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Hydrogen Bonding Competition Mediated Phase Separation with Abnormal Moisture‐Induced Stiffness Boosting
No full textMoisture usually deteriorates polymers’ mechanical performance owing to its plasticizing effect, causing side effects in their practical load-bearing applications. Herein, a simple binary ionogel consisting of an amphiphilic polymer network and a hydrophobic ionic liquid (IL) is developed with remarkable stiffening effect after moisture absorption, demonstrating a complete contrast to water-induced softening effect of most polymer materials. Such a moisture-induced stiffening behavior is induced by phase separation after hydration of this binary ionogel. Specifically, it is revealed that hydrogen (H)-bonding structures play a dominant role in the humidity-responsive behavior of the ionogel, where water will preferentially interact with polymer chains through H-bonding and break the polymer-IL H-bonds, thus leading to phase separation structures with modulus boosting. This work may provide a facile and effective molecular engineering route to construct mechanically adaptive polymers with water-induced dramatic stiffening for diverse applications
Pseudocapacitive behavior in graphene oxide/NiO-polystyrene-block-polyisoprene-block-polystyrene triblock copolymer nanocomposites
No full textJuMonC: A RESTful tool for enabling monitoring and control of simulations at scale
No full textAs systems and simulations grow in size and complexity, it is challenging to maintain efficient use of resources and avoid failures. In this scenario, monitoring becomes even more important and mandatory. This paper describes and discusses the benefits of the advanced monitoring and control tool JuMonC, which runs under user control alongside HPC simulations and provides valuable metrics via REST-API. In addition, plugin extensibility allows JuMonC to go a step further and provide computational steering of the simulation itself. To demonstrate the benefits and usability of JuMonC for large-scale simulations, two use cases are described employing nekRS and ICON on JURECA-DC, a supercomputer located at the Jülich Supercomputing Centre (JSC). Furthermore, a large-scale use case with nekRS on JSC’s flagship system JUWELS Booster is described. Finally, the interplay between JuMonC and LLview (a standard monitoring tool for HPC systems) is presented using a simple and secure JuMonC-LLview plugin, which collects performance metrics and enables their analysis in LLview. Overall, the portability and usefulness of JuMonC, together with its low performance impact, make it an important application for both current and future generations of exascale HPC systems
Deciphering the Therapeutic Potential of Novel Pentyloxyamide-Based Class I, IIb HDAC Inhibitors against Therapy-Resistant Leukemia
No full textSulfur-resistant catalytic NO oxidation over surface-disproportionated CaMnO3 perovskites
No full textTransformationsverträge sind eine Sackgasse
No full textThis article analyses the impact of transformative agreements on the development of the open access landscape. It is shown that, regardless of their potential economic benefits, these transformative agreements do not effectively advance the transformation of the publishing industry because they do not sufficiently promote the flipping of subscription journals into open access journals. The flipping rates of two major publishers (Springer Nature and Wiley) and the results of the cOAlition S ‘Transformative Journals’ programme are examined using various approaches, with the result that the transformation of the majority of journals to open access via transformative agreements would take many decades. As a consequence, the authors call for greater promotion of Diamond Open Access as an alternative to transformation agreements, as well as for critical evaluation of transformation agreements before their renewal
Evolution of Reactive Organic Compounds and Their Potential Health Risk in Wildfire Smoke
No full textThe volume of the subthalamic nucleus in spinocerebellar ataxia type 3: potential relevance for the clinical phenotype and treatment of parkinsonian symptoms with deep brain stimulation
No full textInvestigation and evaluation of formability of thin metallic bipolar plates by stamping process
No full textInsulin amyloid morphology is encoded in H-bonds and electrostatics interactions ruling protein phase separation
No full textIon-protein interactions regulate biological processes and are the basis of key strategies of modulating protein phase diagrams and stability in drug development. Here, we report the mechanisms by which H-bonds and electrostatic interactions in ion-protein systems determine phase separation and amyloid formation. Using microscopy, small-angle X-ray scattering, circular dichroism and atomistic molecular dynamics (MD) simulations, we found that anions specifically interacting with insulin induced phase separation by neutralising the protein charge and forming H-bond bridges between insulin molecules. The same interaction was responsible for an enhanced insulin conformational stability and resistance to oligomerisation. Under aggregation conditions, the anion-protein interaction translated into the activation of a coalescence process, leading to amyloid-like microparticles. This reaction is alternative to conformationally-driven pathways, giving rise to elongated amyloid-like fibrils and occurs in the absence of preferential ion-protein binding. Our findings depict a unifying scenario in which common interactions dictated both phase separation at low temperatures and the occurrence of pronounced heterogeneity in the amyloid morphology at high temperatures, similar to what has previously been reported for protein crystal growth