1,665 research outputs found

    Hydrogen transfer reactions of indoles

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    Asymmetric Epoxidation: A Twinned Laboratory and Molecular Modeling Experiment for Upper-Level Organic Chemistry Students

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    The coupling of a student experiment involving the preparation and use of a catalyst for the asymmetric epoxidation of an alkene with computational simulations of various properties of the resulting epoxide is set out in the form of a software toolbox from which students select appropriate components. At the core of these are the computational spectroscopic tools, whereby a measured spectrum can be interpreted in some detail using theoretical simulations. These include a range of modern chiroptical methods to accompany the increased use of such techniques in modern teaching laboratories. Computational experiments are captured in a Wiki-based electronic laboratory notebook, which features data-stamping, authenticated entries, and inclusion of semantically intact data via interactive models rendered within the Wiki using JSmol and its referencing via a digital object identifier (DOI) to a digital data repository

    Communication and re-use of chemical information in bioscience.

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    The current methods of publishing chemical information in bioscience articles are analysed. Using 3 papers as use-cases, it is shown that conventional methods using human procedures, including cut-and-paste are time-consuming and introduce errors. The meaning of chemical terms and the identity of compounds is often ambiguous. valuable experimental data such as spectra and computational results are almost always omitted. We describe an Open XML architecture at proof-of-concept which addresses these concerns. Compounds are identified through explicit connection tables or links to persistent Open resources such as PubChem. It is argued that if publishers adopt these tools and protocols, then the quality and quantity of chemical information available to bioscientists will increase and the authors, publishers and readers will find the process cost-effective.An article submitted to BiomedCentral Bioinformatics, created on request with their Publicon system. The transformed manuscript is archived as PDF. Although it has been through the publishers system this is purely automatic and the contents are those of a pre-refereed preprint. The formatting is provided by the system and tables and figures appear at the end. An accommpanying submission, http://www.dspace.cam.ac.uk/handle/1810/34580, describes the rationale and cultural aspects of publishing , abstracting and aggregating chemical information. BMC is an Open Access publisher and we emphasize that all content is re-usable under Creative Commons Licens

    The concept of the self in Come Walk with Me: A Memoir by Beatrice Mosionier

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    Beatrice (Culleton) Mosionier is a Canadian Métis writer, whose first strongly autobiographical novel In Search of April Raintree (1983) has been recognized as a classic of contemporary Native Canadian literatures. Her memoir, Come Walk with Me (2009), describes her life story from 1949 till 1987, covering also the period between 1987 and 2001 in a brief epilogue. In the memoir, Mosionier uses fragments of the transcript of an interview conducted with her mother in 1984 by Alanis Obomsawin to preface the three parts of her book. Apart from constructing the two lives as parallel and in dialogue with one another, Mosionier frames and dialogises her story also through references to the process of writing, publication and the success of her novel; and reaches out to readers to induce them to “walk” with her. The aim of the present article is to examine the narrative presentation of the process of self-discovery focusing in particular on the relational aspects of the life story. Mosionier’s memoir demonstrates her growing into the realisation of the fact that her identity is relational-she recognizes herself as part of a larger ethnic and social group, and later also as shaped by familial relations. While depicting “the self [that] is dynamic, changing, and plural” (Eakin 1999: 98), she conceptualises it in reference to what she believes to be an essentially static core identity, and as “channelled” through a life that largely follows a predetermined pattern

    “Metaphors of Interrelatedness in Lorna Crozier’s Small Beneath the Sky: A Prairie Memoir”

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    This article focuses on metaphoric structures in Lorna Crozier’s Small Beneath the Sky: A Prairie Memoir (2009). Crozier’s straightforward narrative of incidents from her past is structured around a series of poetic vignettes describing originary phenomena that have shaped her. The “first causes,” as she calls them metaphorically, add up to the familiar mix of parameters of origin and belonging: the intimate place/landscape, family, and discourse. My aim is to demonstrate how Crozier’s metaphors contribute to the world of interrelatedness she constructs in the memoir. In the process, Crozier continues to develop a broader project of the revisioning of patriarchal mythologies (e. g., the Canadian myth of the prairie West) from a female/feminist point of view.Research for this article was supported by the National Science Centre Poland under grant PRO-2012/05/B/HS2/0400

    Chemistry in Bioinformatics

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    A preprint of an invited submission to BioMedCentral Bioinformatics. This short manuscript is an overview or the current problems and opportunities in publishing chemical information. Full details of technology are given in the sibling manuscript http://www.dspace.cam.ac.uk/handle/1810/34579 The manuscript is the authors' preprint although it has been automatically transformed into this archived PDF by the submission system. The authors are not responsible for the formattingChemical information is now seen as critical for most areas of life sciences. But unlike Bioinformatics, where data is Openly available and freely re−usable, most chemical information is closed and cannot be re−distributed without permission. This has led to a failure to adopt modern informatics and software techniques and therefore paucity of chemistry in bioinformatics. New technology, however, offers the hope of making chemical data (compounds and properties) Free during the authoring process. We argue that the technology is already available; we require a collective agreement to enhance publication protocols

    Non-catalytic bromination of benzene: a combined computational and experimental study

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    The non-catalytic bromination of benzene is shown experimentally to require high 5-14M concentrations of bromine in order to proceed at ambient temperatures to form predominantly bromobenzene, along with detectable (The non-catalytic bromination of benzene is shown experimentally to require high 5-14M concentrations of bromine in order to proceed at ambient temperatures to form predominantly bromobenzene, along with detectable (The non-catalytic bromination of benzene is shown experimentally to require high 5-14M concentrations of bromine in order to proceed at ambient temperatures to form predominantly bromobenzene, along with detectable

    Representation and use of chemistry in the global electronic age.

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    We present an overview of the current state of public semantic chemistry and propose new approaches at a strategic and a detailed level. We show by example how a model for a Chemical Semantic Web can be constructed using machine-processed data and information from journal articles.This manuscript addresses questions of robotic access to data and its automatic re-use, including the role of Open Access archival of data. This is a pre-refereed preprint allowed by the publisher's (Royal Soc. Chemistry) Green policy. The author's preferred manuscript is an HTML hyperdocument with ca. 20 links to images, some of which are JPEgs and some of which are SVG (scalable vector graphics) including animations. There are also links to molecules in CML, for which the Jmol viewer is recommended. We susgeest that readers who wish to see the full glory of the manuscript, download the Zipped version and unpack on their machine. We also supply a PDF and DOC (Word) version which obviously cannot show the animations, but which may be the best palce to start, particularly for those more interested in the text
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