Supramolecular Assembly of Pyrene-DNA Conjugates into Columnar Vesicles

This poster describes the supramolecular assembly of DNA conjugates functionalized with pyrene sticky-ends. After hybridization, the 3’-end modified DNA single strands self-assembled into vesicles with diameters of 50–200 nm. Columnar packed aggregated and multilamellar vesicles were observed by cryo-EM

Development of tsunami early warning systems and future challenges

Fostered by and embedded in the general development of information and communications technology (ICT), the evolution of tsunami warning systems (TWS) shows a significant development from seismic-centred to multi-sensor system architectures using additional sensors (e.g. tide gauges and buoys) for the detection of tsunami waves in the ocean. <br><br> Currently, the beginning implementation of regional tsunami warning infrastructures indicates a new phase in the development of TWS. A new generation of TWS should not only be able to realise multi-sensor monitoring for tsunami detection. Moreover, these systems have to be capable to form a collaborative communication infrastructure of distributed tsunami warning systems in order to implement regional, ocean-wide monitoring and warning strategies. <br><br> In the context of the development of the German Indonesian Tsunami Early Warning System (GITEWS) and in the EU-funded FP6 project Distant Early Warning System (DEWS), a service platform for both sensor integration and warning dissemination has been newly developed and demonstrated. In particular, standards of the Open Geospatial Consortium (OGC) and the Organization for the Advancement of Structured Information Standards (OASIS) have been successfully incorporated. <br><br> In the FP7 project Collaborative, Complex and Critical Decision-Support in Evolving Crises (TRIDEC), new developments in ICT (e.g. complex event processing (CEP) and event-driven architecture (EDA)) are used to extend the existing platform to realise a component-based technology framework for building distributed tsunami warning systems

A Randomized Controlled Trial Study of a Multimodal Intervention vs. Cognitive Training to Foster Cognitive and Affective Health in Older Adults.

Research over the past few decades has shown the positive influence that cognitive, social, and physical activities have on older adults' cognitive and affective health. Especially interventions in health-related behaviors, such as cognitive activation, physical activity, social activity, nutrition, mindfulness, and creativity, have shown to be particularly beneficial. Whereas most intervention studies apply unimodal interventions, such as cognitive training (CT), this study investigates the potential to foster cognitive and affective health factors of older adults by means of an autonomy-supportive multimodal intervention (MMI). The intervention integrates everyday life recommendations for six evidence-based areas combined with psychoeducational information. This randomized controlled trial study compares the effects of a MMI and CT on those of a waiting control group (WCG) on cognitive and affective factors, everyday life memory performance, and activity in everyday life. Three groups, including a total of 119 adults aged 65-86 years, attended a 5- or 10-week intervention. Specifically, one group completed a 10-week MMI, the second group completed 5-week of computer-based CT followed by a 5-week MMI, whereas the third group paused before completing the MMI for the last 5 weeks. All participants completed online surveys and cognitive tests at three test points. The findings showed an increase in the number and variability of activities in the everyday lives of all participants. Post hoc analysis on cognitive performance of MMI to CT indicate similar (classic memory and attention) or better (working memory) effects. Furthermore, results on far transfer variables showed interesting trends in favor of the MMI, such as increased well-being and attitude toward the aging brain. Also, the MMI group showed the biggest perceived improvements out of all groups for all self-reported personal variables (memory in everyday life and stress). The results implicate a positive trend toward MMI on cognitive and affective factors of older adults. These tendencies show the potential of a multimodal approach compared to training a specific cognitive function. Moreover, the findings suggest that information about MMI motivates participants to increase activity variability and frequency in everyday life. Finally, the results could also have implications for the primary prevention of neurocognitive deficits and degenerative diseases

Self-Assembled Molecular-Electronic Films Controlled by Room Temperature Quantum Interference

If single-molecule, room-temperature, quantum interference (QI) effects could be translated into massively parallel arrays of molecules located between planar electrodes, QI-controlled molecular transistors would become available as building blocks for future electronic devices. Here, we demonstrate unequivocal signatures of room-temperature QI in vertical tunneling transistors, formed from self-assembled monolayers (SAMs), with stable room-temperature switching operations. As a result of constructive QI effects, the conductances of the junctions formed from anthanthrene-based molecules with two different connectivities differ by a factor of 34, which can further increase to 173 by controlling the molecule-electrode interface with different terminal groups. Field-effect control is achieved using an ionic liquid gate, whose strong vertical electric field penetrates through the graphene layer and tunes the energy levels of the SAMs. The resulting room-temperature on-off current ratio of the lowest-conductance SAMs can reach up to 306, about one order of magnitude higher than that of the highest-conductance SAMs

OpenFermion: The Electronic Structure Package for Quantum Computers

Quantum simulation of chemistry and materials is predicted to be an important application for both near-term and fault-tolerant quantum devices. However, at present, developing and studying algorithms for these problems can be difficult due to the prohibitive amount of domain knowledge required in both the area of chemistry and quantum algorithms. To help bridge this gap and open the field to more researchers, we have developed the OpenFermion software package (www.openfermion.org). OpenFermion is an open-source software library written largely in Python under an Apache 2.0 license, aimed at enabling the simulation of fermionic models and quantum chemistry problems on quantum hardware. Beginning with an interface to common electronic structure packages, it simplifies the translation between a molecular specification and a quantum circuit for solving or studying the electronic structure problem on a quantum computer, minimizing the amount of domain expertise required to enter the field. The package is designed to be extensible and robust, maintaining high software standards in documentation and testing. This release paper outlines the key motivations behind design choices in OpenFermion and discusses some basic OpenFermion functionality which we believe will aid the community in the development of better quantum algorithms and tools for this exciting area of research.Comment: 22 page

The evolution of disaster early warning systems in the TRIDEC project

The TRIDEC project (Collaborative, Complex, and Critical Decision Processes in Evolving Crises) focuses on real-time intelligent information management in the Earth management domain and its long-term applications. It is funded under the European Union’s seventh Framework Programme (FP7). The TRIDEC software framework is applied in two application environments, which include industrial subsurface drilling (ISD) and natural crisis management (NCM). For each domain, three consecutive demonstrators with extended capabilities are developed and field-tested during the projects lifespan. This article focuses on the technical advances achieved by the light-, mid- and heavyweight NCM demonstrators for Tsunami Early Warning

Supramolecular Assembly of Pyrene-DNA Conjugates into Vesicles

Over the last two decades, supramolecular polymers have been successfully used for the assembly of organized molecular arrays. Complementary DNA strands create a defined arrangement upon hybridizing and the obtained DNA framework can be exploited for the introduction of modifications at spatially controlled places of the supramolecular assemblies. In previous work, assemblies containing DNA were decorated with sticky ends containing polyaromatic hydrocarbons (PAH). Our group observed light-harvesting properties in supramolecular vesicles assembled from phenanthrene-DNA conjugates.[1] In addition, aggregation-induced emission (AIE) type chromophores were introduced as sticky ends forming AIE-active supramolecular assemblies using E-tetraphenylethylenes instead of phenanthrene.[2] In this work, 2,7-pyrene (Figure 1A), 1,6-pyrene, and 1,8-pyrene was investigated as stick end modification to DNA. AFM studies of 2,7-pyrene reveal the self-assembly of the conjugates into spherical objects (Figure 1B). Similar results were obtained for DNA-conjugates of the 1,6-pyrene and 1,8-pyrene isomers. In addition to AFM studies, fluorescence and UV-vis spectroscopy will be presented and discussed

Synthesis and Characterisation of Metallo-Porphyrin Dyads

In comparison to other chromophores, porphyrins show very distinct photophysical and electrochemical features. Their redox and optical properties can easily be tuned by substitutions on the central porphyrin core, as well as by the insertion of a different metal ion in the cavity.[1–3] In this work, we have prepared four different dyads (Figure 1), where two metalloporphyrin units are connected either directly or via a phenylene linker at their meso-positions. A discrepancy in electronic and Coulombic interactions between two porphyrin cores is unambiguously demonstrated by cyclic voltammetry, UV-Vis absorption and fluorescence emission spectra. All these results will be presented and discussed in the virtual poster video

A donor-acceptor ensemble: merging of TTF and dipyrrolylquinoxaline difluoroborate chemistry

Tetrathiafulvalene(TTF)-fused donor-acceptor (D–A) ensembles are of high interest due to their unique (opto)electronic properties and potential applications in organic conductors, photovoltaics, sensors, switches and molecular electronics. A direct annulation of a TTF with a variety of electron-acceptors has been achieved for studying photo-induced intramolecular charge transfer (ICT) as well as the photogeneration of long-lived charge separated states in resultant D-A systems. Herein, we describe redox and optical properties of a new D–A ensemble (Chart 1) which was prepared by complexation of BF2 with a TTF-fused 2,3-di(1H-2-pyrrolyl)quinoxaline ligand. A detailed experimental and theoretical study of an ICT process in TTF-QB is presented