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Recently Added 

  1. Catalytic Carbochlorocarbonylation of Unsaturated Hydrocarbons via C-COCl Bond Cleavage** 

    Denton, Elliott H.; Lee, Yong Ho; Roediger, Sven; et al. (2021)
    Angewandte Chemie. International Edition
    Here we report a palladium-catalysed difunctionalisation of unsaturated C-C bonds with acid chlorides. Formally, the C-COCl bond of an acid chloride is cleaved and added, with complete atom economy, across either strained alkenes or a tethered alkyne to generate new acid chlorides. The transformation does not require exogenous carbon monoxide, operates under mild conditions, shows a good functional group tolerance, and gives the isolated ...
    Journal Article
  2. Efficient Alchemical Intermediate States in Free Energy Calculations Using.-Enveloping Distribution Sampling 

    Koenig, Gerhard; Ries, Benjamin; Huenenberger, Philippe H.; et al. (2021)
    Journal of Chemical Theory and Computation
    Alchemical free energy calculations generally require intermediate states along a coupling parameter lambda to establish sufficient phase space overlap for obtaining converged results. Such intermediate states can also be engineered to lower the energy barriers and, consequently, reduce the required sampling time. The recently introduced lambda-enveloping distribution sampling (lambda-EDS) scheme combines the properties of the minimum ...
    Journal Article
  3. Feminist Education in liberal Democracy 

    Giesinger, Johannes (2021)
    Zeitschrift für Pädagogik
    This essay pursues the question of whether feminist ideas are legitimately transmitted in the state schools of a liberal democracy. The discussion is developed on the basis of a distinction between perfectionist-liberal and political-liberal accounts: while the former clearly legitimise the transmission of feminist-liberal values, the latter create room for non -liberal and non -egalitarian worldviews and ways of life. This essay is not ...
    Journal Article
  4. Automated generation of consistent models using qualitative abstractions and exploration strategies 

    Babikian, Aren A.; Semerath, Oszkar; Li, Anqi; et al. (2021)
    Software and Systems Modeling
    Automatically synthesizing consistent models is a key prerequisite for many testing scenarios in autonomous driving to ensure a designated coverage of critical corner cases. An inconsistent model is irrelevant as a test case (e.g., false positive); thus, each synthetic model needs to simultaneously satisfy various structural and attribute constraints, which includes complex geometric constraints for traffic scenarios. While different logic ...
    Journal Article
  5. Quantitative profiling of inflammatory and proresolving lipid mediators in human adolescents and mouse plasma using UHPLC-MS/MS 

    Hartling, Ivan; Cremonesi, Alessio; Osuna, Ester; et al. (2021)
    Clinical Chemistry and Laboratory Medicine
    Objectives: Lipid mediators are bioactive lipids which help regulate inflammation. We aimed to develop an ultrahigh-performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) method to quantify 58 pro-inflammatory and pro-resolving lipid mediators in plasma, determine preliminary reference ranges for adolescents, and investigate how total parenteral nutrition (TPN) containing omega-3 polyunsaturated fatty acid (n-3 PUFA) or ...
    Journal Article

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