697 research outputs found

    Crystallographic Structures, Structural Similarity Parameters, PIXEL Calculations and Charge Density Data for a Set of Fluoroanilines

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    Additional appendices for the Doctoral thesis &quot;A Systematic Study into the Influence of Aromatic Stacking Interactions and Fluorine Substituent Effects on Molecular Organic Crystal Assembly&quot; submitted by Eleanor Dodd April 2020</span

    A systematic study into the influence of aromatic stacking interactions and fluorine substituent effects on molecular organic crystal assembly

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    This thesis reports the aromatic stacking interactions observed within a system of related fluorinated organic compounds, fluorinated benzylideneanilines (or fluoroanilines). A comprehensive library of fluoroaniline structures was assembled to systematically study the effect of fluorine substitution primarily on the aromatic stacking interactions, but also the complementarity with any other non-covalent intermolecular interactions. Through controlled, iterative changes to the number and position of fluorine substituents in the molecule, it is possible to examine the shifting preference for different aromatic interaction configurations. The entire library of structures was structurally characterised through single crystal X-ray diffraction analysis. The structures are categorised into groups based on their crystal assembly, intermolecular geometry and spatial packing similarity. A subset of these structures was selected for quantitative analysis of the intermolecular interactions by high resolution data collection and quantum crystallographic methods. Topological analysis of the experimental electron density field gradient using Quantum Theory of Atoms in Molecules and complementary theoretical calculations using the interaction energy approach reveal the nature of these interactions. These analyses compute energies for intermolecular interactions from which the observed crystal structure assembly can be rationalised. The primary results of this study characterise the influence of fluorine substituents on the molecular packing in the crystal. Significantly, these findings show that contrary to popular belief, this influence is not necessarily due to atom-atom intermolecular interactions, but rather to dipole-dipole direct substituent interactions between stacked aromatic rings. This study also generated many more results which characterise the nature of these interactions and when combined with the categorisation of packing motifs this provides a framework within which molecular assembly in this system can be rationalised. From this it is possible to identify the nature of interactions which are clearly dominant and provide a means for characterising other interactions which are not structure-directing

    Making connections: problems, progress and priorities – a practitioner’s viewpoint

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    In this thesis, the reader is invited to ‘think with the story’ (Bochner, 1997) as the issues arising from a research project undertaken by a full-time classroom teacher are explored. The study began with the intention to help children make connections in their learning. Taking an action research approach, over a span of two and a half years, ways to help children link ideas were investigated, their responses observed and their views explored through techniques such as interviews, games and stimulated recall. As the study progressed, it developed a stronger focus on practitioner research, especially in relation to teacher research with children. Following a change of school, the research focused on working with a ‘pupil research group’ over a six-month period. The thesis addresses the learning of the teacher-researcher about the connections and challenges involved, including contextual issues, different methodological strategies, power relationships, different voices and viewpoints in research and the process of change. A narrative approach is used to tell much of the story, in the form of an informal dialogue between the author as a teacher and the author as a researcher. Thus, the common and conflicting demands and benefits of research and teaching in such a project are explored in dynamic fashion. Ultimately, a framework to support practitioner researchers, based on the problems and progress in the study, is presented with some priorities for the future

    Social theory and the sociological imagination: an interview with Nigel Dodd (1 of 2)

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    Part I of our interview with Nigel Dodd, interviewed by Riad Azar. Nigel Dodd is Professor in the Sociology Department at the LSE. He obtained his PhD from the University of Cambridge in 1991 on the topic of Money in Social Theory, and lectured at the University of Liverpool before joining the LSE in 1995. Nigel’s main interests are in the sociology of money, economic sociology and classical and contemporary social thought. He is author of The Sociology of Money and Social Theory and Modernity (both published by Polity Press). His most recent book, The Social Life of Money, was published by Princeton University Press in September 2014

    EastLife: An Anthology of Life Writing

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    EastLife: An Anthology of Life Writing. Edited by Tessa McWatt, Sam Dodd, and Stephen Maddison.© 2015 All rights reserved. This book or any portion thereof may not be reproduced without the express written permission of the author

    Introduction: Ethics and Integrity in Visual Research Methods

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    This chapter serves as an introduction to the key themes found within the volume Ethics and Integrity in Visual Research Methods, and provides a rationale for the volume’s focus on photography and film media. Drawing from other literature, the author discusses the significance of indexicality and visual language when working with photography and film in research contexts, and describes how these considerations set photography and film apart from other forms of visual data. The chapter concludes by outlining the format of the volume, which divides the nine chapters into three key areas of exploration: Voice and Agency, Power and Inequality, and Context and Representation

    Banking Regulation: An Analysis of Dodd-Frank

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    abstract: Dodd-Frank should be celebrated for its success in stabilizing the financial sector following the last financial crisis. Some of its measures have not only contained financial disaster but contributed to economic growth. These elements of Dodd-Frank have been identified as "clear wins" and include the increase of financial institutions' capital requirements, the single-point-of-entry approach to regulating financial firms, and the creation of the Consumer Financial Protection Bureau (CFPB). The single-point-of-entry strategy (SPOE), specifically, has done much to bring an end to the age of "too big to fail" institutions. By identifying firms that could expect to be aided in case of financial crisis, the SPOE approach reduces uncertainty among financial institutions. Moreover, SPOE eliminates the significant source of risk by establishing clear protocols for resolving failed financial firms. Dodd-Frank has also taken measures to better protect consumers with the creation of the CFPB. Some of the CFPB's stabilizing actions have included the removal of deceptive financial products, setting guidelines for qualified mortgages, and other regulatory safeguards on money transfers. Despite the CFPB's many triumphs, however, there is room for improvement, especially in the agency's ability to reduce regulatory redundancies in supervision and collaboration with other financial sector controllers. The significant strengths of Dodd-Frank are evident in its elements that have secured financial stability. However, it is important to also consider any potential to stifle healthy economic growth. There are several areas for legislative amendments and reforms in order to improve the performance of Dodd-Frank given its sweeping regulatory impact. Several governing redundancies now exist with the creation of new regulatory authorities. Special efforts to increase the authority of the Financial Sector Oversight Council (FSOC) and preserving the impartiality of the Office of Financial Research (OFR) are specific examples of reforms still needed to elevate the effectiveness of Dodd-Frank. In addition, Dodd-Frank could do more to clarify the Volcker Rule in order to ease banks' burden to comply with excessive oversight. Going forward, policymakers must be willing to adjust parts of Dodd-Frank that encroach too far on the private sector's ability to foster efficiency or development. In addition, identifying and monitoring areas of the legislation deemed "too soon to tell" will provide insight on the accuracy and benefit of some Dodd-Frank measures

    <i>N</i>,<i>N</i>′-Dibutyloxamide

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    N,N′-dibutyloxamide (1) was prepared by reacting diethyloxalate with n-butylamine in ethyl alcohol and characterized by microanalytical techniques, FT-IR, and NMR spectroscopy. Crystals suitable for single crystal X-ray diffraction (SC-XRD) were obtained from an acetonitrile solution of 1, and the structural characterization showed the presence of intermolecular hydrogen bonding interactions

    Destructive Collectivism: Dodd-Frank Coordination and Clearinghouses

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    The recent financial crises have generated strenuous academic debates on the fundamental premises of market regulation. The interaction between the state and the market is at the core of this discourse. A plethora of postcrisis reforms threaten to undermine the historical monopoly of centralized regulators through more coordinated, “collectivist” approaches to capital market regulation. The dangers of this new collectivism are not fully explored in the current scholarship. This Article questions the Dodd-Frank coordination mechanisms by demonstrating that crucial benefits may result from the predictability of a linear market-regulator interaction in a cooperative environment. An example of such a successful multiparty interaction is the traditional sector-specific regulatory regime in the clearing and settlement industry. In clearing, the linear interaction between centralized regulators, such as the SEC, and clearinghouses was associated with market efficiencies, lower regulatory costs, and transaction cost reduction. The relationship was premised on several fundamental postulates, including principles-based regulations, a low frequency of enforcement actions, participatory corporate governance mechanisms that strengthened market self-regulation, a contestable monopoly organization of the industry, and the continuous judicial support of clearing and settlement utilities. To examine these postulates, this Article reviews the history of clearing regulations and forty years of pertinent case law and enforcement actions. This Article suggests that Dodd-Frank has put forth a questionable approach to reforming — at the very least — successful industries, such as clearing, which were not directly implicated in the crisis. In clearing, Dodd-Frank coordination mechanisms should be invoked rarely, and only in cases where specific inefficiencies in the traditional sector-specific model explicitly undermine its benefits, including regulatory flexibility and cooperation between expert regulators and regulated industries.Peer reviewe

    <i>N,N′</i>-Dibutyloxamide

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    N,N′-dibutyloxamide (1) was prepared by reacting diethyloxalate with n-butylamine in ethyl alcohol and characterized by microanalytical techniques, FT-IR, and NMR spectroscopy. Crystals suitable for single crystal X-ray diffraction (SC-XRD) were obtained from an acetonitrile solution of 1, and the structural characterization showed the presence of intermolecular hydrogen bonding interactions.</p
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