This is raw data for the publication “Host-guest Chemistry Meets Electrocatalysis: Cucurbit[6]uril on a Au Surface as Hybrid System in CO2 Reduction”. It includes All raw data for figures contained in the manuscript under the following DOI: 10.1021/acscatal.9b04221 Types of data/experiments: Animations/Schematics, Infrared Transmission spectroscopy, Fluorescence spectroscopy, Density Functional Theory computations, Molecular Dynamics computations, Surface-enhanced infrared spectroscopy, electrocatalysis with in-line gas chromatography, nuclear magnetic resonance spectroscopy, Quartz-crystal microbalance with dissipation measurements, X-Ray Photoelectron Spectroscopy
Preoperative bone scintigraphy of the femoral head in 33 hips with slipped capital femoral epiphysis, showed no relation to duration of symptoms or degree of slip. The preoperative uptake was always normal or increased. Two hips had postoperative femoral head uptake below normal, both had complications affecting the vascular supply, resulting in necrosis of the femoral head and severe arthrosis. At follow-up after 10 (5-15) years of 28 hips, no relation could be demonstrated between Adolescent Hip Questionnaire which included clinical data, and radiography or magnetic resonance imaging. We only recommend scintigraphy after complications jeopardizing the vascular supply of the femoral head in slipped capital femoral epiphysis.
Christoph Schnedermann opened a discussion of the paper by Burkhard König: In a broader context, it would be desirable to move towards a more holistic approach by simultaneously optimising the reaction yield and reducing the required photon input. Could you comment on the quantum yields you obs
Scope 1, 2, and 3 net zero is a major technological challenge for the chemical industry in Japan, but a failure or even a delay in achieving this goal could result in exclusion from international financing and supply chains. This study presents, for the first time to the best of our knowledge, multiple quantitative pathways from today until 2050 for the chemical industry operating in Japan to reach scope 1, 2, and 3 net zero, using a demand-supply model. Through these pathways, this study aims to provide fundamental and strategic insights into necessary actions for net zero. We demonstrate that, amid possible demand reduction through population decline and advances in circularity, securing access to bio-based feedstock as well as carbon capture and storage (CCS) is essential to avoid a supply limit that could be imposed under scope 3 net zero. Given the uncertainty of Japan's access to both, the chemical industry should pursue both concurrently, while maximizing recycling. Specifically, it should secure long-term and stable sources of sustainable bio-based feedstock and aid in implementing carbon dioxide capture from incinerators in waste management. These implications could also apply to chemical industries in other countries and regions with similar constraints.
Abstract Recombination causes long jumps through a vast genotype space. Because different regions of this space contain different novel phenotypes, recombination can thus greatly facilitate the exploration of novel phenotypes. At the same time, however, these long jumps may often destroy a parental, well-adapted phenotype. This is a major problem in understanding recombination's role in evolutionary innovation. Based on evidence from proteins and regulatory circuits, this chapter shows that this problem is much less severe than one might think. First, recombination causes much weaker effects than mutation, because it exchanges system parts that are compatible with a given phenotype. Second, past exposure of a system to recombination can dramatically increase the system's robustness to recombination. It may cause the vast majority of recombinants to preserve their parental phenotype, and thus eliminate the problem that recombination destroys well-adapted phenotypes.
The rational control of forming and stabilizing reaction intermediates to guide specific reaction pathways remains to be a major challenge in electrocatalysis. In this work, we report a surface active-site engineering approach for modulating electrocatalytic CO2 reduction using the macrocycle cucurbit[6]uril (CB[6]). A pristine gold surface functionalized with CB[6] nanocavities was studied as a hybrid organic-inorganic model system that utilizes host-guest chemistry to influence the heterogeneous electrocatalytic reaction. The combination of surface-enhanced infrared absorption (SEIRA) spectroscopy and electrocatalytic experiments in conjunction with theoretical calculations supports capture and reduction of CO2 inside the hydrophobic cavity of CB[6] on the gold surface in aqueous KHCO3 at negative potentials. SEIRA spectroscopic experiments show that the decoration of gold with the supramolecular host CB[6] leads to an increased local CO2 concentration close to the metal interface. Electrocatalytic CO2 reduction on a CB[6]-coated gold electrode indicates differences in the specific interactions between CO2 reduction intermediates within and outside the CB[6] molecular cavity, illustrated by a decrease in current density from CO generation, but almost invariant H2 production compared to unfunctionalized gold. The presented methodology and mechanistic insight can guide future design of molecularly engineered catalytic environments through interfacial host-guest chemistry.
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