Untersuchung einer Wasserstoff‐π Wechselwirkung in einem eingeschlossenen Wassermolekül im Festkörper

Der Nachweis und die Charakterisierung von eingeschlossenen Wassermolekülen in chemischen Gebilden und Biomakromolekülen ist weiterhin eine Herausforderung für feste Materialien. Wir präsentieren hier Protonen-detektierte Festkörper-Kernspinresonanzspektroskopie (NMR) Experimente bei Rotationsfrequenzen von 100 kHz um den magischen Winkel und bei hohen statischen Magnetfeldstärken (28.2 T), die den Nachweis eines einzelnen Wassermoleküls ermöglichen, das im Calix[4]aren-Hohlraum eines Lanthan-Komplexes durch eine Kombination von drei Arten nicht-kovalenter Wechselwirkungen fixiert ist. Die Protonenresonanzen des Wassers werden bei einer chemischen Verschiebung nahe Null ppm nachgewiesen, was wir durch quantenchemische Berechnungen bestätigen. Berechnungen mit der Dichtefunktionaltheorie zeigen, wie empfindlich der Wert der chemischen Verschiebung der Protonen auf Wasserstoff-π-Wechselwirkungen reagiert. Unsere Studie unterstreicht, wie sich die Protonen-detektierte Festkörper NMR zur Methode der Wahl für die Untersuchung schwacher nicht-kovalenter Wechselwirkungen entwickelt, die einen ganzen Zweig molekularer Erkennungsvorgänge in der Chemie und Biologie bestimmen

Future Work Lab: Successful production work of tomorrow - experience, feel and shape: Poster presented at the De Lange Conference on Humans, Machines, and the Future of Work 2016, December 5-6, 2016, Houston, Texas

Our working environment is changing. In recent years Internet and mobile technologies have begun to change our lives and working conditions fundamentally. The progressive development of information and communication technology (ICT) has ensured powerful embedded systems as well as affordable sensors and actuators in many parts of the industry. "Industrie 4.0" is the slogan in Germany/Europe under which current developments are discussed towards a manufacturing environment made up of intelligent, self-controlling objects that interconnect temporarily to perform certain tasks. The benefits of digitized work and life are already recognized by employees, companies and social partners, what speeds up the development. But how exactly will the future of industrial work be organized? Major areas of the design of industrial work for the future are the human-centered design of technology as well as the interpretation of the interaction between humans and technology. Furthermore, the conditions in terms of working flexibility, work-life balance and employees’ participation must be considered. The consideration of the demands on qualifications and new digital work skills is critical for a successful design of future work situations. In the Project FUTURE WORK LAB, which is funded by the German Federal Ministry of Education and Research, a new innovation lab for work, people and technology, the FUTURE WORK LAB, is designed and established in Stuttgart, Germany. This innovative Lab makes the design of future work visible, tangible and perceptible. For tangible demonstrators of the technical possibilities of digitalization and automation in the core areas of manufacturing work different courses are implemented in a demonstration center. Course 1 "Today +" shows operational applications for the demonstration of today’s industrial work. This course represents the state of the art in the field of industrialized and modern small and medium sized companies (lean production, lean systems, integrated production systems). Two other courses show operational applications for digitization and intelligent automation of industrial work envisioned for the year 2025. They contain different demonstrators between the poles of “technology -centered automation” and “human -centered specialization”, which may become standard in the manufacturing industry around 2025. In addition to this demonstration center sensitization, training, benefits and representation of the social dialogue of sustainable work systems occurs in a skills development center. The third column of the FUTURE WORK LAB provides an idea center which is designed as platform for technology-related research and academic discussion of the changes of future industrial work. Realized, the FUTURE WORK LAB represents an innovative laboratory, which makes the design of future-oriented working concepts transparent for companies, employees, trade unions and all other stakeholders. The lab integrates the demonstration of certain industry 4.0 applications with competence development to the integration of the current state of labor research. For this, the FUTURE WORK LAB holds both an attractive demonstrator field and an innovative training and seminar program which can be used by companies, associations, trade unions and employees. Furthermore, the academically oriented part of the lab is developing new research content. This enables the linkage of future research perspectives on new projects and research programs

Learning and information at the workplace as shown in the future work lab

With the Future Work Lab, the Fraunhofer Institutes IAO and IPA opened a center that lets visitors experience the future of manufacturing. With this paper, we highlight some tangible demonstrators in the area of learning and information at the workplace and make a brief comparison of different digital assistance systems in this brand new innovation lab for work, people and technology on the Fraunhofer Campus in Stuttgart. Furthermore we discuss the feedback from the various public events and guided tours through the lab and finish with some open issues to be covered in future

Probing a hydrogen‐π interaction involving a trapped water molecule in the solid state

The detection and characterization of trapped water molecules in chemical entities and biomacromolecules remains a challenging task for solid materials. We herein present proton-detected solid-state Nuclear Magnetic Resonance (NMR) experiments at 100 kHz magic-angle spinning and at high static magnetic-field strengths (28.8 T) enabling the detection of a single water molecule fixed in the calix[4]arene cavity of a lanthanide complex by a combination of three types of non-covalent interactions. The water proton resonances are detected at a chemical-shift value close to zero ppm, which we further confirm by quantum-chemical calculations. Density Functional Theory calculations pinpoint to the sensitivity of the proton chemical-shift value for hydrogen-π interactions. Our study highlights how proton-detected solid-state NMR is turning into the method-of-choice in probing weak non-covalent interactions driving a whole branch of molecular-recognition events in chemistry and biology

Five novel mutations in the SCNN1A gene causing autosomal recessive pseudohypoaldosteronism type 1

Background: Pseudohypoaldosteronism type 1 (PHA1) is a monogenic disease caused by mutations in the genes encoding the human mineralocorticoid receptor (MR) or the alpha (SCNN1A), beta (SCNN1B) or gamma (SCNN1G) subunit of the epithelial Na+ channel (ENaC). While autosomal dominant mutation of the MR cause renal PHA1, autosomal recessive mutations of the ENaC lead to systemic PHA1. In the latter, affected children suffer from neonatal onset of multi-organ salt loss and often exhibit cystic fibrosis-like pulmonary symptoms