@article{MehnerAttermeyerBraunsetal.2016, author = {Mehner, T. and Attermeyer, Katrin and Brauns, Mario and Brothers, Soren M. and Diekmann, J. and Gaedke, Ursula and Grossart, Hans-Peter and Koehler, J. and Lischke, Betty and Meyer, N. and Scharnweber, Inga Kristin and Syvaranta, J. and Vanni, M. J. and Hilt, S.}, title = {Weak Response of Animal Allochthony and Production to Enhanced Supply of Terrestrial Leaf Litter in Nutrient-Rich Lakes}, series = {Ecosystems}, volume = {19}, journal = {Ecosystems}, publisher = {Springer}, address = {New York}, issn = {1432-9840}, doi = {10.1007/s10021-015-9933-2}, pages = {311 -- 325}, year = {2016}, abstract = {Ecosystems are generally linked via fluxes of nutrients and energy across their boundaries. For example, freshwater ecosystems in temperate regions may receive significant inputs of terrestrially derived carbon via autumnal leaf litter. This terrestrial particulate organic carbon (POC) is hypothesized to subsidize animal production in lakes, but direct evidence is still lacking. We divided two small eutrophic lakes each into two sections and added isotopically distinct maize litter to the treatment sections to simulate increased terrestrial POC inputs via leaf litter in autumn. We quantified the reliance of aquatic consumers on terrestrial resources (allochthony) in the year subsequent to POC additions by applying mixing models of stable isotopes. We also estimated lake-wide carbon (C) balances to calculate the C flow to the production of the major aquatic consumer groups: benthic macroinvertebrates, crustacean zooplankton, and fish. The sum of secondary production of crustaceans and benthic macroinvertebrates supported by terrestrial POC was higher in the treatment sections of both lakes. In contrast, total secondary and tertiary production (supported by both autochthonous and allochthonous C) was higher in the reference than in the treatment sections of both lakes. Average aquatic consumer allochthony per lake section was 27-40\%, although terrestrial POC contributed less than about 10\% to total organic C supply to the lakes. The production of aquatic consumers incorporated less than 5\% of the total organic C supply in both lakes, indicating a low ecological efficiency. We suggest that the consumption of terrestrial POC by aquatic consumers facilitates a strong coupling with the terrestrial environment. However, the high autochthonous production and the large pool of autochthonous detritus in these nutrient-rich lakes make terrestrial POC quantitatively unimportant for the C flows within food webs.}, language = {en} } @article{SchmidtLorenz2016, author = {Schmidt, Burkhard and Lorenz, Ulf}, title = {WavePacket}, series = {Computer physics communications : an international journal devoted to computational physics and computer programs in physics}, volume = {213}, journal = {Computer physics communications : an international journal devoted to computational physics and computer programs in physics}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0010-4655}, doi = {10.1016/j.cpc.2016.12.007}, pages = {223 -- 234}, year = {2016}, abstract = {WavePacket is an open-source program package for the numerical simulation of quantum-mechanical dynamics. It can be used to solve time-independent or time-dependent linear Schr{\"o}dinger and Liouville-von Neumann-equations in one or more dimensions. Also coupled equations can be treated, which allows to simulate molecular quantum dynamics beyond the Born-Oppenheimer approximation. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate experiments involving tailored light pulses in photo-induced physics or chemistry. The graphical capabilities allow visualization of quantum dynamics 'on the fly', including Wigner phase space representations. Being easy to use and highly versatile, WavePacket is well suited for the teaching of quantum mechanics as well as for research projects in atomic, molecular and optical physics or in physical or theoretical chemistry. The present Part I deals with the description of closed quantum systems in terms of Schr{\"o}dinger equations. The emphasis is on discrete variable representations for spatial discretization as well as various techniques for temporal discretization. The upcoming Part II will focus on open quantum systems and dimension reduction; it also describes the codes for optimal control of quantum dynamics. The present work introduces the MATLAB version of WavePacket 5.2.1 which is hosted at the Sourceforge platform, where extensive Wiki-documentation as well as worked-out demonstration examples can be found.}, language = {en} } @article{AgarwalMaheswaranKurthsetal.2016, author = {Agarwal, Ankit and Maheswaran, Rathinasamy and Kurths, J{\"u}rgen and Khosa, R.}, title = {Wavelet Spectrum and Self-Organizing Maps-Based Approach for Hydrologic Regionalization -a Case Study in the Western United States}, series = {Water Resources Management}, volume = {30}, journal = {Water Resources Management}, publisher = {Springer}, address = {Dordrecht}, issn = {0920-4741}, doi = {10.1007/s11269-016-1428-1}, pages = {4399 -- 4413}, year = {2016}, abstract = {Hydrologic regionalization deals with the investigation of homogeneity in watersheds and provides a classification of watersheds for regional analysis. The classification thus obtained can be used as a basis for mapping data from gauged to ungauged sites and can improve extreme event prediction. This paper proposes a wavelet power spectrum (WPS) coupled with the self-organizing map method for clustering hydrologic catchments. The application of this technique is implemented for gauged catchments. As a test case study, monthly streamflow records observed at 117 selected catchments throughout the western United States from 1951 through 2002. Further, based on WPS of each station, catchments are classified into homogeneous clusters, which provides a representative WPS pattern for the streamflow stations in each cluster.}, language = {en} } @article{ShpritsDrozdovSpasojevicetal.2016, author = {Shprits, Yuri Y. and Drozdov, Alexander and Spasojevic, Maria and Kellerman, Adam C. and Usanova, Maria E. and Engebretson, Mark J. and Agapitov, Oleksiy V. and Zhelavskaya, Irina and Raita, Tero J. and Spence, Harlan E. and Baker, Daniel N. and Zhu, Hui and Aseev, Nikita}, title = {Wave-induced loss of ultra-relativistic electrons in the Van Allen radiation belts}, series = {Nature Communications}, volume = {7}, journal = {Nature Communications}, publisher = {Nature Publ. Group}, address = {London}, issn = {2041-1723}, doi = {10.1038/ncomms12883}, pages = {7}, year = {2016}, language = {en} } @article{TaubertBalischewskiHentrichetal.2016, author = {Taubert, Andreas and Balischewski, Christian and Hentrich, Doreen and Elschner, Thomas and Eidner, Sascha and G{\"u}nter, Christina and Behrens, Karsten and Heinze, Thomas}, title = {Water-Soluble Cellulose Derivatives Are Sustainable Additives for Biomimetic Calcium Phosphate Mineralization}, series = {Inorganics : open access journal}, volume = {4}, journal = {Inorganics : open access journal}, publisher = {MDPI}, address = {Basel}, issn = {2304-6740}, doi = {10.3390/inorganics4040033}, pages = {17}, year = {2016}, abstract = {The effect of cellulose-based polyelectrolytes on biomimetic calcium phosphate mineralization is described. Three cellulose derivatives, a polyanion, a polycation, and a polyzwitterion were used as additives. Scanning electron microscopy, X-ray diffraction, IR and Raman spectroscopy show that, depending on the composition of the starting solution, hydroxyapatite or brushite precipitates form. Infrared and Raman spectroscopy also show that significant amounts of nitrate ions are incorporated in the precipitates. Energy dispersive X-ray spectroscopy shows that the Ca/P ratio varies throughout the samples and resembles that of other bioinspired calcium phosphate hybrid materials. Elemental analysis shows that the carbon (i.e., polymer) contents reach 10\% in some samples, clearly illustrating the formation of a true hybrid material. Overall, the data indicate that a higher polymer concentration in the reaction mixture favors the formation of polymer-enriched materials, while lower polymer concentrations or high precursor concentrations favor the formation of products that are closely related to the control samples precipitated in the absence of polymer. The results thus highlight the potential of (water-soluble) cellulose derivatives for the synthesis and design of bioinspired and bio-based hybrid materials.}, language = {en} } @phdthesis{Janetschek2016, author = {Janetschek, Hannah}, title = {Water development programs in India}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-401337}, school = {Universit{\"a}t Potsdam}, pages = {279}, year = {2016}, abstract = {In the past decades, development cooperation (DC) led by conventional bi- and multilateral donors has been joined by a large number of small, private or public-private donors. This pluralism of actors raises questions as to whether or not these new donors are able to implement projects more or less effectively than their conventional counterparts. In contrast to their predecessors, the new donors have committed themselves to be more pragmatic, innovative and flexible in their development cooperation measures. However, they are also criticized for weakening the function of local civil society and have the reputation of being an intransparent and often controversial alternative to public services. With additional financial resources and their new approach to development, the new donors have been described in the literature as playing a controversial role in transforming development cooperation. This dissertation compares the effectiveness of initiatives by new and conventional donors with regard to the provision of public goods and services to the poor in the water and sanitation sector in India. India is an emerging country but it is experiencing high poverty rates and poor water supply in predominantly rural areas. It lends itself for analyzing this research theme as it is currently being confronted by a large number of actors and approaches that aim to find solutions for these challenges . In the theoretical framework of this dissertation, four governance configurations are derived from the interaction of varying actor types with regard to hierarchical and non-hierarchical steering of their interactions. These four governance configurations differ in decision-making responsibilities, accountability and delegation of tasks or direction of information flow. The assumption on actor relationships and steering is supplemented by possible alternative explanations in the empirical investigation, such as resource availability, the inheritance of structures and institutions from previous projects in a project context, gaining acceptance through beneficiaries (local legitimacy) as a door opener, and asymmetries of power in the project context. Case study evidence from seven projects reveals that the actors' relationship is important for successful project delivery. Additionally, the results show that there is a systematic difference between conventional and new donors. Projects led by conventional donors were consistently more successful, due to an actor relationship that placed the responsibility in the hands of the recipient actors and benefited from the trust and reputation of a long-term cooperation. The trust and reputation of conventional donors always went along with a back-up from federal level and trickled down as reputation also at local level implementation. Furthermore, charismatic leaders, as well as the acquired structures and institutions of predecessor projects, also proved to be a positive influencing factor for successful project implementation. Despite the mixed results of the seven case studies, central recommendations for action can be derived for the various actors involved in development cooperation. For example, new donors could fulfill a supplementary function with conventional donors by developing innovative project approaches through pilot studies and then implementing them as a supplement to the projects of conventional donors on the ground. In return, conventional donors would have to make room the new donors by integrating their approaches into already programs in order to promote donor harmonization. It is also important to identify and occupy niches for activities and to promote harmonization among donors on state and federal sides. The empirical results demonstrate the need for a harmonization strategy of different donor types in order to prevent duplication, over-experimentation and the failure of development programs. A transformation to successful and sustainable development cooperation can only be achieved through more coordination processes and national self-responsibility.}, language = {en} } @article{SinghSeitzEickeretal.2016, author = {Singh, Alka and Seitz, Florian and Eicker, Annette and G{\"u}ntner, Andreas}, title = {Water Budget Analysis within the Surrounding of Prominent Lakes and Reservoirs from Multi-Sensor Earth Observation Data and Hydrological Models: Case Studies of the Aral Sea and Lake Mead}, series = {Remote sensing}, volume = {8}, journal = {Remote sensing}, publisher = {MDPI}, address = {Basel}, issn = {2072-4292}, doi = {10.3390/rs8110953}, pages = {21}, year = {2016}, abstract = {The hydrological budget of a region is determined based on the horizontal and vertical water fluxes acting in both inward and outward directions. These integrated water fluxes vary, altering the total water storage and consequently the gravitational force of the region. The time-dependent gravitational field can be observed through the Gravity Recovery and Climate Experiment (GRACE) gravimetric satellite mission, provided that the mass variation is above the sensitivity of GRACE. This study evaluates mass changes in prominent reservoir regions through three independent approaches viz. fluxes, storages, and gravity, by combining remote sensing products, in-situ data and hydrological model outputs using WaterGAP Global Hydrological Model (WGHM) and Global Land Data Assimilation System (GLDAS). The results show that the dynamics revealed by the GRACE signal can be better explored by a hybrid method, which combines remote sensing-based reservoir volume estimates with hydrological model outputs, than by exclusive model-based storage estimates. For the given arid/ semi-arid regions, GLDAS based storage estimations perform better than WGHM.}, language = {en} } @misc{SinghSeitzEickeretal.2016, author = {Singh, Alka and Seitz, Florian and Eicker, Annette and G{\"u}ntner, Andreas}, title = {Water budget analysis within the surrounding of prominent lakes and reservoirs from multi-sensor earth observation data and hydrological models}, series = {remote sensing}, journal = {remote sensing}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-407902}, pages = {21}, year = {2016}, abstract = {The hydrological budget of a region is determined based on the horizontal and vertical water fluxes acting in both inward and outward directions. These integrated water fluxes vary, altering the total water storage and consequently the gravitational force of the region. The time-dependent gravitational field can be observed through the Gravity Recovery and Climate Experiment (GRACE) gravimetric satellite mission, provided that the mass variation is above the sensitivity of GRACE. This study evaluates mass changes in prominent reservoir regions through three independent approaches viz. fluxes, storages, and gravity, by combining remote sensing products, in-situ data and hydrological model outputs using WaterGAP Global Hydrological Model (WGHM) and Global Land Data Assimilation System (GLDAS). The results show that the dynamics revealed by the GRACE signal can be better explored by a hybrid method, which combines remote sensing-based reservoir volume estimates with hydrological model outputs, than by exclusive model-based storage estimates. For the given arid/ semi-arid regions, GLDAS based storage estimations perform better than WGHM.}, language = {en} } @article{ReppertSarhanSteteetal.2016, author = {Reppert, Alexander von and Sarhan, Radwan Mohamed and Stete, Felix and Pudell, Jan-Etienne and Del Fatti, N. and Crut, A. and Koetz, Joachim and Liebig, Ferenc and Prietzel, Claudia Christina and Bargheer, Matias}, title = {Watching the Vibration and Cooling of Ultrathin Gold Nanotriangles by Ultrafast X-ray Diffraction}, series = {The journal of physical chemistry : C, Nanomaterials and interfaces}, volume = {120}, journal = {The journal of physical chemistry : C, Nanomaterials and interfaces}, publisher = {American Chemical Society}, address = {Washington}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.6b11651}, pages = {28894 -- 28899}, year = {2016}, abstract = {We study the vibrations of ultrathin gold nanotriangles upon optical excitation of the electron gas by ultrafast X-ray diffraction. We quantitatively measure the strain evolution in these highly asymmetric nano-objects, providing a direct estimation of the amplitude and phase of the excited vibrational motion. The maximal strain value is well reproduced by calculations addressing pump absorption by the nanotriangles and their resulting thermal expansion. The amplitude and phase of the out-of-plane vibration mode with 3.6 ps period dominating the observed oscillations are related to two distinct excitation mechanisms. Electronic and phonon pressures impose stresses with different time dependences. The nanosecond relaxation of the expansion yields a direct temperature sensing of the nano-object. The presence of a thin organic molecular layer at the nanotriangle/substrate interfaces drastically reduces the thermal conductance to the substrate.}, language = {en} } @article{Krahe2016, author = {Krah{\´e}, Barbara}, title = {Vulnerability to Sexual Victimization in Female and Male College Students in Brazil: Cross-Sectional and Prospective Evidence}, series = {Archives of sexual behavior : the official publication of the International Academy of Sex Research}, volume = {45}, journal = {Archives of sexual behavior : the official publication of the International Academy of Sex Research}, publisher = {Springer}, address = {New York}, issn = {0004-0002}, doi = {10.1007/s10508-014-0451-7}, pages = {1101 -- 1115}, year = {2016}, abstract = {Using both cross-sectional and prospective analyses, this study examined vulnerability factors for sexual victimization in 541 female and male Brazilian college students, of whom a subgroup of 250 took part in two measurements 6 months apart. Risk factors for sexual victimization (alcohol consumption, casual sex, and ambiguous communication) in participants' cognitive scripts for consensual sex were linked to sexual victimization via their translation into risky sexual behavior. Pornography use was indirectly linked to sexual victimization through its influence on risky sexual scripts and sexual behavior. Child sexual abuse predicted sexual victimization in the cross-sectional analysis, and victimization since age 14 predicted revictimization in the six months covered by the prospective period. Few gender differences were found. This study is the first prospective investigation of vulnerability factors for sexual victimization in Brazil, and similarities to evidence from North America are discussed.}, language = {en} } @misc{ReimoldSchulzHoffmannetal.2016, author = {Reimold, W. U. and Schulz, Toni and Hoffmann, M. and Wannek, Dshamilja and Hauser, N. and van Acken, David and Luguet, A.}, title = {VREDEFORT GRANOPHYRE GENESIS: CLUES FROM RE-OS ISOTOPE DATA}, series = {Physical review : E, Statistical, nonlinear and soft matter physics}, volume = {51}, journal = {Physical review : E, Statistical, nonlinear and soft matter physics}, publisher = {Wiley-Blackwell}, address = {Hoboken}, issn = {1086-9379}, pages = {A533 -- A533}, year = {2016}, language = {en} } @article{MummHermanussenScheffler2016, author = {Mumm, Rebekka and Hermanussen, Michael and Scheffler, Christiane}, title = {voice break as the marker of biological age}, series = {Acta paediatrica : nurturing the child}, volume = {105}, journal = {Acta paediatrica : nurturing the child}, publisher = {Wiley-Blackwell}, address = {Hoboken}, issn = {0803-5253}, doi = {10.1111/apa.13488}, pages = {e459 -- e463}, year = {2016}, abstract = {Aim: We aimed to develop the first references for body height, body weight and body mass index (BMI) for boys based on the individual developmental tempo with respect to their voice break status. Methods: We re-analysed data from the German Health Interview and Examination Survey for Children and Adolescents (KiGGS study) on body height, body weight and body mass index based on the voice break, or mutation, in 3956 boys aged 10-17 years. We used the LMS method to construct smoothed references centiles for the studied variables in premutational, mutational and postmutational boys. Results: Body height, body weight and BMI differed significantly (p < 0.001) between the different stages of voice break. On average, boys were 5.9 cm taller, 5.8 kg heavier and had a 0.7 kg/m(2) higher BMI with every higher stage of voice break. Currently used growth references for chronological age in comparison with maturity-related references led to an average of 5.4\% of boys being falsely classified as overweight.}, language = {en} } @article{deGuevara2016, author = {de Guevara, Berit Bliesemann}, title = {visits in zones of conflict and intervention}, series = {Journal of intervention and statebuilding}, volume = {10}, journal = {Journal of intervention and statebuilding}, publisher = {Soil Science Society of America}, address = {Abingdon}, issn = {1750-2977}, doi = {10.1080/17502977.2015.1137394}, pages = {56 -- 76}, year = {2016}, abstract = {This article explores the practice and political significance of politicians' journeys to conflict zones. It focuses on the German example, looking at field trips to theatres of international intervention as a way of first-hand knowledge in policymaking. Paying tribute to Lisa Smirl and her work on humanitarian spaces, objects and imaginaries and on liminality in aid worker biographies, two connected arguments are developed. First, through the exploration of the routinized practices of politicians' field trips the article shows how these journeys not only remain confined to the 'auxiliary space' of aid/intervention, but that it is furthermore a staged reality of this auxiliary space that most politicians experience on their journeys. The question is then asked, second, what politicians actually experience on their journeys and how their experiences relate to their policy knowledge about conflict and intervention. It is shown that political field trips enable sensory/affectual, liminoid and liminal experiences, which have functions such as authority accumulation, agenda setting, community building, and civilizing domestic politics, while at the same time reinforcing, in most cases, pre-existing conflict and intervention imaginaries.}, language = {en} } @article{AdelElbeheryAzizetal.2016, author = {Adel, Mustafa and Elbehery, Ali H. A. and Aziz, Sherry K. and Aziz, Ramy K. and Grossart, Hans-Peter and Siam, Rania}, title = {Viruses-to-mobile genetic elements skew in the deep Atlantis II brine pool sediments}, series = {Scientific reports}, volume = {6}, journal = {Scientific reports}, publisher = {Nature Publ. Group}, address = {London}, issn = {2045-2322}, doi = {10.1038/srep32704}, pages = {8882 -- 8888}, year = {2016}, abstract = {The central rift of the Red Sea has 25 brine pools with different physical and geochemical characteristics. Atlantis II (ATIID), Discovery Deeps (DD) and Chain Deep (CD) are characterized by high salinity, temperature and metal content. Several studies reported microbial communities in these brine pools, but few studies addressed the brine pool sediments. Therefore, sediment cores were collected from ATIID, DD, CD brine pools and an adjacent brine-influenced site. Sixteen different lithologic sediment sections were subjected to shotgun DNA pyrosequencing to generate 1.47 billion base pairs (1.47 x 10(9) bp). We generated sediment-specific reads and attempted to annotate all reads. We report the phylogenetic and biochemical uniqueness of the deepest ATIID sulfur-rich brine pool sediments. In contrary to all other sediment sections, bacteria dominate the deepest ATIID sulfur-rich brine pool sediments. This decrease in virus-to-bacteria ratio in selected sections and depth coincided with an overrepresentation of mobile genetic elements. Skewing in the composition of viruses-to-mobile genetic elements may uniquely contribute to the distinct microbial consortium in sediments in proximity to hydrothermally active vents of the Red Sea and possibly in their surroundings, through differential horizontal gene transfer.}, language = {en} } @misc{Krahe2016, author = {Krah{\´e}, Barbara}, title = {Violent Media Effects on Aggression: A Commentary from a Cross-Cultural Perspective}, series = {Analyses of social issues and public policy}, volume = {16}, journal = {Analyses of social issues and public policy}, publisher = {Wiley-Blackwell}, address = {Hoboken}, issn = {1529-7489}, doi = {10.1111/asap.12107}, pages = {439 -- 442}, year = {2016}, abstract = {It is argued that, despite differences in cultural norms and practices, the evidence for a link between violent media use and aggression is remarkably consistent across different countries. Along with evidence that different operationalizations of violent media use also converge across countries, these findings strengthen the conclusion that violent media are a risk factor for aggression and validate the psychological explanations for these effects. However, we need comparative studies based on a consistent methodology and a theory-based selection of cultural difference variables to properly examine the potential impact of culture on the association between violent media use and aggression.}, language = {en} } @article{RauchQuinetHoyeretal.2016, author = {Rauch, Thomas and Quinet, P. and Hoyer, D. and Werner, K. and Richter, Philipp and Kruk, J. W. and Demleitner, M.}, title = {VII. New Kr IV - VII oscillator strengths and an improved spectral analysis of the hot, hydrogen-deficient DO-type white dwarf RE 0503-289}, series = {Plant physiology : an international journal devoted to physiology, biochemistry, cellular and molecular biology, biophysics and environmental biology of plants}, volume = {590}, journal = {Plant physiology : an international journal devoted to physiology, biochemistry, cellular and molecular biology, biophysics and environmental biology of plants}, publisher = {EDP Sciences}, address = {Les Ulis}, organization = {VERITAS Collaboration}, issn = {1432-0746}, doi = {10.1051/0004-6361/201628131}, pages = {26}, year = {2016}, abstract = {Context. For the spectral analysis of high-resolution and high signal-to-noise (S/N) spectra of hot stars, state-of-the-art non-local thermodynamic equilibrium (NLTE) model atmospheres are mandatory. These are strongly dependent on the reliability of the atomic data that is used for their calculation. Aims. New Kr IV-VII oscillator strengths for a large number of lines enable us to construct more detailed model atoms for our NLTE model-atmosphere calculations. This enables us to search for additional Kr lines in observed spectra and to improve Kr abundance determinations. Methods. We calculated Kr IV-VII oscillator strengths to consider radiative and collisional bound-bound transitions in detail in our NLTE stellar-atmosphere models for the analysis of Kr lines that are exhibited in high-resolution and high S/N ultraviolet (UV) observations of the hot white dwarf RE 0503-289. Results. We reanalyzed the effective temperature and surface gravity and determined T-eff = 70 000 +/- 2000 K and log (g/cm s(-2)) = 7.5 +/- 0.1. We newly identified ten Kr V lines and one Kr vi line in the spectrum of RE 0503-289. We measured a Kr abundance of 3.3 +/- 0.3 (logarithmic mass fraction). We discovered that the interstellar absorption toward RE 0503-289 has a multi-velocity structure within a radial-velocity interval of -40 km s(-1) < upsilon(rad) < +18 km s(-1). Conclusions. Reliable measurements and calculations of atomic data are a prerequisite for state-of-the-art NLTE stellar-atmosphere modeling. Observed Kr V-VII line profiles in the UV spectrum of the white dwarf RE 0503-289 were simultaneously well reproduced with our newly calculated oscillator strengths.}, language = {en} } @article{KunnusZhangDelceyetal.2016, author = {Kunnus, Kristjan and Zhang, Wenkai and Delcey, Mickael G. and Pinjari, Rahul V. and Miedema, Piter S. and Schreck, Simon and Quevedo, Wilson and Schr{\"o}der, Henning and F{\"o}hlisch, Alexander and Gaffney, Kelly J. and Lundberg, Marcus and Odelius, Michael and Wernet, Philippe}, title = {Viewing the Valence Electronic Structure of Ferric and Ferrous Hexacyanide in Solution from the Fe and Cyanide Perspectives}, series = {The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces \& biophysical chemistry}, volume = {120}, journal = {The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces \& biophysical chemistry}, publisher = {American Chemical Society}, address = {Washington}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.6b04751}, pages = {7182 -- 7194}, year = {2016}, abstract = {The valence-excited states of ferric and ferrous hexacyanide ions in aqueous solution were mapped by resonant inelastic X-ray scattering (RIXS) at the Fe L-2,L-3 and N K edges. Probing of both the central Fe and the ligand N atoms enabled identification of the metal-and ligand-centered excited states, as well as ligand-to-metal and metal-to-ligand charge-transfer excited states. Ab initio calculations utilizing the RASPT2 method were used to simulate the Fe L-2,L-3-edge RIXS spectra and enabled quantification of the covalencies of both occupied and empty orbitals of pi and sigma symmetry. We found that pi back-donation in the ferric complex is smaller than that in the ferrous complex. This is evidenced by the relative amounts of Fe 3d character in the nominally 2 pi CN- molecular orbital of 7\% and 9\% in ferric and ferrous hexacyanide, respectively. Utilizing the direct sensitivity of Fe L-3-edge RIXS to the Fe 3d character in the occupied molecular orbitals, we also found that the donation interactions are dominated by sigma bonding. The latter was found to be stronger in the ferric complex, with an Fe 3d contribution to the nominally 5 sigma CN- molecular orbitals of 29\% compared to 20\% in the ferrous complex. These results are consistent with the notion that a higher charge at the central metal atom increases donation and decreases back-donation.}, language = {en} } @article{AliuArchambaultArcheretal.2016, author = {Aliu, E. and Archambault, S. and Archer, A. and Arlen, T. and Aune, T. and Barnacka, Anna and Behera, B. and Beilicke, M. and Benbow, W. and Berger, K. and Bird, R. and B{\"o}ttcher, Markus and Bouvier, A. and Buchovecky, M. and Buckley, J. H. and Bugaev, V. and Cardenzana, J. V. and Cerruti, M. and Cesarini, A. and Chen, Xuhui and Ciupik, L. and Collins-Hughes, E. and Connolly, M. P. and Cui, W. and Dumm, J. and Eisch, J. D. and Falcone, A. and Federici, Simone and Feng, Q. and Finley, J. P. and Fleischhack, H. and Fortin, P. and Fortson, L. and Furniss, A. and Galante, N. and Gall, D. and Gillanders, G. H. and Griffin, S. and Griffiths, S. T. and Grube, J. and Gyuk, G. and H{\"u}tten, M. and Hakansson, Nils and Holder, J. and Hughes, G. and Humensky, T. B. and Johnson, C. A. and Kaaret, P. and Kar, P. and Kelley-Hoskins, N. and Kertzman, M. and Khassen, Y. and Kieda, D. and Krause, M. and Krawczynski, H. and Krennrich, F. and Lang, M. J. and Madhavan, A. S. and Maier, G. and McArthur, S. and McCann, A. and Meagher, K. and Millis, J. and Moriarty, P. and Mukherjee, R. and Nieto, D. and Ong, R. A. and Orr, M. and Otte, A. N. and Pandel, D. and Park, N. and Pelassa, V. and Perkins, J. S. and Pichel, A. and Pohl, Martin and Popkow, A. and Quinn, J. and Ragan, K. and Reyes, L. C. and Reynolds, P. T. and Roache, E. and Rousselle, J. and Rovero, A. C. and Saxon, D. B. and Sembroski, G. H. and Shahinyan, K. and Sheidaei, F. and Skole, C. and Smith, A. W. and Staszak, D. and Telezhinsky, Igor O. and Theiling, M. and Todd, N. W. and Tucci, J. V. and Tyler, J. and Varlotta, A. and Vassiliev, V. V. and Vincent, S. and Wakely, S. P. and Weiner, O. M. and Weinstein, A. and Welsing, R. and Wilhelm, Alina and Williams, D. A. and Zitzer, B. and Baring, M. G. and Gonzalez, J. Becerra and Cillis, A. N. and Horan, D. and Paneque, D.}, title = {Very high energy outburst of Markarian 501 in May 2009}, series = {Physical chemistry, chemical physics : a journal of European Chemical Societies}, volume = {594}, journal = {Physical chemistry, chemical physics : a journal of European Chemical Societies}, publisher = {EDP Sciences}, address = {Les Ulis}, organization = {Veritas Collaboration}, issn = {1432-0746}, doi = {10.1051/0004-6361/201628744}, pages = {12}, year = {2016}, abstract = {The very high energy (VHE; E > 100 GeV) blazar Markarian 501 was observed between April 17 and May 5 (MJD 54 938-54 956), 2009, as part of an extensive multiwavelength campaign from radio to VHE. Strong VHE yray activity was detected on May 1st with Whipple and VERITAS, when the flux (E > 400 GeV) increased to 10 times the preflare baseline flux (3.9 x 10(-11) ph cm(-2) s(-1)), reaching five times the flux of the Crab Nebula. This coincided with a decrease in the optical polarization and a rotation of the polarization angle by 15. This VHE flare showed a fast flux variation with an increase of a factor similar to 4 in 25 min, and a falling time of similar to 50 min. We present the observations of the quiescent state previous to the flare and of the high state after the flare, focusing on the flux and spectral variability from Whipple, VERITAS, Fermi-LAT, RXTE, and Swift combined with optical and radio data.}, language = {en} } @misc{SchickEckertPontiusetal.2016, author = {Schick, Daniel and Eckert, Sebastian and Pontius, Niko and Mitzner, Rolf and F{\"o}hlisch, Alexander and Holldack, Karsten and Sorgenfrei, Nomi}, title = {Versatile soft X-ray-optical cross-correlator for ultrafast applications}, series = {Zweitver{\"o}ffentlichungen der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, journal = {Zweitver{\"o}ffentlichungen der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, number = {1331}, issn = {1866-8372}, doi = {10.25932/publishup-43696}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-436962}, pages = {054304-1 -- 054304-8}, year = {2016}, abstract = {We present an X-ray-optical cross-correlator for the soft (> 150 eV) up to the hard X-ray regime based on a molybdenum-silicon superlattice. The cross-correlation is done by probing intensity and position changes of superlattice Bragg peaks caused by photoexcitation of coherent phonons. This approach is applicable for a wide range of X-ray photon energies as well as for a broad range of excitation wavelengths and requires no external fields or changes of temperature. Moreover, the cross-correlator can be employed on a 10 ps or 100 fs time scale featuring up to 50\% total X-ray reflectivity and transient signal changes of more than 20\%. (C) 2016 Author(s).}, language = {en} } @article{SchickEckertPontiusetal.2016, author = {Schick, Daniel and Eckert, Sebastian and Pontius, Niko and Mitzner, Rolf and F{\"o}hlisch, Alexander and Holldack, Karsten and Sorgenfrei, Nomi}, title = {Versatile soft X-ray-optical cross-correlator for ultrafast applications}, series = {Structural dynamics}, volume = {3}, journal = {Structural dynamics}, publisher = {American Institute of Physics}, address = {Melville}, issn = {2329-7778}, doi = {10.1063/1.4964296}, pages = {054304-1 -- 054304-8}, year = {2016}, abstract = {We present an X-ray-optical cross-correlator for the soft (> 150 eV) up to the hard X-ray regime based on a molybdenum-silicon superlattice. The cross-correlation is done by probing intensity and position changes of superlattice Bragg peaks caused by photoexcitation of coherent phonons. This approach is applicable for a wide range of X-ray photon energies as well as for a broad range of excitation wavelengths and requires no external fields or changes of temperature. Moreover, the cross-correlator can be employed on a 10 ps or 100 fs time scale featuring up to 50\% total X-ray reflectivity and transient signal changes of more than 20\%. (C) 2016 Author(s).}, language = {en} }