to an end. The foundation of Pyla-Kokkinokremos and Maa-Palaeokastro coincides with these critical years for the eastern Mediterranean and the upheaval of the settlement pattern of Cyprus. Since their excavation, the two sites have been considered as two very controversial and intriguing phenomena. Their selected position on top of naturally fortified locations and the marked absence of perennial water sources in their vicinity suggested that they were established in order to fulfil a special purpose. The original suggestion put forward by the excavator that Pyla-Kokkinokremos and Maa-Palaeokastro represent the earliest establishments of refugees fleeing from the Aegean following the palatial collapse has been questioned by a number of scholars, who insist on the Cypriot character of the two sites, and therefore consider them as outposts established by local populations. This dissertation provides a re-examination of the topographical setting of the two settlements, their architectural characteristics and their material culture, mostly pottery, aiming to determine the series of events that led to their establishment, as well as the roles and functions fulfilled by the two sites. The objective of this study is not exclusively concerned with the detailed presentation of excavated architectural and artefactual remains from Pyla-Kokkinokremos and Maa-Palaeokastro. In extent, the aims of this thesis are to define the character of Cyprus during the years marking the transition from the thirteenth to the twelfth century BC, and examine transformations in the settlement pattern of the island, its socio-political landscape and provide a holistic approach of its material culture.

Keywords: Cypriot Archaeology
Late Bronze Age
Advisor: Lemos, I
The computational neuroscience of head direction cells

Head direction cells signal the orientation of the head in the horizontal plane. This thesis shows how some of the known head direction cell response properties might develop through learning. The research methodology employed is the computer simulation of neural network models of head direction cells that self-organize through learning. The preferred firing directions of head direction cells will change in response to the manipulation of distal visual cues, but not in response to the manipulation of proximal visual cues. Simulation results are presented of neural network models that learn to form separate representations of distal and proximal visual cues that are presented simultaneously as visual input to the network. These results demonstrate the computation required for a subpopulation of head direction cells to learn to preferentially respond to distal visual cues. Within a population of head direction cells, the angular distance between the preferred firing directions of any two cells is maintained across different environments. It is shown how a neural network model can learn to maintain the angular distance between the learned preferred firing directions of head direction cells across two different visual training environments. A population of head direction cells can update the population representation of the current head direction, in the absence of visual input, using internal idiothetic (self-generated) motion signals alone. This is called the path integration of head direction. It is important that the head direction cell system updates its internal representation of head direction at the same speed as the animal is rotating its head. Neural network models are simulated that learn to perform the path integration of head direction, using solely idiothetic signals, at the same speed as the head is rotating.

Keywords: Neural Networks
Head Direction Cells
Spatial Processing
Advisor: Stringer, S
Buckley, M
The ecology and social organisation of Hanuman langurs (Presbytis entellus Dufresne, 1797) in Kanha tiger reserve, central Indian highlands

Hanuman langurs were studied for two years between 1980 and 1983 in Kanha Tiger Reserve, Mandla District, a 1945 sq.km tract of hilly, monsoonal, moist deciduous (sal) and dry deciduous forest, interspersed with anthropogenic meadows. Langur population density was 46.15/sq.km., 93% of troops were unimale, 69.6% of males were extra-troop (in bands), troop adult sex ratio was 1:7.9. Both gradual and rapid replacement of troop adult males occured. An all-male band attacked the study troop, killing three of six infants and, following a phase of consorting, a band male replaced the troop resident male. The observation of infanticide in a low density, undisturbed habitat supports the 'sexual selection' hypothesis and not the 'social pathology' hypothesis. Analysis of intraspecific variation suggests that troop structure and not density is associated with infant killing. The timing of takeovers with respect to the birth season agrees with that predicted if the sexual selection hypothesis is applicable. Activity, feeding and ranging budgets were estimated using scan sampling of the study troop over twelve months. Langurs selected against the use of meadow but for a clump of mixed forest at the centre of their 74.5 ha annual range. Evidence was obtained of territorial site-dependent defence. A dichotomy between troop-troop and troop-band spatial relationships is interpreted in terms of differences in male reproductive strategies and the costs and benefits of conflict. The diet was diverse, including gum and insects, but was dominated by mature leaf and fruit. Trees were not utilized in proportion to their abundance. Range patterns were related to the spatial distribution of highly selected trees and the seasonal consumption of ephemeral food items was related to their availability.

Advisor: Coe, M
How large should a clinical trial be?

One of the most important questions in the planning of medical experiments to assess the performance of new drugs or treatments, is how big to make the trial. The problem, in its statistical formulation, is to determine the optimal size of a trial. The most frequently used methods of determining sample size in clinical trials is based on the required p-value, and the required power of the trial for a specified treatment effect. In contrast to the Bayesian decision theoretic approach there is no explicit balancing of the cost of a possible increase in the size of the trial against the benefit of the more accurate information which it would give. In this work we consider a fully Bayesian (or decision theoretic) approach to sample size determination in which the number of subsequent users of the therapy under investigation, and hence also the total benefit resulting from the trial, depend on the strength of the evidence provided by the trial. Our procedure differs from the usual Bayesian decision theory methodology, which assumes a single decision maker, by recognizing the existence of three decision makers, namely: the pharmaceutical company conducting the trial, which decides on its size; the regulator, whose approval is necessary for the drug to be licenced for sale; and the public at large, who determine the ultimate usage. Moreover, we model the subsequent usage by plausible assumptions for actual behaviour, rather than assuming that this represents decisions which are in some sense optimal. For this reason the procedure may be called "Behavioural Bayes" (or BeBay for short), the word Bayes referring to the optimization of the sample size. In the BeBay methodology the total expected benefit from carrying out the trial minus the cost of the trial is maximized. For any additional sales to occur as a result of the trial it must provide sufficient evidence both to convince the regulator to issue the necessary licence and to convince potential users that they should use the new treatment. The necessary evidence is in the form of a high probability after the trial that the new treatment achieves a clinically relevant improvement compared to the alternative treatment. The regulator is assumed to start from a more sceptical and less well-informed view of the likely performance of the treatment than the company carrying out the trial. The total benefit from a conclusively favourable trial is assessed on the basis of the size of the potential market and aggregated over the anticipated life-time of the product, using appropriate discounting for future years.
Aspects of community participation among slum dwellers in achieving housing in Bombay

This thesis is concerned with the housing and service needs of the poor (slum dwellers) in Bombay and how they are articulated and satisfied. It discusses how the poor perceive the constraints on slum servicing and improvement, their involvement in community organizations, and the role the community and its leaders play in influencing state action. Since housing and servicing issues directly impinge on the interests of politicians and bureaucrats as well as on those of the poor, patterns of provision mirror closely the nature of the relationship between the poor and how political and administrative power operates at various levels.
Chapter 1 provides the research aims and objectives while Chapter 2 reviews the literature on community participation. Chapter 3 on Bombay places housing development in context and also serves as background study to the thesis. This research studies three different slum settlements housing migrants to Bombay. Two surveys of these three slum settlements were carried out, involving interviews with 135 households. Chapter 4 describes the characteristics of these households, while chapters 5, 6, and 7 give the arguments of the thesis. It is shown that, despite an established system of representative community organisations and a pro-participation rhetoric in bureaucratic discourse, most slum dwellers are excluded from participating in decision-making. A patron-client relationship exists between politicians, bureaucrats and community leaders, both in determining the community leaders' power as well as the level of services and physical benefits that he/she could win for the slum community. Leaders are generally better educated, better employed, more prosperous and highly motivated than most of their community. The NGO in this study has acted mainly as intermediary between the government and the slum-dwellers.
Neutron and X-ray scattering studies of honeycomb iridates

This thesis presents neutron and x-ray scattering measurements on quasi-two-dimensional honeycomb antiferromagnets A2IrO3 (A=Na, Li) and the solid-solution intermediate material (Na1-xLix)2IrO3. The aim is to study the magnetic order and excitations of 5d Ir4+ ions in a honeycomb lattice, where unusual magnetic properties have been theoretically predicted to be stabilised by the combinations of strong spin-orbit coupling and honeycomb lattice geometry with 90 degree Ir-O-Ir bonding.
By using an optimised setup to minimise the strong neutron absorption by Ir nuclei, inelastic neutron scattering measurements on powder sample of Na2IrO3 observed dispersive excitations below 5meV with a dispersion that can be accounted for by including substantial further-neighbor exchanges that stabilize zigzag magnetic order. The onset of long-range magnetic order was confirmed by the observation of oscillations in zero-field muon-spin rotation experiments. Higher-resolution inelastic neutron data found features consistent with a spin gap of 1.8meV and the data was parameterised by including Ising-type exchange anisotropy.
Combining single-crystal diffraction and density functional calculations, a revised crystal structure model with significant departures from the ideal 90 degree Ir-O-Ir bonds required for dominant Kitaev exchange was proposed. Various "idealised'' crystal structures were constructed to emphasize the departures between the actual structure and structures with cubic IrO6 octahedra.
The magnetic excitations from the isostructural Li2IrO3 revealed strongly dispersive magnetic excitations, qualitatively different from Na2IrO3. Elastic neutron diffraction detected a magnetic Bragg peak with a wavevector consistent with spiral orders. To explain the observed neutron data, the spiral H2 phase in the Heisenberg J1-J2-J3 model was proposed, and a full calculation was performed with strong in-plane anisotropic interaction. A further measurement for improving the lower-energy excitation found no clear evidence for a spin gap down to E=0.7meV.
Lastly, the crystal structure of (Na1-xLix)2IrO3 was investigated with single-crystal x-ray diffraction, revealing a site-mixing of Ir and Na ions in the honeycomb lattice and insensitivity of the refinement to the Li positions. Ab initio calculations suggested that up to x=0.25 Li ions replaced Na in the honeycomb centre and phase separation occurred beyond that, which is consistent with the evolution of observed lattice parameters.

Keywords: iridate
quantum magnet
magnetic order and excitations
magnetism
Advisor: Coldea, R
The origins and development of early Mycenaean culture

In the Introduction, the development of theories about the prehistoric cultures of the Aegean, particularly the Mycenaean culture of the Greek mainland, is sketched. It is argued that the greatest deficiencies of all theories are that they have failed to take enough account of the culture preceding the Mycenaean, the Middle Helladic, and have too readily assumed that the mainland was a cultural unity in the Middle and Late Bronze Age. The intention of this thesis is to consider the remains from a chronological and regional point of view, in which the Middle Helladic culture, the Shaft Graves, and the evidence for Early Mycenaean development outside the Argolid will all be given separate treatment. The term 'Early Mycenaean' is defined as being the period from the adoption of Mycenaean culture to the horizon of destructions marked by Late Minoan IB pottery, equivalent to the pottery-phases Late Helladic I and IIA; the following period, to the fall of Knossos, is called 'Middle Mycenaean'.
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