@inproceedings{CurzonKalasSchubertetal.2015, author = {Curzon, Paul and Kalas, Ivan and Schubert, Sigrid and Schaper, Niclas and Barnes, Jan and Kennewell, Steve and Br{\"o}ker, Kathrin and Kastens, Uwe and Magenheim, Johannes and Dagiene, Valentina and Stupuriene, Gabriele and Ellis, Jason Brent and Abreu-Ellis, Carla Reis and Grillenberger, Andreas and Romeike, Ralf and Haugsbakken, Halvdan and Jones, Anthony and Lewin, Cathy and McNicol, Sarah and Nelles, Wolfgang and Neugebauer, Jonas and Ohrndorf, Laura and Schaper, Niclas and Schubert, Sigrid and Opel, Simone and Kramer, Matthias and Trommen, Michael and Pottb{\"a}cker, Florian and Ilaghef, Youssef and Passig, David and Tzuriel, David and Kedmi, Ganit Eshel and Saito, Toshinori and Webb, Mary and Weigend, Michael and Bottino, Rosa and Chioccariello, Augusto and Christensen, Rhonda and Knezek, Gerald and Gioko, Anthony Maina and Angondi, Enos Kiforo and Waga, Rosemary and Ohrndorf, Laura and Or-Bach, Rachel and Preston, Christina and Younie, Sarah and Przybylla, Mareen and Romeike, Ralf and Reynolds, Nicholas and Swainston, Andrew and Bendrups, Faye and Sysło, Maciej M. and Kwiatkowska, Anna Beata and Zieris, Holger and Gerstberger, Herbert and M{\"u}ller, Wolfgang and B{\"u}chner, Steffen and Opel, Simone and Schiller, Thomas and Wegner, Christian and Zender, Raphael and Lucke, Ulrike and Diethelm, Ira and Syrbe, J{\"o}rn and Lai, Kwok-Wing and Davis, Niki and Eickelmann, Birgit and Erstad, Ola and Fisser, Petra and Gibson, David and Khaddage, Ferial and Knezek, Gerald and Micheuz, Peter and Kloos, Carlos Delgado}, title = {KEYCIT 2014}, editor = {Brinda, Torsten and Reynolds, Nicholas and Romeike, Ralf and Schwill, Andreas}, publisher = {Universit{\"a}tsverlag Potsdam}, address = {Potsdam}, isbn = {978-3-86956-292-6}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-70325}, pages = {438}, year = {2015}, abstract = {In our rapidly changing world it is increasingly important not only to be an expert in a chosen field of study but also to be able to respond to developments, master new approaches to solving problems, and fulfil changing requirements in the modern world and in the job market. In response to these needs key competencies in understanding, developing and using new digital technologies are being brought into focus in school and university programmes. The IFIP TC3 conference "KEYCIT - Key Competences in Informatics and ICT (KEYCIT 2014)" was held at the University of Potsdam in Germany from July 1st to 4th, 2014 and addressed the combination of key competencies, Informatics and ICT in detail. The conference was organized into strands focusing on secondary education, university education and teacher education (organized by IFIP WGs 3.1 and 3.3) and provided a forum to present and to discuss research, case studies, positions, and national perspectives in this field.}, language = {en} } @article{ArridgeAchilleosAgarwaletal.2014, author = {Arridge, Christopher S. and Achilleos, N. and Agarwal, Jessica and Agnor, C. B. and Ambrosi, R. and Andre, N. and Badman, S. V. and Baines, K. and Banfield, D. and Barthelemy, M. and Bisi, M. M. and Blum, J. and Bocanegra-Bahamon, T. and Bonfond, B. and Bracken, C. and Brandt, P. and Briand, C. and Briois, C. and Brooks, S. and Castillo-Rogez, J. and Cavalie, T. and Christophe, B. and Coates, Andrew J. and Collinson, G. and Cooper, J. F. and Costa-Sitja, M. and Courtin, R. and Daglis, I. A. and De Pater, Imke and Desai, M. and Dirkx, D. and Dougherty, M. K. and Ebert, R. W. and Filacchione, Gianrico and Fletcher, Leigh N. and Fortney, J. and Gerth, I. and Grassi, D. and Grodent, D. and Gr{\"u}n, Eberhard and Gustin, J. and Hedman, M. and Helled, R. and Henri, P. and Hess, Sebastien and Hillier, J. K. and Hofstadter, M. H. and Holme, R. and Horanyi, M. and Hospodarsky, George B. and Hsu, S. and Irwin, P. and Jackman, C. M. and Karatekin, O. and Kempf, Sascha and Khalisi, E. and Konstantinidis, K. and Kruger, H. and Kurth, William S. and Labrianidis, C. and Lainey, V. and Lamy, L. L. and Laneuville, Matthieu and Lucchesi, D. and Luntzer, A. and MacArthur, J. and Maier, A. and Masters, A. and McKenna-Lawlor, S. and Melin, H. and Milillo, A. and Moragas-Klostermeyer, Georg and Morschhauser, Achim and Moses, J. I. and Mousis, O. and Nettelmann, N. and Neubauer, F. M. and Nordheim, T. and Noyelles, B. and Orton, G. S. and Owens, Mathew and Peron, R. and Plainaki, C. and Postberg, F. and Rambaux, N. and Retherford, K. and Reynaud, Serge and Roussos, E. and Russell, C. T. and Rymer, Am. and Sallantin, R. and Sanchez-Lavega, A. and Santolik, O. and Saur, J. and Sayanagi, Km. and Schenk, P. and Schubert, J. and Sergis, N. and Sittler, E. C. and Smith, A. and Spahn, Frank and Srama, Ralf and Stallard, T. and Sterken, V. and Sternovsky, Zoltan and Tiscareno, M. and Tobie, G. and Tosi, F. and Trieloff, M. and Turrini, D. and Turtle, E. P. and Vinatier, S. and Wilson, R. and Zarkat, P.}, title = {The science case for an orbital mission to Uranus: Exploring the origins and evolution of ice giant planets}, series = {Planetary and space science}, volume = {104}, journal = {Planetary and space science}, publisher = {Elsevier}, address = {Oxford}, issn = {0032-0633}, doi = {10.1016/j.pss.2014.08.009}, pages = {122 -- 140}, year = {2014}, abstract = {Giant planets helped to shape the conditions we see in the Solar System today and they account for more than 99\% of the mass of the Sun's planetary system. They can be subdivided into the Ice Giants (Uranus and Neptune) and the Gas Giants (Jupiter and Saturn), which differ from each other in a number of fundamental ways. Uranus, in particular is the most challenging to our understanding of planetary formation and evolution, with its large obliquity, low self-luminosity, highly asymmetrical internal field, and puzzling internal structure. Uranus also has a rich planetary system consisting of a system of inner natural satellites and complex ring system, five major natural icy satellites, a system of irregular moons with varied dynamical histories, and a highly asymmetrical magnetosphere. Voyager 2 is the only spacecraft to have explored Uranus, with a flyby in 1986, and no mission is currently planned to this enigmatic system. However, a mission to the uranian system would open a new window on the origin and evolution of the Solar System and would provide crucial information on a wide variety of physicochemical processes in our Solar System. These have clear implications for understanding exoplanetary systems. In this paper we describe the science case for an orbital mission to Uranus with an atmospheric entry probe to sample the composition and atmospheric physics in Uranus' atmosphere. The characteristics of such an orbiter and a strawman scientific payload are described and we discuss the technical challenges for such a mission. This paper is based on a white paper submitted to the European Space Agency's call for science themes for its large-class mission programme in 2013.}, language = {en} } @article{VermaDenkerBalthasaretal.2016, author = {Verma, Meetu and Denker, Carsten and Balthasar, H. and Kuckein, Christoph and Gonz{\´a}lez Manrique, Sergio Javier and Sobotka, M. and Gonzalez, N. Bello and Hoch, S. and Diercke, Andrea and Kummerow, Philipp and Berkefeld, T. and Collados Vera, M. and Feller, A. and Hofmann, A. and Kneer, F. and Lagg, A. and L{\"o}hner-B{\"o}ttcher, J. and Nicklas, H. and Pastor Yabar, A. and Schlichenmaier, R. and Schmidt, D. and Schmidt, W. and Schubert, M. and Sigwarth, M. and Solanki, S. K. and Soltau, D. and Staude, J. and Strassmeier, Klaus G. and Volkmer, R. and von der L{\"u}he, O. and Waldmann, T.}, title = {Horizontal flow fields in and around a small active region The transition period between flux emergence and decay}, series = {Polymers}, volume = {596}, journal = {Polymers}, publisher = {EDP Sciences}, address = {Les Ulis}, issn = {1432-0746}, doi = {10.1051/0004-6361/201628380}, pages = {12}, year = {2016}, abstract = {Context. The solar magnetic field is responsible for all aspects of solar activity. Thus, emergence of magnetic flux at the surface is the first manifestation of the ensuing solar activity. Aims. Combining high-resolution and synoptic observations aims to provide a comprehensive description of flux emergence at photospheric level and of the growth process that eventually leads to a mature active region. Methods. The small active region NOAA 12118 emerged on 2014 July 17 and was observed one day later with the 1.5-m GREGOR solar telescope on 2014 July 18. High-resolution time-series of blue continuum and G-band images acquired in the blue imaging channel (BIC) of the GREGOR Fabry-Perot Interferometer (GFPI) were complemented by synoptic line-of-sight magnetograms and continuum images obtained with the Helioseismic and Magnetic Imager (HMI) onboard the Solar Dynamics Observatory (SDO). Horizontal proper motions and horizontal plasma velocities were computed with local correlation tracking (LCT) and the differential affine velocity estimator (DAVE), respectively. Morphological image processing was employed to measure the photometric and magnetic area, magnetic flux, and the separation profile of the emerging flux region during its evolution. Results. The computed growth rates for photometric area, magnetic area, and magnetic flux are about twice as high as the respective decay rates. The space-time diagram using HMI magnetograms of five days provides a comprehensive view of growth and decay. It traces a leaf-like structure, which is determined by the initial separation of the two polarities, a rapid expansion phase, a time when the spread stalls, and a period when the region slowly shrinks again. The separation rate of 0.26 km s(-1) is highest in the initial stage, and it decreases when the separation comes to a halt. Horizontal plasma velocities computed at four evolutionary stages indicate a changing pattern of inflows. In LCT maps we find persistent flow patterns such as outward motions in the outer part of the two major pores, a diverging feature near the trailing pore marking the site of upwelling plasma and flux emergence, and low velocities in the interior of dark pores. We detected many elongated rapidly expanding granules between the two major polarities, with dimensions twice as large as the normal granules.}, language = {en} } @article{SchubertJonssonChangetal.2014, author = {Schubert, Mikkel and Jonsson, Hakon and Chang, Dan and Sarkissian, Clio Der and Ermini, Luca and Ginolhac, Aurelien and Albrechtsen, Anders and Dupanloup, Isabelle and Foucal, Adrien and Petersen, Bent Larsen and Fumagalli, Matteo and Raghavan, Maanasa and Seguin-Orlando, Andaine and Korneliussen, Thorfinn S. and Velazquez, Amhed M. V. and Stenderup, Jesper and Hoover, Cindi A. and Rubin, Carl-Johan and Alfarhan, Ahmed H. and Alquraishi, Saleh A. and Al-Rasheid, Khaled A. S. and MacHugh, David E. and Kalbfleisch, Ted and MacLeod, James N. and Rubin, Edward M. and Sicheritz-Ponten, Thomas and Andersson, Leif and Hofreiter, Michael and Marques-Bonet, Tomas and Gilbert, M. Thomas P. and Nielsen, Rasmus and Excoffier, Laurent and Willerslev, Eske and Shapiro, Beth and Orlando, Ludovic}, title = {Prehistoric genomes reveal the genetic foundation and cost of horse domestication}, series = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {111}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, number = {52}, publisher = {National Acad. of Sciences}, address = {Washington}, issn = {0027-8424}, doi = {10.1073/pnas.1416991111}, pages = {E5661 -- E5669}, year = {2014}, language = {en} } @article{KellerWetterhornVecellioetal.2019, author = {Keller, Sebastian and Wetterhorn, Karl M. and Vecellio, Alison and Seeger, Mark and Rayment, Ivan and Schubert, Torsten}, title = {Structural and functional analysis of an l-serine O-phosphate decarboxylase involved in norcobamide biosynthesis}, series = {FEBS letters : the journal for rapid publication of short reports in molecular biosciences}, volume = {593}, journal = {FEBS letters : the journal for rapid publication of short reports in molecular biosciences}, number = {21}, publisher = {Wiley}, address = {Hoboken}, issn = {0014-5793}, doi = {10.1002/1873-3468.13543}, pages = {3040 -- 3053}, year = {2019}, abstract = {Structural diversity of natural cobamides (Cbas, B12 vitamers) is limited to the nucleotide loop. The loop is connected to the cobalt-containing corrin ring via an (R)-1-aminopropan-2-ol O-2-phosphate (AP-P) linker moiety. AP-P is produced by the l-threonine O-3-phosphate (l-Thr-P) decarboxylase CobD. Here, the CobD homolog SMUL_1544 of the organohalide-respiring epsilonproteobacterium Sulfurospirillum multivorans was characterized as a decarboxylase that produces ethanolamine O-phosphate (EA-P) from l-serine O-phosphate (l-Ser-P). EA-P is assumed to serve as precursor of the linker moiety of norcobamides that function as cofactors in the respiratory reductive dehalogenase. SMUL_1544 (SmCobD) is a pyridoxal-5′-phosphate (PLP)-containing enzyme. The structural analysis of the SmCobD apoprotein combined with the characterization of truncated mutant proteins uncovered a role of the SmCobD N-terminus in efficient l-Ser-P conversion.}, language = {en} } @article{FreibergMachnerPfeiletal.2004, author = {Freiberg, Alexander and Machner, M. P. and Pfeil, Wolfgang and Schubert, W. D. and Heinz, Dirk W. and Seckler, Robert}, title = {Folding and stability of the leucine-rich repeat domain of internalin B from Listeria monocytogenes}, issn = {0022-2836}, year = {2004}, abstract = {Internalin B (InlB), a surface protein of the human pathogen Listeria monocytogenes, promotes invasion into various host cell types by inducing phagocytosis of the entire bacterium. The N-terminal half of InlB (residues 36-321, InlB(321)), which is sufficient for this process, contains a central leucine-rich repeat (LRR) domain that is flanked by a small a-helical cap 2 and an immunoglobulin (Ig)-like domain. Here we investigated the variant lacking the Ig-like domain (lnlB(248)). The circular dichroism spectra of both protein variants in the far ultraviolet region are very similar, with a characteristic minimum found at similar to200 nm, possibly resulting from the high 3(10)-helical content in the LRR domain. Upon addition of chemical denaturants, both variants unfold in single transitions with unusually high cooperativity that are fully reversible and best described by two-state equilibria. The free energies of GdmCl-induced unfolding determined from transitions at 20degreesC are 9.9(+/- 0.8)kcal/mol for InlB(321) and 5.4(+/- 0.4) kcal/mol for InlB(248). InlB(321) is also more stable against thermal denaturation, as observed by scanning calorimetry. This suggests, that the Ig-like domain, which presumably does not directly interact with the host cell receptor during bacterial invasion, plays a critical role for the in vivo stability of InlB. (C) 2004 Elsevier Ltd. All rights reserved}, language = {en} } @article{VandewalAlbrechtHokeetal.2014, author = {Vandewal, Koen and Albrecht, Steve and Hoke, Eric T. and Graham, Kenneth R. and Widmer, Johannes and Douglas, Jessica D. and Schubert, Marcel and Mateker, William R. and Bloking, Jason T. and Burkhard, George F. and Sellinger, Alan and Frechet, Jean M. J. and Amassian, Aram and Riede, Moritz K. and McGehee, Michael D. and Neher, Dieter and Salleo, Alberto}, title = {Efficient charge generation by relaxed charge-transfer states at organic interfaces}, series = {Nature materials}, volume = {13}, journal = {Nature materials}, number = {1}, publisher = {Nature Publ. Group}, address = {London}, issn = {1476-1122}, doi = {10.1038/NMAT3807}, pages = {63 -- 68}, year = {2014}, abstract = {carriers on illumination. Efficient organic solar cells require a high yield for this process, combined with a minimum of energy losses. Here, we investigate the role of the lowest energy emissive interfacial charge-transfer state (CT1) in the charge generation process. We measure the quantum yield and the electric field dependence of charge generation on excitation of the charge-transfer (CT) state manifold viaweakly allowed, low-energy optical transitions. For a wide range of photovoltaic devices based on polymer: fullerene, small-molecule:C-60 and polymer: polymer blends, our study reveals that the internal quantum efficiency (IQE) is essentially independent of whether or not D, A or CT states with an energy higher than that of CT1 are excited. The best materials systems show an IQE higher than 90\% without the need for excess electronic or vibrational energy.}, language = {en} } @misc{LiuTkachovKomberetal.2014, author = {Liu, W. and Tkachov, R. and Komber, H. and Senkovskyy, V. and Schubert, M. and Wei, Z. and Facchetti, A. and Neher, Dieter and Kiriy, A.}, title = {Chain-growth polycondensation of perylene diimide-based copolymers}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-98724}, pages = {8}, year = {2014}, abstract = {Herein, we report the chain-growth tin-free room temperature polymerization method to synthesize n-type perylene diimide-dithiophene-based conjugated polymers (PPDIT2s) suitable for solar cell and transistor applications. The palladium/electron-rich tri-tert-butylphosphine catalyst is effective to enable the chain-growth polymerization of anion-radical monomer Br-TPDIT-Br/Zn to PPDIT2 with a molecular weight up to Mw ≈ 50 kg mol-1 and moderate polydispersity. This is the second example of the polymerization of unusual anion-radical aromatic complexes formed in a reaction of active Zn and electron-deficient diimide-based aryl halides. As such, the discovered polymerization method is not a specific reactivity feature of the naphthalene-diimide derivatives but is rather a general polymerization tool. This is an important finding, given the significantly higher maximum external quantum efficiency that can be reached with PDI-based copolymers (32-45\%) in all-polymer solar cells compared to NDI-based materials (15-30\%). Our studies revealed that PPDIT2 synthesized by the new method and the previously published polymer prepared by step-growth Stille polycondensation show similar electron mobility and all-polymer solar cell performance. At the same time, the polymerization reported herein has several technological advantages as it proceeds relatively fast at room temperature and does not involve toxic tin-based compounds. Because several chain-growth polymerization reactions are well-suited for the preparation of well-defined multi-functional polymer architectures, the next target is to explore the utility of the discovered polymerization in the synthesis of end-functionalized polymers and block copolymers. Such materials would be helpful to improve the nanoscale morphology of polymer blends in all-polymer solar cells.}, language = {en} } @article{SiniSchubertRiskoetal.2018, author = {Sini, Gjergji and Schubert, Marcel and Risko, Chad and Roland, Steffen and Lee, Olivia P. and Chen, Zhihua and Richter, Thomas V. and Dolfen, Daniel and Coropceanu, Veaceslav and Ludwigs, Sabine and Scherf, Ullrich and Facchetti, Antonio and Frechet, Jean M. J. and Neher, Dieter}, title = {On the Molecular Origin of Charge Separation at the Donor-Acceptor Interface}, series = {Advanced energy materials}, volume = {8}, journal = {Advanced energy materials}, number = {12}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1614-6832}, doi = {10.1002/aenm.201702232}, pages = {15}, year = {2018}, abstract = {Fullerene-based acceptors have dominated organic solar cells for almost two decades. It is only within the last few years that alternative acceptors rival their dominance, introducing much more flexibility in the optoelectronic properties of these material blends. However, a fundamental physical understanding of the processes that drive charge separation at organic heterojunctions is still missing, but urgently needed to direct further material improvements. Here a combined experimental and theoretical approach is used to understand the intimate mechanisms by which molecular structure contributes to exciton dissociation, charge separation, and charge recombination at the donor-acceptor (D-A) interface. Model systems comprised of polythiophene-based donor and rylene diimide-based acceptor polymers are used and a detailed density functional theory (DFT) investigation is performed. The results point to the roles that geometric deformations and direct-contact intermolecular polarization play in establishing a driving force ( energy gradient) for the optoelectronic processes taking place at the interface. A substantial impact for this driving force is found to stem from polymer deformations at the interface, a finding that can clearly lead to new design approaches in the development of the next generation of conjugated polymers and small molecules.}, language = {en} } @article{LiuTkachovKomberetal.2014, author = {Liu, W. and Tkachov, R. and Komber, H. and Senkovskyy, V. and Schubert, M. and Wei, Z. and Facchetti, A. and Neher, Dieter and Kiriy, A.}, title = {Chain-growth polycondensation of perylene diimide-based copolymers: a new route to regio-regular perylene diimide-based acceptors for all-polymer solar cells and n-type transistors}, series = {Polymer Chemistry}, volume = {5}, journal = {Polymer Chemistry}, number = {10}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {1759-9954}, doi = {10.1039/c3py01707a}, pages = {3404 -- 3411}, year = {2014}, abstract = {Herein, we report the chain-growth tin-free room temperature polymerization method to synthesize n-type perylene diimide-dithiophene-based conjugated polymers (PPDIT2s) suitable for solar cell and transistor applications. The palladium/electron-rich tri-tert-butylphosphine catalyst is effective to enable the chain-growth polymerization of anion-radical monomer Br-TPDIT-Br/Zn to PPDIT2 with a molecular weight up to M-w approximate to 50 kg mol(-1) and moderate polydispersity. This is the second example of the polymerization of unusual anion-radical aromatic complexes formed in a reaction of active Zn and electron-deficient diimide-based aryl halides. As such, the discovered polymerization method is not a specific reactivity feature of the naphthalene-diimide derivatives but is rather a general polymerization tool. This is an important finding, given the significantly higher maximum external quantum efficiency that can be reached with PDI-based copolymers (32-45\%) in all-polymer solar cells compared to NDI-based materials (15-30\%). Our studies revealed that PPDIT2 synthesized by the new method and the previously published polymer prepared by step-growth Stille polycondensation show similar electron mobility and all-polymer solar cell performance. At the same time, the polymerization reported herein has several technological advantages as it proceeds relatively fast at room temperature and does not involve toxic tin-based compounds. Because several chain-growth polymerization reactions are well-suited for the preparation of well-defined multi-functional polymer architectures, the next target is to explore the utility of the discovered polymerization in the synthesis of end-functionalized polymers and block copolymers. Such materials would be helpful to improve the nanoscale morphology of polymer blends in all-polymer solar cells.}, language = {en} } @article{WeiMuehlhausenSchubertBischoffetal.1995, author = {Wei, Qing and M{\"u}hlhausen, D. and Schubert-Bischoff, P. and Macht, M.-P.}, title = {Kristallisation der massiven, amorphen Legierung Zr41Ti14Cu12,5Ni10Be22,5}, year = {1995}, language = {de} }