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    Addressing the Reproducibility of Photocatalytic Carbon Dioxide Reduction
    (Weinheim : Wiley-VCH Verlag, 2019) Marx, Maximilian; Mele, Andrea; Spannenberg, Anke; Steinlechner, Christoph; Junge, Henrik; Schollhammer, Philippe; Beller, Matthias
    Reproducibility of photocatalytic reactions, especially when conducted on small scale for improved turnover numbers with in situ formed catalysts can prove challenging. Herein, we showcase the problematic reproducibility on the example of attractive photocatalytic CO2 reduction utilizing [FeFe] hydrogenase mimics. These Fe complexes, well-known for their application in proton reduction reactions, were combined with a heteroleptic Cu photosensitizer and produced CO/H2/HCO2H mixtures of variable constitution. However, the reactions indicated a poor reproducibility, even when conducted with well-defined complexes. Based on our experience, we make suggestions for scientists working in the field of photocatalysis on how to address and report the reproducibility of novel photocatalytic reaction protocols. In addition, we would like to highlight the importance of studying reproducibility of novel reaction protocols, especially in the fields of photocatalytic water splitting and CO2 reduction, where TONs are widely used as the comparable measure for catalytic activity. © 2019 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.
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    A tale of two 'opens': intersections between Free and Open Source Software and Open Scholarship
    (Charlottesville, VA : Center for Open Science, 2020) Tennant, Jonathan P.; Agrawal, Ritwik; Baždarić, Ksenija; Brassard, David; Crick, Tom; Dunleavy, Daniel J.; Evans, Thomas Rhys; Gardner, Nicholas; Gonzalez-Marquez, Monica; Graziotin, Daniel; Greshake Tzovaras, Bastian; Gunnarson, Daniel; Havemann, Johanna; Hosseini, Mohammad; Katz, Daniel S.; Knöchelmann, Marcel; Lahti, Leo; Madan, Christopher R.; Manghi, Paolo; Marocchino, Alberto; Masuzzo, Paola; Murray-Rust, Peter; Narayanaswamy, Sanjay; Nilsonne, Gustav; Pacheco-Mendoza, Josmel; Penders, Bart; Pourret, Olivier; Rera, Michael; Samuel, John; Steiner, Tobias; Stojanovski, Jadranka; Uribe Tirado, Alejandro; Vos, Rutger; Worthington, Simon; Yarkoni, Tal
    There is no clear-cut boundary between Free and Open Source Software and Open Scholarship, and the histories, practices, and fundamental principles between the two remain complex. In this study, we critically appraise the intersections and differences between the two movements. Based on our thematic comparison here, we conclude several key things. First, there is substantial scope for new communities of practice to form within scholarly communities that place sharing and collaboration/open participation at their focus. Second, Both the principles and practices of FOSS can be more deeply ingrained within scholarship, asserting a balance between pragmatism and social ideology. Third, at the present, Open Scholarship risks being subverted and compromised by commercial players. Fourth, the shift and acceleration towards a system of Open Scholarship will be greatly enhanced by a concurrent shift in recognising a broader range of practices and outputs beyond traditional peer review and research articles. In order to achieve this, we propose the formulation of a new type of institutional mandate. We believe that there is substantial need for research funders to invest in sustainable open scholarly infrastructure, and the communities that support them, to avoid the capture and enclosure of key research services that would prevent optimal researcher behaviours. Such a shift could ultimately lead to a healthier scientific culture, and a system where competition is replaced by collaboration, resources (including time and people) are shared and acknowledged more efficiently, and the research becomes inherently more rigorous, verified, and reproducible.