88 research outputs found

    Energy Monitoring and Management System

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    The Energy Monitoring and Management System facilitates access to electric power in regions with limited energy by increasing energy conservation and education. The solution consists of a meter which allocates a configurable daily energy limit per facility, and a display that provides practical information to the user including reporting how much energy they have used and how much they have left before their power is automatically cut off until the next day. The current version of the system has successfully been installed in multiple facilities in Burkina Faso and Zimbabwe, however software errors are preventing the system from meeting client specifications. To remedy this issue, our team has performed various updates to the software of the meters in preparation in order to distribute a software update to our client. A testing procedure has been implemented to verify functional operation. Mechanical performance issues were also reported about the installed meters. Hardware revisions and design updates have been implemented to resolve the issues. This presentation will detail the steps made to debug module programming and revise hardware design.https://mosaic.messiah.edu/engr2020/1006/thumbnail.jp

    Mass Spectrometric Back Reaction Screening of Quasi-Enantiomeric Products as a Mechanistic Tool

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    In this account, we discuss a mass spectrometric method that enables unambiguous identification of intermediates involved in the enantioselective step of a catalytic cycle. This method, which we originally developed for rapid evaluation of chiral catalysts, is based on monitoring the back reaction of mass-labeled quasi-enantiomeric products by ESI-MS. In this way, the intrinsic enantioselectivity of a chiral catalyst can be determined directly by quantification of catalytically relevant intermediates. By comparing the results from the forward and back reaction, direct evidence for the involvement of a catalytic intermediate in the enantioselective step can be obtained. In addition, insights about the energy profile of the catalytic cycle may be gained. The potential of back reaction screening as a mechanistic tool is demonstrated for organocatalytic aldol reactions, 1,4-additions of aldehydes to nitroolefins, Diels-Alder reactions, Michael additions, and Morita-Baylis-Hillman reactions

    Synthesis and asymmetric hydrogenation of (3E)-1-benzyl-3-[(2-oxopyridin-1(2H)-yl)methylidene]piperidine-2,6-dione

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    The synthesis of (3E)-1-benzyl-3-[(2-oxopyridin-1(2H)-yl)methylidene]piperidine-2,6-dione 4 from N-benzylglutarimide was achieved in three steps. The asymmetric hydrogenation of 4 gave either the product of partial reduction (10) or full reduction (13), depending on the catalyst which was employed, in high ee in each case. Attempts at asymmetric transfer hydrogenation (ATH) of 4 resulted in formation of a racemic product

    Rethinking phonics: Teaching and learning of graphophonemic concepts in one kindergarten class

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    This qualitative study explores the teaching and learning of graphophonemic relationships in my urban kindergarten class to identify and explain connections in how my teaching practices, children\u27s engagement, and the larger curriculum contributed to children\u27s growing knowledge. In contrast to the traditional focus on the teaching, learning, and testing of phonics in isolation, this study examines children\u27s learning by looking closely at children\u27s actual writing and classroom participation. This teacher-research study employs ethnographic methods for data collection and analysis. Data were collected throughout the 1992-1993 school year. Procedures included fieldnotes, videotaping, audio-taping, and journal reflections. Site documents, including all children\u27s journals throughout the year, were analyzed. Three children were selected as case studies. Three units of analysis were developed to uncover how ongoing life in this classroom contributed to children\u27s development of graphophonemic knowledge: the day, the event, the children. In this dissertation I make the argument that graphophonemic knowledge is co-constructed by teacher and children during authentic literacy events that are embedded in all curricular areas--opportunities for individual and group instruction are seized as they occur and are interwoven rather than isolated and predetermined as packaged programs advocate. I show that the teacher\u27s role is creator of curriculum--a role that challenges the view that the teacher is implementer of a preplanned curriculum. I argue that social interaction is a critical component in children\u27s development of graphophonemic knowledge and that these interactional patterns change as children\u27s knowledge and skill change. These arguments challenge common practice which implies that children systematically learn graphophonemic relationships in a predetermined sequence and in which the pattern of interaction assumed is teacher/whole class. I suggest further that a constructivist approach to the teaching and learning of graphophonemic knowledge is effective for children who begin school with varying levels of conceptual and specific graphophonemic knowledge. Implications from the data for further study of children\u27s learning of graphophonemic concepts in home and classroom contexts and for longitudinal follow-up studies are discussed

    An ONIOM Study of the Bergman Reaction: A Computationally Efficient and Accurate Method for Modeling the Enediyne Anticancer Antibiotics

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    The Bergman cyclization of large polycyclic enediyne systems that mimic the cores of the enediyne anticancer antibiotics was studied using the ONIOM hybrid method. Tests on small enediynes show that ONIOM can accurately match experimental data. The effect of the triggering reaction in the natural products is investigated, and we support the argument that it is strain effects that lower the cyclization barrier. The barrier for the triggered molecule is very low, leading to a reasonable half-life at biological temperatures. No evidence is found that would suggest a concerted cyclization/H-atom abstraction mechanism is necessary for DNA cleavage

    Large-Scale Computational Modeling of [Rh(DuPHOS)] +

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    An ONIOM study of the Bergman reaction: a computationally efficient and accurate method for modeling the enediyne anticancer antibiotics

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    The Bergman cyclization of large polycyclic enediyne systems that mimic the cores of the enediyne anticancer antibiotics was studied using the ONIOM hybrid method. Tests on small enediynes show that ONIOM can accurately match experimental data. The effect of the triggering reaction in the natural products is investigated, and we support the argument that it is strain effects that lower the cyclization barrier. The barrier for the triggered molecule is very low, leading to a reasonable half-life at biological temperatures. No evidence is found that would suggest a concerted cyclization/H-atom abstraction mechanism is necessary for DNA cleavage

    Comparison of CBS-QB3, CBS-APNO, and G3 predictions of gas phase deprotonation data

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    The G3, CBS-QB3, and CBS-APNO methods have been used to calculate DeltaH and DeltaG values for deprotonation of seventeen gas-phase reactions where the experimental values are reported to be accurate within one kcal/mol. For these reactions, the mean absolute deviation of these three methods from experiment is 0.84 to 1.26 kcal/mol, and the root-mean-square deviation for DeltaG and DeltaH is 1.43 and 1.49 kcal/mol for the CBS-QB3 method, 1.06 and 1.14 kcal/mol for the CBS-APNO method, and 1.16 and 1.28 for the G3 method. The high accuracy of these methods makes them reliable for calculating gas-phase deprotonation reactions, and allows them to serve as a valuable check on the accuracy of experimental data reported in the National Institutes of Standards and Technology database
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