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- ItemInferring causation from time series in Earth system sciences([London] : Nature Publishing Group UK, 2019) Runge, Jakob; Bathiany, Sebastian; Bollt, Erik; Camps-Valls, Gustau; Coumou, Dim; Deyle, Ethan; Glymour, Clark; Kretschmer, Marlene; Mahecha, Miguel D.; Muñoz-Marí, Jordi; van Nes, Egbert H.; Peters, Jonas; Quax, Rick; Reichstein, Markus; Scheffer, Marten; Schölkopf, Bernhard; Spirtes, Peter; Sugihara, George; Sun, Jie; Zhang, Kun; Zscheischler, JakobThe heart of the scientific enterprise is a rational effort to understand the causes behind the phenomena we observe. In large-scale complex dynamical systems such as the Earth system, real experiments are rarely feasible. However, a rapidly increasing amount of observational and simulated data opens up the use of novel data-driven causal methods beyond the commonly adopted correlation techniques. Here, we give an overview of causal inference frameworks and identify promising generic application cases common in Earth system sciences and beyond. We discuss challenges and initiate the benchmark platform causeme.net to close the gap between method users and developers. © 2019, The Author(s).
- ItemInner solar system material discovered in the Oort cloud(Washington, DC [u.a.] : Assoc., 2016) Meech, Karen J.; Yang, Bin; Kleyna, Jan; Hainaut, Olivier R.; Berdyugina, Svetlana; Keane, Jacqueline V.; Micheli, Marco; Morbidelli, Alessandro; Wainscoat, Richard J.We have observed C/2014 S3 (PANSTARRS), a recently discovered object on a cometary orbit coming from the Oort cloud that is physically similar to an inner main belt rocky S-type asteroid. Recent dynamical models successfully reproduce the key characteristics of our current solar system; some of these models require significant migration of the giant planets, whereas others do not. These models provide different predictions on the presence of rocky material expelled from the inner solar system in the Oort cloud. C/2014 S3 could be the key to verifying these predictions of the migration-based dynamical models. Furthermore, this object displays a very faint, weak level of comet-like activity, five to six orders of magnitude less than that of typical ice-rich comets on similar Orbits coming from the Oort cloud. For the nearly tailless appearance, we are calling C/2014 S3 a Manx object. Various arguments convince us that this activity is produced by sublimation of volatile ice, that is, normal cometary activity. The activity implies that C/2014 S3 has retained a tiny fraction of the water that is expected to be present at its formation distance in the inner solar system. We may be looking at fresh inner solar system Earth-forming material that was ejected from the inner solar system and preserved for billions of years in the Oort cloud.
- ItemFemtosecond laser induced step-like structures inside transparent hydrogel due to laser induced threshold reduction(San Francisco, California, US : PLOS, 2019) Saerchen, Emanuel; Liedtke-Gruener, Susann; Kopp, Maximilian; Heisterkamp, Alexander; Lubatschowski, Holger; Ripken, TammoIn the area of laser material processing, versatile applications for cutting glasses and transparent polymers exist. However, parasitic effects such as the creation of step-like structures appear when laser cutting inside a transparent material. To date, these structures were only described empirically. This work establishes the physical and chemical mechanisms behind the observed effects and describes the influence of process and material parameters onto the creation of step-like structures in hydrogel, Dihydroxyethylmethacrylat (HEMA). By focusing laser pulses in HEMA, reduced pulse separation distance below 50 nm and rise in pulse energy enhances the creation of unintended step-like structures. Spatial resolved Raman-spectroscopy was used to measure the laser induced chemical modification, which results into a reduced breakdown threshold. The reduction in threshold influences the position of optical breakdown for the succeeding laser pulses and consequently leads to the step-like structures. Additionally, the experimental findings were supplemented with numerical simulations of the influence of reduced damage threshold onto the position of optical breakdown.
- ItemUltrasmall SnO₂ nanocrystals: hot-bubbling synthesis, encapsulation in carbon layers and applications in high capacity Li-ion storage([London] : Macmillan Publishers Limited, part of Springer Nature, 2014) Ding, Liping; He, Shulian; Miao, Shiding; Jorgensen, Matthew R.; Leubner, Susanne; Yan, Chenglin; Hickey, Stephen G.; Eychmüller, Alexander; Xu, Jinzhang; Schmidt, Oliver G.Ultrasmall SnO2 nanocrystals as anode materials for lithium-ion batteries (LIBs) have been synthesized by bubbling an oxidizing gas into hot surfactant solutions containing Sn-oleate complexes. Annealing of the particles in N2 carbonifies the densely packed surface capping ligands resulting in carbon encapsulated SnO2 nanoparticles (SnO2/C). Carbon encapsulation can effectively buffer the volume changes during the lithiation/delithiation process. The assembled SnO2/C thus deliver extraordinarily high reversible capacity of 908 mA·h·g−1 at 0.5 C as well as excellent cycling performance in the LIBs. This method demonstrates the great potential of SnO2/C nanoparticles for the design of high power LIBs.
- ItemCation-cation clusters in ionic liquids: Cooperative hydrogen bonding overcomes like-charge repulsion([London] : Macmillan Publishers Limited, part of Springer Nature, 2015) Knorr, Anne; Ludwig, RalfDirect spectroscopic evidence for H-bonding between like-charged ions is reported for the ionic liquid, 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate. New infrared bands in the OH frequency range appear at low temperatures indicating the formation of H-bonded cation-cation clusters similar to those known for water and alcohols. Supported by DFT calculations, these vibrational bands can be assigned to attractive interaction between the hydroxyl groups of the cations. The repulsive Coulomb interaction is overcome by cooperative hydrogen bonding between ions of like charge. The transition energy from purely cation-anion interacting configurations to those including cation-cation H-bonds is determined to be 3–4 kJmol−1. The experimental findings and DFT calculations strongly support the concept of anti-electrostatic hydrogen bonds (AEHBs) as recently suggested by Weinhold and Klein. The like-charge configurations are kinetically stabilized with decreasing temperatures.
- ItemMagnetic domain wall gratings for magnetization reversal tuning and confined dynamic mode localization([London] : Macmillan Publishers Limited, part of Springer Nature, 2016) Trützschler, Julia; Sentosun, Kadir; Mozooni, Babak; Mattheis, Roland; McCord, JeffreyHigh density magnetic domain wall gratings are imprinted in ferromagnetic-antiferromagnetic thin films by local ion irradiation by which alternating head-to-tail-to-head-to-tail and head-to-head-to-tail-to-tail spatially overlapping domain wall networks are formed. Unique magnetic domain processes result from the interaction of anchored domain walls. Non-linear magnetization response is introduced by the laterally distributed magnetic anisotropy phases. The locally varying magnetic charge distribution gives rise to localized and guided magnetization spin-wave modes directly constrained by the narrow domain wall cores. The exchange coupled multiphase material structure leads to unprecedented static and locally modified dynamic magnetic material properties.
- ItemA meta-analysis of catalytic literature data reveals property-performance correlations for the OCM reaction([London] : Nature Publishing Group UK, 2019) Schmack, Roman; Friedrich, Alexandra; Kondratenko, Evgenii V.; Polte, Jörg; Werwatz, Axel; Kraehnert, RalphDecades of catalysis research have created vast amounts of experimental data. Within these data, new insights into property-performance correlations are hidden. However, the incomplete nature and undefined structure of the data has so far prevented comprehensive knowledge extraction. We propose a meta-analysis method that identifies correlations between a catalyst’s physico-chemical properties and its performance in a particular reaction. The method unites literature data with textbook knowledge and statistical tools. Starting from a researcher’s chemical intuition, a hypothesis is formulated and tested against the data for statistical significance. Iterative hypothesis refinement yields simple, robust and interpretable chemical models. The derived insights can guide new fundamental research and the discovery of improved catalysts. We demonstrate and validate the method for the oxidative coupling of methane (OCM). The final model indicates that only well-performing catalysts provide under reaction conditions two independent functionalities, i.e. a thermodynamically stable carbonate and a thermally stable oxide support.
- ItemAbrupt sand-dune accumulation at the northeastern margin of the Tibetan Plateau challenges the wet MIS3a inferred from numerous lake-highstands([London] : Macmillan Publishers Limited, part of Springer Nature, 2016) Long, Hao; Fuchs, Markus; Yang, Linhai; Cheng, HongyiWe report on hollow shell-shell nanogels with two polymer shells that have different volume phase transition temperatures. By means of small angle neutron scattering (SANS) employing contrast variation and molecular dynamics (MD) simulations we show that hollow shell-shell nanocontainers are ideal systems for controlled drug delivery: The temperature responsive swelling of the inner shell controls the uptake and release, while the thermoresponsive swelling of the outer shell controls the size of the void and the colloidal stability. At temperatures between 32 °C < T < 42 °C, the hollow nanocontainers provide a significant void, which is even larger than the initial core size of the template and they possess a high colloidal stability due to the steric stabilization of the swollen outer shell. Computer simulations showed, that temperature induced switching of the permeability of the inner shell allows for the encapsulation in and release of molecules from the cavity.
- ItemWorldwide variations in artificial skyglow([London] : Macmillan Publishers Limited, part of Springer Nature, 2015) Kyba, Christopher C.M.; Tong, Kai Pong; Bennie, Jonathan; Birriel, Ignacio; Birriel, Jennifer J.; Cool, Andrew; Danielsen, Arne; Davies, Thomas W.; den Outer, Peter N.; Edwards, William; Ehlert, Rainer; Falchi, Fabio; Fischer, Jürgen; Giacomelli, Andrea; Giubbilini, Francesco; Haaima, Marty; Hesse, Claudia; Heygster, Georg; Hölker, Franz; Inger, Richard; Jensen, Linsey J.; Kuechly, Helga U.; Kuehn, John; Langill, Phil; Lolkema, Dorien E.; Nagy, Matthew; Nievas, Miguel; Ochi, Nobuaki; Popow, Emil; Posch, Thomas; Puschnig, Johannes; Ruhtz, Thomas; Schmidt, Wim; Schwarz, Robert; Schwope, Axel; Spoelstra, Henk; Tekatch, Anthony; Trueblood, Mark; Walker, Constance E.; Weber, Michael; Welch, Douglas L.; Zamorano, Jaime; Gaston, Kevin J.Despite constituting a widespread and significant environmental change, understanding of artificial nighttime skyglow is extremely limited. Until now, published monitoring studies have been local or regional in scope and typically of short duration. In this first major international compilation of monitoring data we answer several key questions about skyglow properties. Skyglow is observed to vary over four orders of magnitude, a range hundreds of times larger than was the case before artificial light. Nearly all of the study sites were polluted by artificial light. A non-linear relationship is observed between the sky brightness on clear and overcast nights, with a change in behavior near the rural to urban landuse transition. Overcast skies ranged from a third darker to almost 18 times brighter than clear. Clear sky radiances estimated by the World Atlas of Artificial Night Sky Brightness were found to be overestimated by ~25%; our dataset will play an important role in the calibration and ground truthing of future skyglow models. Most of the brightly lit sites darkened as the night progressed, typically by ~5% per hour. The great variation in skyglow radiance observed from site-to-site and with changing meteorological conditions underlines the need for a long-term international monitoring program.
- ItemDiscovery of chitin in skeletons of non-verongiid Red Sea demosponges(San Francisco, California, US : PLOS, 2018) Ehrlich, Hermann; Shaala, Lamiaa A.; Youssef, Diaa T. A.; Żółtowska- Aksamitowska, Sonia; Tsurkan, Mikhail; Galli, Roberta; Meissner, Heike; Wysokowski, Marcin; Petrenko, Iaroslav; Tabachnick, Konstantin R.; Ivanenko, Viatcheslav N.; Bechmann, Nicole; Joseph, Yvonne; Jesionowski, TeofilMarine demosponges (Porifera: Demospongiae) are recognized as first metazoans which have developed over millions of years of evolution effective survival strategies based on unique metabolic pathways to produce both biologically active secondary metabolites and biopolymer-based stiff skeletons with 3D architecture. Up to date, among marine demosponges, only representatives of the Verongiida order have been known to synthetize biologically active substances as well as skeletons made of structural polysaccharide chitin. This work, to our knowledge, demonstrates for the first time that chitin is an important structural component within skeletons of non-verongiid demosponges Acarnus wolffgangi and Echinoclathria gibbosa collected in the Red Sea. Calcofluor white staining, FTIR and Raman analysis, ESI-MS, SEM, and fluorescence microscopy as well as a chitinase digestion assay were applied in order to confirm, with strong evidence, the finding of α-chitin in the skeleton of both species. We suggest that, the finding of chitin within these representatives of Poecilosclerida order is a promising step in the evaluation of these sponges as novel renewable sources for both biologically active metabolites and chitin, which are of prospective application for pharmacology and biomedicine.