TY - JOUR A1 - Kliem, Bernhard A1 - Schwarz, Udo A1 - Kurths, Jürgen A1 - Dennis, Brian A1 - Schwartz, Richard A1 - Aschwanden, Markus J. T1 - Wavelet analysis of solar flare hard X-ray Y1 - 1998 SN - 0004-637x ER - TY - JOUR A1 - Horikoshi, Momoko A1 - Yaghootkar, Hanieh A1 - Mook-Kanamori, Dennis O. A1 - Sovio, Ulla A1 - Taal, H. Rob A1 - Hennig, Branwen J. A1 - Bradfield, Jonathan P. A1 - St Pourcain, Beate A1 - Evans, David M. A1 - Charoen, Pimphen A1 - Kaakinen, Marika A1 - Cousminer, Diana L. A1 - Lehtimaki, Terho A1 - Kreiner-Moller, Eskil A1 - Warrington, Nicole M. A1 - Bustamante, Mariona A1 - Feenstra, Bjarke A1 - Berry, Diane J. A1 - Thiering, Elisabeth A1 - Pfab, Thiemo A1 - Barton, Sheila J. A1 - Shields, Beverley M. A1 - Kerkhof, Marjan A1 - van Leeuwen, Elisabeth M. A1 - Fulford, Anthony J. A1 - Kutalik, Zoltan A1 - Zhao, Jing Hua A1 - den Hoed, Marcel A1 - Mahajan, Anubha A1 - Lindi, Virpi A1 - Goh, Liang-Kee A1 - Hottenga, Jouke-Jan A1 - Wu, Ying A1 - Raitakari, Olli T. A1 - Harder, Marie N. A1 - Meirhaeghe, Aline A1 - Ntalla, Ioanna A1 - Salem, Rany M. A1 - Jameson, Karen A. A1 - Zhou, Kaixin A1 - Monies, Dorota M. A1 - Lagou, Vasiliki A1 - Kirin, Mirna A1 - Heikkinen, Jani A1 - Adair, Linda S. A1 - Alkuraya, Fowzan S. A1 - Al-Odaib, Ali A1 - Amouyel, Philippe A1 - Andersson, Ehm Astrid A1 - Bennett, Amanda J. A1 - Blakemore, Alexandra I. F. A1 - Buxton, Jessica L. A1 - Dallongeville, Jean A1 - Das, Shikta A1 - de Geus, Eco J. C. A1 - Estivill, Xavier A1 - Flexeder, Claudia A1 - Froguel, Philippe A1 - Geller, Frank A1 - Godfrey, Keith M. A1 - Gottrand, Frederic A1 - Groves, Christopher J. A1 - Hansen, Torben A1 - Hirschhorn, Joel N. A1 - Hofman, Albert A1 - Hollegaard, Mads V. A1 - Hougaard, David M. A1 - Hyppoenen, Elina A1 - Inskip, Hazel M. A1 - Isaacs, Aaron A1 - Jorgensen, Torben A1 - Kanaka-Gantenbein, Christina A1 - Kemp, John P. A1 - Kiess, Wieland A1 - Kilpelainen, Tuomas O. A1 - Klopp, Norman A1 - Knight, Bridget A. A1 - Kuzawa, Christopher W. A1 - McMahon, George A1 - Newnham, John P. A1 - Niinikoski, Harri A1 - Oostra, Ben A. A1 - Pedersen, Louise A1 - Postma, Dirkje S. A1 - Ring, Susan M. A1 - Rivadeneira, Fernando A1 - Robertson, Neil R. A1 - Sebert, Sylvain A1 - Simell, Olli A1 - Slowinski, Torsten A1 - Tiesler, Carla M. T. A1 - Toenjes, Anke A1 - Vaag, Allan A1 - Viikari, Jorma S. A1 - Vink, Jacqueline M. A1 - Vissing, Nadja Hawwa A1 - Wareham, Nicholas J. A1 - Willemsen, Gonneke A1 - Witte, Daniel R. A1 - Zhang, Haitao A1 - Zhao, Jianhua A1 - Wilson, James F. A1 - Stumvoll, Michael A1 - Prentice, Andrew M. A1 - Meyer, Brian F. A1 - Pearson, Ewan R. A1 - Boreham, Colin A. G. A1 - Cooper, Cyrus A1 - Gillman, Matthew W. A1 - Dedoussis, George V. A1 - Moreno, Luis A. A1 - Pedersen, Oluf A1 - Saarinen, Maiju A1 - Mohlke, Karen L. A1 - Boomsma, Dorret I. A1 - Saw, Seang-Mei A1 - Lakka, Timo A. A1 - Koerner, Antje A1 - Loos, Ruth J. F. A1 - Ong, Ken K. A1 - Vollenweider, Peter A1 - van Duijn, Cornelia M. A1 - Koppelman, Gerard H. A1 - Hattersley, Andrew T. A1 - Holloway, John W. A1 - Hocher, Berthold A1 - Heinrich, Joachim A1 - Power, Chris A1 - Melbye, Mads A1 - Guxens, Monica A1 - Pennell, Craig E. A1 - Bonnelykke, Klaus A1 - Bisgaard, Hans A1 - Eriksson, Johan G. A1 - Widen, Elisabeth A1 - Hakonarson, Hakon A1 - Uitterlinden, Andre G. A1 - Pouta, Anneli A1 - Lawlor, Debbie A. A1 - Smith, George Davey A1 - Frayling, Timothy M. A1 - McCarthy, Mark I. A1 - Grant, Struan F. A. A1 - Jaddoe, Vincent W. V. A1 - Jarvelin, Marjo-Riitta A1 - Timpson, Nicholas J. A1 - Prokopenko, Inga A1 - Freathy, Rachel M. T1 - New loci associated with birth weight identify genetic links between intrauterine growth and adult height and metabolism JF - Nature genetics N2 - Birth weight within the normal range is associated with a variety of adult-onset diseases, but the mechanisms behind these associations are poorly understood(1). Previous genome-wide association studies of birth weight identified a variant in the ADCY5 gene associated both with birth weight and type 2 diabetes and a second variant, near CCNL1, with no obvious link to adult traits(2). In an expanded genome-wide association metaanalysis and follow-up study of birth weight (of up to 69,308 individuals of European descent from 43 studies), we have now extended the number of loci associated at genome-wide significance to 7, accounting for a similar proportion of variance as maternal smoking. Five of the loci are known to be associated with other phenotypes: ADCY5 and CDKAL1 with type 2 diabetes, ADRB1 with adult blood pressure and HMGA2 and LCORL with adult height. Our findings highlight genetic links between fetal growth and postnatal growth and metabolism. Y1 - 2013 U6 - https://doi.org/10.1038/ng.2477 SN - 1061-4036 VL - 45 IS - 1 SP - 76 EP - U115 PB - Nature Publ. Group CY - New York ER - TY - JOUR A1 - Wernet, Philippe A1 - Kunnus, Kristjan A1 - Josefsson, Ida A1 - Rajkovic, Ivan A1 - Quevedo, Wilson A1 - Beye, Martin A1 - Schreck, Simon A1 - Gruebel, S. A1 - Scholz, Mirko A1 - Nordlund, Dennis A1 - Zhang, Wenkai A1 - Hartsock, Robert W. A1 - Schlotter, William F. A1 - Turner, Joshua J. A1 - Kennedy, Brian A1 - Hennies, Franz A1 - de Groot, Frank M. F. A1 - Gaffney, Kelly J. A1 - Techert, Simone A1 - Odelius, Michael A1 - Föhlisch, Alexander T1 - Orbital-specific mapping of the ligand exchange dynamics of Fe(CO)(5) in solution JF - Nature : the international weekly journal of science N2 - Transition-metal complexes have long attracted interest for fundamental chemical reactivity studies and possible use in solar energy conversion(1,2). Electronic excitation, ligand loss from the metal centre, or a combination of both, creates changes in charge and spin density at the metal site(3-11) that need to be controlled to optimize complexes for photocatalytic hydrogen production(8) and selective carbon-hydrogen bond activation(9-11). An understanding at the molecular level of how transition-metal complexes catalyse reactions, and in particular of the role of the short-lived and reactive intermediate states involved, will be critical for such optimization. However, suitable methods for detailed characterization of electronic excited states have been lacking. Here we show, with the use of X-ray laser-based femtosecond-resolution spectroscopy and advanced quantum chemical theory to probe the reaction dynamics of the benchmark transition-metal complex Fe(CO)(5) in solution, that the photo-induced removal of CO generates the 16-electron Fe(CO)(4) species, a homogeneous catalyst(12,13) with an electron deficiency at the Fe centre(14,15), in a hitherto unreported excited singlet state that either converts to the triplet ground state or combines with a CO or solvent molecule to regenerate a penta-coordinated Fe species on a sub-picosecond timescale. This finding, which resolves the debate about the relative importance of different spin channels in the photochemistry of Fe(CO)(5) (refs 4, 16-20), was made possible by the ability of femtosecond X-ray spectroscopy to probe frontier-orbital interactions with atom specificity. We expect the method to be broadly applicable in the chemical sciences, and to complement approaches that probe structural dynamics in ultrafast processes. Y1 - 2015 U6 - https://doi.org/10.1038/nature14296 SN - 0028-0836 SN - 1476-4687 VL - 520 IS - 7545 SP - 78 EP - 81 PB - Nature Publ. Group CY - London ER - TY - JOUR A1 - Kunnus, Kristjan A1 - Josefsson, Ida A1 - Rajkovic, Ivan A1 - Schreck, Simon A1 - Quevedo, Wilson A1 - Beye, Martin A1 - Grübel, Sebastian A1 - Scholz, Mirko A1 - Nordlund, Dennis A1 - Zhang, Wenkai A1 - Hartsock, Robert W. A1 - Gaffney, Kelly J. A1 - Schlotter, William F. A1 - Turner, Joshua J. A1 - Kennedy, Brian A1 - Hennies, Franz A1 - Techert, Simone A1 - Wernet, Philippe A1 - Odelius, Michael A1 - Föhlisch, Alexander T1 - Anti-Stokes resonant x-ray Raman scattering for atom specific and excited state selective dynamics JF - NEW JOURNAL OF PHYSICS N2 - Ultrafast electronic and structural dynamics of matter govern rate and selectivity of chemical reactions, as well as phase transitions and efficient switching in functional materials. Since x-rays determine electronic and structural properties with elemental, chemical, orbital and magnetic selectivity, short pulse x-ray sources have become central enablers of ultrafast science. Despite of these strengths, ultrafast x-rays have been poor at picking up excited state moieties from the unexcited ones. With time-resolved anti-Stokes resonant x-ray Raman scattering (AS-RXRS) performed at the LCLS, and ab initio theory we establish background free excited state selectivity in addition to the elemental, chemical, orbital and magnetic selectivity of x-rays. This unparalleled selectivity extracts low concentration excited state species along the pathway of photo induced ligand exchange of Fe(CO)(5) in ethanol. Conceptually a full theoretical treatment of all accessible insights to excited state dynamics with AS-RXRS with transform-limited x-ray pulses is given-which will be covered experimentally by upcoming transform-limited x-ray sources. KW - ultrafast photochemistry KW - excited state selectivity KW - anti-Stokes resonant x-ray raman scattering KW - free electron lasers KW - resonant inelastic x-ray scattering Y1 - 2016 U6 - https://doi.org/10.1088/1367-2630/18/10/103011 SN - 1367-2630 VL - 18 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Sellberg, Jonas A. A1 - McQueen, Trevor A. A1 - Laksmono, Hartawan A1 - Schreck, Simon A1 - Beye, Martin A1 - DePonte, Daniel P. A1 - Kennedy, Brian A1 - Nordlund, Dennis A1 - Sierra, Raymond G. A1 - Schlesinger, Daniel A1 - Tokushima, Takashi A1 - Zhovtobriukh, Iurii A1 - Eckert, Sebastian A1 - Segtnan, Vegard H. A1 - Ogasawara, Hirohito A1 - Kubicek, Katharina A1 - Techert, Simone A1 - Bergmann, Uwe A1 - Dakovski, Georgi L. A1 - Schlotter, William F. A1 - Harada, Yoshihisa A1 - Bogan, Michael J. A1 - Wernet, Philippe A1 - Föhlisch, Alexander A1 - Pettersson, Lars G. M. A1 - Nilsson, Anders T1 - X-ray emission spectroscopy of bulk liquid water in "no-man's land" JF - The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr N2 - The structure of bulk liquid water was recently probed by x-ray scattering below the temperature limit of homogeneous nucleation (T-H) of similar to 232 K [J. A. Sellberg et al., Nature 510, 381-384 (2014)]. Here, we utilize a similar approach to study the structure of bulk liquid water below T-H using oxygen K-edge x-ray emission spectroscopy (XES). Based on previous XES experiments [T. Tokushima et al., Chem. Phys. Lett. 460, 387-400 (2008)] at higher temperatures, we expected the ratio of the 1b(1)' and 1b(1)" peaks associated with the lone-pair orbital in water to change strongly upon deep supercooling as the coordination of the hydrogen (H-) bonds becomes tetrahedral. In contrast, we observed only minor changes in the lone-pair spectral region, challenging an interpretation in terms of two interconverting species. A number of alternative hypotheses to explain the results are put forward and discussed. Although the spectra can be explained by various contributions from these hypotheses, we here emphasize the interpretation that the line shape of each component changes dramatically when approaching lower temperatures, where, in particular, the peak assigned to the proposed disordered component would become more symmetrical as vibrational interference becomes more important. (C) 2015 AIP Publishing LLC. Y1 - 2015 U6 - https://doi.org/10.1063/1.4905603 SN - 0021-9606 SN - 1089-7690 VL - 142 IS - 4 PB - American Institute of Physics CY - Melville ER - TY - JOUR A1 - Kunnus, Kristjan A1 - Rajkovic, Ivan A1 - Schreck, Simon A1 - Quevedo, Wilson A1 - Eckert, Sebastian A1 - Beye, Martin A1 - Suljoti, Edlira A1 - Weniger, Christian A1 - Kalus, Christian A1 - Gruebel, Sebastian A1 - Scholz, Mirko A1 - Nordlund, Dennis A1 - Zhang, Wenkai A1 - Hartsock, Robert W. A1 - Gaffney, Kelly J. A1 - Schlotter, William F. A1 - Turner, Joshua J. A1 - Kennedy, Brian A1 - Hennies, Franz A1 - Techert, Simone A1 - Wernet, Philippe A1 - Föhlisch, Alexander T1 - A setup for resonant inelastic soft x-ray scattering on liquids at free electron laser light sources JF - Review of scientific instruments : a monthly journal devoted to scientific instruments, apparatus, and techniques N2 - We present a flexible and compact experimental setup that combines an in vacuum liquid jet with an x-ray emission spectrometer to enable static and femtosecond time-resolved resonant inelastic soft x-ray scattering (RIXS) measurements from liquids at free electron laser (FEL) light sources. We demonstrate the feasibility of this type of experiments with the measurements performed at the Linac Coherent Light Source FEL facility. At the FEL we observed changes in the RIXS spectra at high peak fluences which currently sets a limit to maximum attainable count rate at FELs. The setup presented here opens up new possibilities to study the structure and dynamics in liquids. Y1 - 2012 U6 - https://doi.org/10.1063/1.4772685 SN - 0034-6748 VL - 83 IS - 12 PB - American Institute of Physics CY - Melville ER - TY - JOUR A1 - Jay, Raphael M. A1 - Norell, Jesper A1 - Eckert, Sebastian A1 - Hantschmann, Markus A1 - Beye, Martin A1 - Kennedy, Brian A1 - Quevedo, Wilson A1 - Schlotter, William F. A1 - Dakovski, Georgi L. A1 - Minitti, Michael P. A1 - Hoffmann, Matthias C. A1 - Mitra, Ankush A1 - Moeller, Stefan P. A1 - Nordlund, Dennis A1 - Zhang, Wenkai A1 - Liang, Huiyang W. A1 - Kunnus, Kristian A1 - Kubicek, Katharina A1 - Techert, Simone A. A1 - Lundberg, Marcus A1 - Wernet, Philippe A1 - Gaffney, Kelly A1 - Odelius, Michael A1 - Föhlisch, Alexander T1 - Disentangling Transient Charge Density and Metal-Ligand Covalency in Photoexcited Ferricyanide with Femtosecond Resonant Inelastic Soft X-ray Scattering JF - The journal of physical chemistry letters N2 - Soft X-ray spectroscopies are ideal probes of the local valence electronic structure of photocatalytically active metal sites. Here, we apply the selectivity of time resolved resonant inelastic X-ray scattering at the iron L-edge to the transient charge distribution of an optically excited charge-transfer state in aqueous ferricyanide. Through comparison to steady-state spectra and quantum chemical calculations, the coupled effects of valence-shell closing and ligand-hole creation are experimentally and theoretically disentangled and described in terms of orbital occupancy, metal-ligand covalency, and ligand field splitting, thereby extending established steady-state concepts to the excited-state domain. pi-Back-donation is found to be mainly determined by the metal site occupation, whereas the ligand hole instead influences sigma-donation. Our results demonstrate how ultrafast resonant inelastic X-ray scattering can help characterize local charge distributions around catalytic metal centers in short-lived charge-transfer excited states, as a step toward future rationalization and tailoring of photocatalytic capabilities of transition-metal complexes. Y1 - 2018 U6 - https://doi.org/10.1021/acs.jpclett.8b01429 SN - 1948-7185 VL - 9 IS - 12 SP - 3538 EP - 3543 PB - American Chemical Society CY - Washington ER - TY - JOUR A1 - Schreck, Simon A1 - Beye, Martin A1 - Sellberg, Jonas A. A1 - McQueen, Trevor A1 - Laksmono, Hartawan A1 - Kennedy, Brian A1 - Eckert, Sebastian A1 - Schlesinger, Daniel A1 - Nordlund, Dennis A1 - Ogasawara, Hirohito A1 - Sierra, Raymond G. A1 - Segtnan, Vegard H. A1 - Kubicek, Katharina A1 - Schlotter, William F. A1 - Dakovski, Georgi L. A1 - Moeller, Stefan P. A1 - Bergmann, Uwe A1 - Techert, Simone A1 - Pettersson, Lars G. M. A1 - Wernet, Philippe A1 - Bogan, Michael J. A1 - Harada, Yoshihisa A1 - Nilsson, Anders A1 - Föhlisch, Alexander T1 - Reabsorption of soft x-ray emission at high x-ray free-electron laserfluences JF - Physical review letters N2 - We report on oxygen K-edge soft x-ray emission spectroscopy from a liquid water jet at the Linac Coherent Light Source. We observe significant changes in the spectral content when tuning over a wide range of incident x-ray fluences. In addition the total emission yield decreases at high fluences. These modifications result from reabsorption of x-ray emission by valence-excited molecules generated by the Auger cascade. Our observations have major implications for future x-ray emission studies at intense x-ray sources. We highlight the importance of the x-ray pulse length with respect to the core-hole lifetime. Y1 - 2014 U6 - https://doi.org/10.1103/PhysRevLett.113.153002 SN - 0031-9007 SN - 1079-7114 VL - 113 IS - 15 PB - American Physical Society CY - College Park ER -