@misc{SonkajaerviRoggeDemuraetal.2004,
  author    = {Sonkaj{\"a}rvi, Hanna and Rogge, J{\"o}rg and Demura, Shin and Fichte, Robby and Alk{\"a}mper, Urte Christine and Tischer, Anuschka and Wollschl{\"a}ger, Thomas and Prass, Reiner and Helmedach, Andreas and Kubetzky, Thomas and Mehrkens, Heidi and Kater, Thomas and Sawilla, Jan Marco and Schneider, Dorit and Uebersch{\"a}r, Ellen and Angelow, J{\"u}rgen and Muth, J{\"o}rg and Lang, Heinrich and Kroll, Stefan and Kroener, Bernhard R. and Pr{\"o}ve, Ralf and Hollberg, Cecilie},
  title     = {Milit{\"a}r und Gesellschaft in der Fr{\"u}hen Neuzeit},
  volume    = {8},
  number    = {1},
  publisher = {Universit{\"a}tsverlag Potsdam},
  address   = {Potsdam},
  organization    = {Arbeitskreis Milit{\"a}r und Gesellschaft in der Fr{\"u}hen Neuzeit e.V. (Hrsg.)},
  issn      = {1617-9722},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-6765},
  year      = {2004},
  abstract  = {Aus dem Inhalt dieser Ausgabe: BEITR{\"A}GE: Hanna Sonkaj{\"a}rvi: Soldaten als Fremde in Straßburg im 18. Jahrhundert, J{\"o}rg Rogge: Das Kriegswesen im sp{\"a}ten Mittelalter und seine Erforschung: neuere englische und deutsche Arbeiten zu Krieg, Staat und Gesellschaft, PROJEKTE: Shin Demura: Allso hiebe der innere krieg schon an, der vil Erger dann der e{\"u}ssere war : die Stadt als Zufluchtsort f{\"u}r Fl{\"u}chtlinge : Erfahrungsformen des Dreißigj{\"a}hrigen Krieges in der Reichsstadt Ulm und ihrer Region, Robby Fichte: Zur Entwicklungsgeschichte des {\"o}ffentlich-rechtlichen Vertrages anhand der Begr{\"u}ndung des Milit{\"a}rdienstverh{\"a}ltnisses 1650-1914, Urte Christine Allk{\"a}mper: Die Braut des Soldaten : symbolische Kommunikation mit der Waffe von der Fr{\"u}hen Neuzeit bis zur Gegenwart, Anuschka Tischer: Offizielle Kriegsbegr{\"u}ndungen in der fr{\"u}hen Neuzeit - Funktionen, Formen, Inhalte, Thomas Wollschl{\"a}ger: Die Military Revolution und der deutsche Territorialstaat unter besonderer Ber{\"u}cksichtigung Brandenburg-Preußens und Sachsens : Determinanten der Staatskonsolidierung im europ{\"a}ischen Kontext 1670-1740, BERICHTE: Reiner Prass: Tagungsbericht Gewalt in der Fr{\"u}hen Neuzeit : 5. Tagung der Arbeitsgemeinschaft Fr{\"u}he Neuzeit vom 18. bis 20. September 2003 an der Freien Universit{\"a}t Berlin, Andreas Helmedach, Thomas Kubetzky, Heidi Mehrkens: Tilly ist nur eine Chiffre, die es aufzul{\"o}sen gilt ... - Jahrestagung des Arbeitskreises Milit{\"a}rgeschichte: Soldat und Gesellschaft : Biographien und Selbstzeugnisse in der Milit{\"a}rgeschichte 10.-11. Oktober 2003, Thomas Kater: Bericht {\"u}ber die Jahrestagung des Arbeitskreises Historische Friedensforschung : Der Friede ist keine leere Idee ... - Bilder und Vorstellungen vom Frieden im langen 19. Jahrhundert, 31.10. bis 2.11.2003, Stiftung Adam von Trott, Imshausen, Jan Marco Sawilla: Religion und Krieg - Bericht {\"u}ber die Hamburger Gespr{\"a}che zur Geschichtswissenschaft (V III.) WS 2003/ 2004, Dorit Schneider: Kriegsbegr{\"u}ndungen in der Geschichte. Strategien der Legitimierung und Legalisierung milit{\"a}rischer Gewalt - 30.-31.01.2004, Deutscher Bundestag, Berlin, REZENSIONEN: Ellen Uebersch{\"a}r: Das Strafgericht Gottes : Kriegserfahrungen und Religion im Heiligen R{\"o}mischen Reich Deutscher Nation im Zeitalter des Dreißigj{\"a}hrigen Krieges, hrsg. von Matthias Asche und Anton Schindling, M{\"u}nster 2001, J{\"u}rgen Angelow: Jutta Nowosadtko: Krieg, Gewalt und Ordnung : Einf{\"u}hrung in die Milit{\"a}rgeschichte, T{\"u}bingen 2002, J{\"o}rg Muth: John A. Lynn: Battle - A History of Combat and Culture from Ancient Greece to Modern Amerika, Boulder 2003, Heinrich Lang: Del Treppo, Mario (H g.): Condottieri e uomini d arme nell Italia del Rinascimento. Acura e con un saggio introduttivo di Mario Del Treppo, Napoli 2001, Stefan Kroll: J{\"o}rg Muth, Flucht aus dem milit{\"a}rischen Alltag : Ursachen und individuelle Auspr{\"a}gung der Desertion in der Armee Friedrichs des Großen. Mit besonderer Ber{\"u}cksichtigung der Infanterie-Regimenter der Potsdamer Garnison, Freiburg i. Br. 2003, ANK{\"U}NDIGUNGEN: Bernhard R. Kroener, Ralf Pr{\"o}ve: Tempi passati! Der Arbeitskreis Milit{\"a}r und Gesellschaft in der Fr{\"u}hen Neuzeit : ein Zwischenbericht nach einem Jahrzehnt, Mitgliederversammlung 2004, AMG-Tagung 2007, Cecilie Hollberg: Glaube \& Macht : Sachsen im Europa der Reformationszeit ; die 2. S{\"a}chsische Landesausstellung ; die Schlacht bei M{\"u}hlberg : Ausgang und Folgen},
  subject      = {Milit{\"a}r / Geschichte},
  language  = {de}
}
@misc{GlozierKrollVermeeschetal.2005,
  author    = {Glozier, Matthew and Kroll, Stefan and Vermeesch, Griet and Hochedlinger, Michael and Kleemeier, Ulrike and Krebs, Daniel and Fuchs, Thomas and Lang, Heinrich and Jessen, Olaf and Feistauer, Daniela},
  title     = {Milit{\"a}r und Gesellschaft in der Fr{\"u}hen Neuzeit},
  volume    = {9},
  number    = {2},
  publisher = {Universit{\"a}tsverlag Potsdam},
  address   = {Potsdam},
  organization    = {Arbeitskreis Milit{\"a}r und Gesellschaft in der Fr{\"u}hen Neuzeit e.V. (Hrsg.)},
  issn      = {1617-9722},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-6735},
  year      = {2005},
  abstract  = {Aus dem Inhalt dieser Ausgabe: BEITR{\"A}GE: Matthew Glozier: William of Orange and the reception of Huguenot Soldiers in the Netherlands and Great Britain 1685-1688, Stefan Kroll: Die Autobiographie des kurs{\"a}chsischen Fouriers Friedrich Christian Sohr (1748 bis 1788): Einf{\"u}hrung zu einer kritischen Edition im Internet, PROJEKTE: Griet Vermeesch: War, fortified towns and the countryside, Gorinchem and Doesburg (1570-1680, BERICHTE: Michael Hochedlinger: „Der schlafende Riese" : Das {\"O}sterreichische Staatsarchiv, Abteilung Kriegsarchiv, Ulrike Kleemeier: „Clausewitz in the 21st Century" (Oxford, 21. bis 23. M{\"a}rz 2005), Daniel Krebs: "War in an age of revolution : the wars of American independence and the French revolution, 1775 - 1815" (10. bis 12. M{\"a}rz 2005 am Deutschen Historischen Institut, Washington D.C.), REZENSIONEN: Thomas Fuchs: Peter Broucek und Kurt Peball, Geschichte der {\"o}sterreichischen Milit{\"a}rhistoriographie, K{\"o}ln u. a. 2000, Heinrich Lang: Bernd Roeck und Andreas T{\"o}nnesmann, Die Nase Italiens. Federico da Montefeltro, Herzog von Urbino, Berlin 2005, Heinrich Lang: Maurizio Arfaioli: The black bands of Giovanni : infantry and diplomacy during the Italian wars (1526-1528). Pisa, 2005, Olaf Jessen: Martin Winter, Untertanengeist durch Milit{\"a}rpflicht? : das preußische Kantonsystem in brandenburgischen St{\"a}dten im 18. Jahrhundert, Bielefeld 2005, Daniela Feistauer: Thomas Josef Mitterecker, Das Erzstift Salzburg im Zweiten Koalitionskrieg : K{\"a}mpfe - Besetzung - Folgen, Frankfurt/Main 2001, ANK{\"U}NDIGUNGEN: Graduiertenworkshop 28. Januar 2006, „Institutionelle Ordnungen, Schrift und Symbole", Europ{\"a}isches Graduiertenkolleg 625 „Institutionelle Ordnungen, Schrift und Symbole", Forschungskolloquium: Neuere Forschungen zur Milit{\"a}rgeschichte, Universit{\"a}t Potsdam, Wintersemester 2005/6215},
  subject      = {Milit{\"a}r / Geschichte},
  language  = {de}
}
@misc{ZeiherDuchKrolletal.2019,
  author    = {Zeiher, Johannes and Duch, M. and Kroll, Lars Eric and Mensink, Gerhardus Bernardus Maria and Finger, Jonas David and Keil, Thomas},
  title     = {Domain-specific physical activity patterns and cardiorespiratory fitness among adults in Germany},
  series = {The European Journal of Public Health},
  volume    = {29},
  journal   = {The European Journal of Public Health},
  number    = {Supplement. 4},
  publisher = {Oxford Univ. Press},
  address   = {Oxford},
  issn      = {1101-1262},
  pages     = {1},
  year      = {2019},
  abstract  = {Background Studies show that occupational physical activity (OPA) has less health-enhancing effects than leisure-time physical activity (LTPA). The spare data available suggests that OPA rarely includes aerobic PAs with little or no enhancing effects on cardiorespiratory fitness (CRF) as a possible explanation. This study aims to investigate the associations between patterns of OPA and LTPA and CRF among adults in Germany. Methods 1,204 men and 1,303 women (18-64 years), who participated in the German Health Interview and Examination Survey 2008-2011, completed a standardized sub-maximal cycle ergometer test to estimate maximal oxygen consumption (VO2max). Job positions were coded according to the level of physical effort to construct an occupational PA index and categorized as low vs. high OPA. LTPA was assessed via questionnaires and dichotomized in no vs. any LTPA participation. A combined LTPA/OPA variable was used (high OPA/ LTPA, low OPA/LTPA, high OPA/no LTPA, low OPA/no LTPA). Information on potential confounders was obtained via questionnaires (e.g., smoking and education) or physical measurements (e.g., waist circumference). Multi-variable logistic regression was used to analyze associations between OPA/LTPA patterns and VO2max. Results Preliminary analyses showed that less-active men were more likely to have a low VO2max with odds ratios (ORs) of 0.80 for low OPA/LTPA, 1.84 for high OPA/no LTPA and 3.46 for low OPA/no LTPA compared to high OPA/LTPA. The corresponding ORs for women were 1.11 for low OPA/LTPA, 3.99 for high OPA/no LTPA and 2.44 for low OPA/no LTPA, indicating the highest likelihood of low fitness for women working in physically demanding jobs and not engaging in LTPA. Conclusions Findings confirm a strong association between LTPA and CRF and suggest an interaction between OPA and LTPA patterns on CRF within the workforce in Germany. Women without LTPA are at high risk of having a low CRF, especially if they work in physically demanding jobs. Key messages Women not practicing leisure-time physical activity are at risk of having a low cardiorespiratory fitness, especially if they work in physically demanding jobs. Different impact of domains of physical activity should be considered when planning interventions to enhance fitness among the adult population.},
  language  = {en}
}
@misc{UenluedagPuschneratBlastenbreiHaugMoritzetal.2002,
  author    = {{\"U}nl{\"u}dag-Puschnerat, T{\^a}nia and Blastenbrei, Peter and Haug-Moritz, Gabriele and Becker, Iris and Schwenke, Stephan and Prietzel, Malte and Herfordt, Ewa and Mehrkens, Heidi and Kleinert, Kieron and Winnige, Norbert and Kroll, Stefan and S{\"a}lter, Gerhard and M{\"o}bius, Sascha and Tresp, Uwe and Franz, Matthias and Fuchs, Thomas},
  title     = {Milit{\"a}r und Gesellschaft in der Fr{\"u}hen Neuzeit},
  volume    = {6},
  number    = {2},
  organization    = {Arbeitskreis Milit{\"a}r und Gesellschaft in der Fr{\"u}hen Neuzeit e.V. (Hrsg.)},
  issn      = {1617-9722},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-28108},
  year      = {2002},
  abstract  = {Aus dem Inhalt dieser Ausgabe: BEITR{\"A}GE: Tania {\"U}nl{\"u}dag-Puschnerat: "Wir sind keine bloße S{\"o}ldnerarmee." Cromwells Revolutionsarmee 1645-49 Peter Blastenbrei: Literaten und Soldaten. Die Milit{\"a}rkritik der deutschen Aufkl{\"a}rung (Teil 1) PROJEKTE: Gabriele Haug-Moritz: "Geschwinde Welt". Krieg und {\"o}ffentliche Kommunikatrion 1542-1554 Iris Becker: Milit{\"a}r und Aufkl{\"a}rung - Die Rolle der Soldatenbibliotheken im milit{\"a}rischen Bildungs- und Reformprozess Stephan Schwenke: Stadt und Milit{\"a}r - Armee und Bev{\"o}lkerung. Untersuchungen zu hessischen Festungs- und Garnisonsst{\"a}dten Malte Prietzel: Mittelalterliche Kriegsgeschichte als Kulturgeschichte Ewa Herfordt/Heidi Mehrkens: Frankreich und Deutschland im Krieg. Zur Kulturgeschichte der europ{\"a}ischen "Erbfeindschaft" Kieron Kleinert: Dialog oder Konfrontation? Der Rat der Stadt Leipzig - sein Verh{\"a}ltnis zu Universit{\"a}t und Garnison BERICHTE: Norbert Winnige: Protokoll der Mitgliederversammlung des AMG Stefan Kroll: Tagungsbericht: Milit{\"a}r und Religiosit{\"a}t in der Fr{\"u}hen Neuzeit Gerhard S{\"a}lter: Legislationspraxis in der Vormoderne. Bericht {\"u}ber die 5. Tagung des APO REZENSIONEN: Sascha M{\"o}bius: Constantin Hruschka, Kriegsf{\"u}hrung und Geschichtsschreibung im Sp{\"a}tmittelalter. Eine Untersuchung zur Chronistik der Konzilszeit, K{\"o}ln et al. 2001 Uwe Tresp: Stephan Selzer, Deutsche S{\"o}ldner im Italien des Trecento, T{\"u}bingen: Niemeyer, 2001 Matthias Franz: S{\"o}ldnerleben am Vorabend des Dreißigj{\"a}hrigen Krieges, hrsg. und bearbeitet von Holger Th. Gr{\"a}f. Mit Beitr{\"a}gen von Sven Externbrink und Ralf Pr{\"o}ve, Marburg a. d. Lahn 2000 Thomas Fuchs: Was ist Milit{\"a}rgeschichte?, hrsg. von Thomas K{\"u}hne und Benjamin Ziemann in Verbindung mit dem Arbeitskreis Mili-t{\"a}rgeschichte e. V. und dem Institut f{\"u}r soziale Bewegungen der Ruhr-Universit{\"a}t Bochum, Paderborn, M{\"u}nchen, Wien, Z{\"u}rich: Ferdinand Sch{\"o}ningh 2000},
  subject      = {Milit{\"a}r / Geschichte},
  language  = {de}
}
@article{ZollerBethBinosietal.2005,
  author    = {Zoller, Peter and Beth, Thomas and Binosi, D. and Blatt, Rainer and Briegel, Hans J. and Bruss, D. and Calarco, Tommaso and Cirac, Juan Ignacio and Deutsch, David and Eisert, Jens and Ekert, Artur and Fabre, Claude and Gisin, Nicolas and Grangiere, P. and Grassl, Markus and Haroche, Serge and Imamoglu, Atac and Karlson, A. and Kempe, Julia and Kouwenhoven, Leo P. and Kr{\"o}ll, S. and Leuchs, Gerd and Lewenstein, Maciej and Loss, Daniel and L{\"u}tkenhaus, Norbert and Massar, Serge and Mooij, J. E. and Plenio, Martin Bodo and Polzik, Eugene and Popescu, Sandu and Rempe, Gerhard and Sergienko, Alexander and Suter, David and Twamley, John and Wendin, G{\"o}ran and Werner, Reinhard F. and Winter, Andreas and Wrachtrup, J{\"o}rg and Zeilinger, Anton},
  title     = {Quantum information processing and communication : Strategic report on current status, visions and goals for research in Europe},
  issn      = {1434-6060},
  year      = {2005},
  abstract  = {We present an excerpt of the document "Quantum Information Processing and Communication: Strategic report on current status, visions and goals for research in Europe", which has been recently published in electronic form at the website of FET (the Future and Emerging Technologies Unit of the Directorate General Information Society of the European Commission, http://www.cordis.lu/ist/fet/qipc-sr.htm). This document has been elaborated, following a former suggestion by FET, by a committee of QIPC scientists to provide input towards the European Commission for the preparation of the Seventh Framework Program. Besides being a document addressed to policy makers and funding agencies (both at the European and national level), the document contains a detailed scientific assessment of the state-of-the-art, main research goals, challenges, strengths, weaknesses, visions and perspectives of all the most relevant QIPC sub-fields, that we report here},
  language  = {en}
}
@book{JahnkeHergetKroll2001,
  author    = {Jahnke, Thomas and Herget, Wilfried and Kroll, Wolfgang},
  title     = {Produktive Aufgaben f{\"u}r den Mathematikunterricht Sekundarstufe 1 : Mathematik f{\"u}r die Unterrichtsvorbereitung ; Kopiervorlagen, L{\"o}sungshinweise, Word- und PDF-Dateien ; Lehrersoftware},
  publisher = {Cornelsen},
  address   = {Berlin},
  pages     = {1 CD-ROM},
  year      = {2001},
  language  = {de}
}
@book{JahnkeHergetKroll2001,
  author    = {Jahnke, Thomas and Herget, Wilfried and Kroll, Wolfgang},
  title     = {Produktive Aufgaben f{\"u}r den Mathematikunterricht in der Sekundarstufe I},
  publisher = {Cornelsen},
  address   = {Berlin},
  isbn      = {3-464-54360-9},
  pages     = {208 S.},
  year      = {2001},
  language  = {de}
}
@article{KubinGuoKrolletal.2018,
  author    = {Kubin, Markus and Guo, Meiyuan and Kroll, Thomas and Loechel, Heike and Kallman, Erik and Baker, Michael L. and Mitzner, Rolf and Gul, Sheraz and Kern, Jan and F{\"o}hlisch, Alexander and Erko, Alexei and Bergmann, Uwe and Yachandra, Vittal and Yano, Junko and Lundberg, Marcus and Wernet, Philippe},
  title     = {Probing the oxidation state of transition metal complexes},
  series = {Chemical science},
  volume    = {9},
  journal   = {Chemical science},
  number    = {33},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {2041-6520},
  doi       = {10.1039/c8sc00550h},
  pages     = {6813 -- 6829},
  year      = {2018},
  abstract  = {Transition metals in inorganic systems and metalloproteins can occur in different oxidation states, which makes them ideal redox-active catalysts. To gain a mechanistic understanding of the catalytic reactions, knowledge of the oxidation state of the active metals, ideally in operando, is therefore critical. L-edge X-ray absorption spectroscopy (XAS) is a powerful technique that is frequently used to infer the oxidation state via a distinct blue shift of L-edge absorption energies with increasing oxidation state. A unified description accounting for quantum-chemical notions whereupon oxidation does not occur locally on the metal but on the whole molecule and the basic understanding that L-edge XAS probes the electronic structure locally at the metal has been missing to date. Here we quantify how charge and spin densities change at the metal and throughout the molecule for both redox and core-excitation processes. We explain the origin of the L-edge XAS shift between the high-spin complexes Mn-II(acac)(2) and Mn-III(acac)(3) as representative model systems and use ab initio theory to uncouple effects of oxidation-state changes from geometric effects. The shift reflects an increased electron affinity of Mn-III in the core-excited states compared to the ground state due to a contraction of the Mn 3d shell upon core-excitation with accompanied changes in the classical Coulomb interactions. This new picture quantifies how the metal-centered core hole probes changes in formal oxidation state and encloses and substantiates earlier explanations. The approach is broadly applicable to mechanistic studies of redox-catalytic reactions in molecular systems where charge and spin localization/delocalization determine reaction pathways.},
  language  = {en}
}
@misc{KubinGuoKrolletal.2018,
  author    = {Kubin, Markus and Guo, Meiyuan and Kroll, Thomas and L{\"o}chel, Heike and K{\"a}llman, Erik and Baker, Michael L. and Mitzner, Rolf and Gul, Sheraz and Kern, Jan and F{\"o}hlisch, Alexander and Erko, Alexei and Bergmann, Uwe and Yachandra, Vittal and Yano, Junko and Lundberg, Marcus and Wernet, Philippe},
  title     = {Probing the oxidation state of transition metal complexes},
  series = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe},
  journal   = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe},
  number    = {656},
  issn      = {1866-8372},
  doi       = {10.25932/publishup-42505},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-425057},
  pages     = {17},
  year      = {2018},
  abstract  = {Transition metals in inorganic systems and metalloproteins can occur in different oxidation states, which makes them ideal redox-active catalysts. To gain a mechanistic understanding of the catalytic reactions, knowledge of the oxidation state of the active metals, ideally in operando, is therefore critical. L-edge X-ray absorption spectroscopy (XAS) is a powerful technique that is frequently used to infer the oxidation state via a distinct blue shift of L-edge absorption energies with increasing oxidation state. A unified description accounting for quantum-chemical notions whereupon oxidation does not occur locally on the metal but on the whole molecule and the basic understanding that L-edge XAS probes the electronic structure locally at the metal has been missing to date. Here we quantify how charge and spin densities change at the metal and throughout the molecule for both redox and core-excitation processes. We explain the origin of the L-edge XAS shift between the high-spin complexes Mn-II(acac)(2) and Mn-III(acac)(3) as representative model systems and use ab initio theory to uncouple effects of oxidation-state changes from geometric effects. The shift reflects an increased electron affinity of Mn-III in the core-excited states compared to the ground state due to a contraction of the Mn 3d shell upon core-excitation with accompanied changes in the classical Coulomb interactions. This new picture quantifies how the metal-centered core hole probes changes in formal oxidation state and encloses and substantiates earlier explanations. The approach is broadly applicable to mechanistic studies of redox-catalytic reactions in molecular systems where charge and spin localization/delocalization determine reaction pathways.},
  language  = {en}
}
@article{KubinKernGuletal.2017,
  author    = {Kubin, Markus and Kern, Jan and Gul, Sheraz and Kroll, Thomas and Chatterjee, Ruchira and Loechel, Heike and Fuller, Franklin D. and Sierra, Raymond G. and Quevedo, Wilson and Weniger, Christian and Rehanek, Jens and Firsov, Anatoly and Laksmono, Hartawan and Weninger, Clemens and Alonso-Mori, Roberto and Nordlund, Dennis L. and Lassalle-Kaiser, Benedikt and Glownia, James M. and Krzywinski, Jacek and Moeller, Stefan and Turner, Joshua J. and Minitti, Michael P. and Dakovski, Georgi L. and Koroidov, Sergey and Kawde, Anurag and Kanady, Jacob S. and Tsui, Emily Y. and Suseno, Sandy and Han, Zhiji and Hill, Ethan and Taguchi, Taketo and Borovik, Andrew S. and Agapie, Theodor and Messinger, Johannes and Erko, Alexei and F{\"o}hlisch, Alexander and Bergmann, Uwe and Mitzner, Rolf and Yachandra, Vittal K. and Yano, Junko and Wernet, Philippe},
  title     = {Soft x-ray absorption spectroscopy of metalloproteins and high-valent metal-complexes at room temperature using free-electron lasers},
  series = {Structural dynamics},
  volume    = {4},
  journal   = {Structural dynamics},
  publisher = {American Institute of Physics},
  address   = {Melville},
  issn      = {2329-7778},
  doi       = {10.1063/1.4986627},
  pages     = {16},
  year      = {2017},
  abstract  = {X-ray absorption spectroscopy at the L-edge of 3d transition metals provides unique information on the local metal charge and spin states by directly probing 3d-derived molecular orbitals through 2p-3d transitions. However, this soft x-ray technique has been rarely used at synchrotron facilities for mechanistic studies of metalloenzymes due to the difficulties of x-ray-induced sample damage and strong background signals from light elements that can dominate the low metal signal. Here, we combine femtosecond soft x-ray pulses from a free-electron laser with a novel x-ray fluorescence-yield spectrometer to overcome these difficulties. We present L-edge absorption spectra of inorganic high-valent Mn complexes (Mn similar to 6-15 mmol/l) with no visible effects of radiation damage. We also present the first L-edge absorption spectra of the oxygen evolving complex (Mn4CaO5) in Photosystem II (Mn < 1 mmol/l) at room temperature, measured under similar conditions. Our approach opens new ways to study metalloenzymes under functional conditions. (C) 2017 Author(s).},
  language  = {en}
}
@article{KrollKernKubinetal.2016,
  author    = {Kroll, Thomas and Kern, Jan and Kubin, Markus and Ratner, Daniel and Gul, Sheraz and Fuller, Franklin D. and L{\"o}chel, Heike and Krzywinski, Jacek and Lutman, Alberto and Ding, Yuantao and Dakovski, Georgi L. and Moeller, Stefan and Turner, Joshua J. and Alonso-Mori, Roberto and Nordlund, Dennis L. and Rehanek, Jens and Weniger, Christian and Firsov, Alexander and Brzhezinskaya, Maria and Chatterjee, Ruchira and Lassalle-Kaiser, Benedikt and Sierra, Raymond G. and Laksmono, Hartawan and Hill, Ethan and Borovik, Andrew S. and Erko, Alexei and F{\"o}hlisch, Alexander and Mitzner, Rolf and Yachandra, Vittal K. and Yano, Junko and Wernet, Philippe and Bergmann, Uwe},
  title     = {X-ray absorption spectroscopy using a self-seeded soft X-ray free-electron laser},
  series = {Optics express : the international electronic journal of optics},
  volume    = {24},
  journal   = {Optics express : the international electronic journal of optics},
  publisher = {Optical Society of America},
  address   = {Washington},
  issn      = {1094-4087},
  doi       = {10.1364/OE.24.022469},
  pages     = {22469 -- 22480},
  year      = {2016},
  abstract  = {X-ray free electron lasers (XFELs) enable unprecedented new ways to study the electronic structure and dynamics of transition metal systems. L-edge absorption spectroscopy is a powerful technique for such studies and the feasibility of this method at XFELs for solutions and solids has been demonstrated. However, the required x-ray bandwidth is an order of magnitude narrower than that of self-amplified spontaneous emission (SASE), and additional monochromatization is needed. Here we compare L-edge x-ray absorption spectroscopy (XAS) of a prototypical transition metal system based on monochromatizing the SASE radiation of the linac coherent light source (LCLS) with a new technique based on self-seeding of LCLS. We demonstrate how L-edge XAS can be performed using the self-seeding scheme without the need of an additional beam line monochromator. We show how the spectral shape and pulse energy depend on the undulator setup and how this affects the x-ray spectroscopy measurements. (C) 2016 Optical Society of America},
  language  = {en}
}