TY - GEN A1 - Beaumont, Robin N. A1 - Warrington, Nicole M. A1 - Cavadino, Alana A1 - Tyrrell, Jessica A1 - Nodzenski, Michael A1 - Horikoshi, Momoko A1 - Geller, Frank A1 - Myhre, Ronny A1 - Richmond, Rebecca C. A1 - Paternoster, Lavinia A1 - Bradfield, Jonathan P. A1 - Kreiner-Møller, Eskil A1 - Huikari, Ville A1 - Metrustry, Sarah A1 - Lunetta, Kathryn L. A1 - Painter, Jodie N. A1 - Hottenga, Jouke-Jan A1 - Allard, Catherine A1 - Barton, Sheila J. A1 - Espinosa, Ana A1 - Marsh, Julie A. A1 - Potter, Catherine A1 - Zhang, Ge A1 - Ang, Wei A1 - Berry, Diane J. A1 - Bouchard, Luigi A1 - Das, Shikta A1 - Hakonarson, Hakon A1 - Heikkinen, Jani A1 - Helgeland, Øyvind A1 - Hocher, Berthold A1 - Hofman, Albert A1 - Inskip, Hazel M. A1 - Jones, Samuel E. A1 - Kogevinas, Manolis A1 - Lind, Penelope A. A1 - Marullo, Letizia A1 - Medland, Sarah E. A1 - Murray, Anna A1 - Murray, Jeffrey C. A1 - Njølstad, Pa ̊l R. A1 - Nohr, Ellen A. A1 - Reichetzeder, Christoph A1 - Ring, Susan M. A1 - Ruth, Katherine S. A1 - Santa-Marina, Loreto A1 - Scholtens, Denise M. A1 - Sebert, Sylvain A1 - Sengpiel, Verena A1 - Tuke, Marcus A. A1 - Vaudel, Marc A1 - Weedon, Michael N. A1 - Willemsen, Gonneke A1 - Wood, Andrew R. A1 - Yaghootkar, Hanieh A1 - Muglia, Louis J. A1 - Bartels, Meike A1 - Relton, Caroline L. A1 - Pennell, Craig E. A1 - Chatzi, Leda A1 - Estivill, Xavier A1 - Holloway, John W. A1 - Boomsma, Dorret I. A1 - Montgomery, Grant W. A1 - Murabito, Joanne M. A1 - Spector, Tim D. A1 - Power, Christine A1 - Ja ̈rvelin, Marjo-Ritta A1 - Bisgaard, Hans A1 - Grant, Struan F.A. A1 - Sørensen, Thorkild I.A. A1 - Jaddoe, Vincent W. A1 - Jacobsson, Bo A1 - Melbye, Mads A1 - McCarthy, Mark I. A1 - Hattersley, Andrew T. A1 - Hayes, M. Geoffrey A1 - Frayling, Timothy M. A1 - Hivert, Marie-France A1 - Felix, Janine F. A1 - Hyppo ̈nen, Elina A1 - Lowe, William L. , Jr A1 - Evans, David M. A1 - Lawlor, Debbie A. A1 - Feenstra, Bjarke A1 - Freathy, Rachel M. T1 - Genome-wide association study of offspring birth weight in 86 577 women identifies five novel loci and highlights maternal genetic effects that are independent of fetal genetics T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - Genome-wide association studies of birth weight have focused on fetal genetics, whereas relatively little is known about the role of maternal genetic variation. We aimed to identify maternal genetic variants associated with birth weight that could highlight potentially relevant maternal determinants of fetal growth. We meta-analysed data on up to 8.7 million SNPs in up to 86 577 women of European descent from the Early Growth Genetics (EGG) Consortium and the UK Biobank. We used structural equation modelling (SEM) and analyses of mother–child pairs to quantify the separate maternal and fetal genetic effects. Maternal SNPs at 10 loci (MTNR1B, HMGA2, SH2B3, KCNAB1, L3MBTL3, GCK, EBF1, TCF7L2, ACTL9, CYP3A7) were associated with offspring birth weight at P < 5 Â 10 À8 . In SEM analyses, at least 7 of the 10 associations were consistent with effects of the maternal genotype acting via the intrauterine environment, rather than via effects of shared alleles with the fetus. Variants, or correlated proxies, at many of the loci had been previously associated with adult traits, including fasting glucose (MTNR1B, GCK and TCF7L2) and sex hormone levels (CYP3A7), and one (EBF1) with gestational duration. The identified associations indicate that genetic effects on maternal glucose, cytochrome P450 activity and gestational duration, and potentially on maternal blood pressure and immune function, are relevant for fetal growth. Further characterization of these associations in mechanistic and causal analyses will enhance understanding of the potentially modifiable maternal determinants of fetal growth, with the goal of reducing the morbidity and mortality associated with low and high birth weights. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 628 KW - alleles KW - birth weight KW - fetus KW - genotype KW - mothers KW - single nucleotide polymorphism KW - genetics KW - duration of gestation KW - genome-wide association study KW - offspring KW - biobanks Y1 - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-423100 SN - 1866-8372 IS - 628 ER - TY - JOUR A1 - Kroll, Thomas A1 - Kern, Jan A1 - Kubin, Markus A1 - Ratner, Daniel A1 - Gul, Sheraz A1 - Fuller, Franklin D. A1 - Löchel, Heike A1 - Krzywinski, Jacek A1 - Lutman, Alberto A1 - Ding, Yuantao A1 - Dakovski, Georgi L. A1 - Moeller, Stefan A1 - Turner, Joshua J. A1 - Alonso-Mori, Roberto A1 - Nordlund, Dennis L. A1 - Rehanek, Jens A1 - Weniger, Christian A1 - Firsov, Alexander A1 - Brzhezinskaya, Maria A1 - Chatterjee, Ruchira A1 - Lassalle-Kaiser, Benedikt A1 - Sierra, Raymond G. A1 - Laksmono, Hartawan A1 - Hill, Ethan A1 - Borovik, Andrew S. A1 - Erko, Alexei A1 - Föhlisch, Alexander A1 - Mitzner, Rolf A1 - Yachandra, Vittal K. A1 - Yano, Junko A1 - Wernet, Philippe A1 - Bergmann, Uwe T1 - X-ray absorption spectroscopy using a self-seeded soft X-ray free-electron laser JF - Optics express : the international electronic journal of optics N2 - 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 Y1 - 2016 U6 - https://doi.org/10.1364/OE.24.022469 SN - 1094-4087 VL - 24 SP - 22469 EP - 22480 PB - Optical Society of America CY - Washington ER - TY - JOUR A1 - Mitzner, Rolf A1 - Rehanek, Jens A1 - Kern, Jan A1 - Gul, Sheraz A1 - Hattne, Johan A1 - Taguchi, Taketo A1 - Alonso-Mori, Roberto A1 - Tran, Rosalie A1 - Weniger, Christian A1 - Schröder, Henning A1 - Quevedo, Wilson A1 - Laksmono, Hartawan A1 - Sierra, Raymond G. A1 - Han, Guangye A1 - Lassalle-Kaiser, Benedikt A1 - Koroidov, Sergey A1 - Kubicek, Katharina A1 - Schreck, Simon A1 - Kunnus, Kristjan A1 - Brzhezinskaya, Maria A1 - Firsov, Alexander A1 - Minitti, Michael P. A1 - Turner, Joshua J. A1 - Möller, Stefan A1 - Sauter, Nicholas K. A1 - Bogan, Michael J. A1 - Nordlund, Dennis A1 - Schlotter, William F. A1 - Messinger, Johannes A1 - Borovik, Andrew S. A1 - Techert, Simone A1 - de Groot, Frank M. F. A1 - Föhlisch, Alexander A1 - Erko, Alexei A1 - Bergmann, Uwe A1 - Yachandra, Vittal K. A1 - Wernet, Philippe A1 - Yano, Junko T1 - L-edge x-ray absorption spectroscopy of dilute systems relevant to metalloproteins using an X-ray free-electron laser JF - The journal of physical chemistry letters N2 - L-edge spectroscopy of 3d transition metals provides important electronic structure information and has been used in many fields. However, the use of this method for studying dilute aqueous systems, such as metalloenzymes, has not been prevalent because of severe radiation damage and the lack of suitable detection systems. Here we present spectra from a dilute Mn aqueous solution using a high-transmission zone-plate spectrometer at the Linac Coherent Light Source (LCLS). The spectrometer has been optimized for discriminating the Mn L-edge signal from the overwhelming 0 K-edge background that arises from water and protein itself, and the ultrashort LCLS X-ray pulses can outrun X-ray induced damage. We show that the deviations of the partial-fluorescence yield-detected spectra from the true absorption can be well modeled using the state-dependence of the fluorescence yield, and discuss implications for the application of our concept to biological samples. Y1 - 2013 U6 - https://doi.org/10.1021/jz401837f SN - 1948-7185 VL - 4 IS - 21 SP - 3641 EP - 3647 PB - American Chemical Society CY - Washington ER - TY - JOUR A1 - Schreck, Simon A1 - Pietzsch, Annette A1 - Kennedy, Brian A1 - Sathe, Conny A1 - Miedema, Piter S. A1 - Techert, Simone A1 - Strocov, Vladimir N. A1 - Schmitt, Thorsten A1 - Hennies, Franz A1 - Rubensson, Jan-Erik A1 - Föhlisch, Alexander T1 - Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering JF - Scientific reports N2 - Thermally driven chemistry as well as materials’ functionality are determined by the potential energy surface of a systems electronic ground state. This makes the potential energy surface a central and powerful concept in physics, chemistry and materials science. However, direct experimental access to the potential energy surface locally around atomic centers and to its long-range structure are lacking. Here we demonstrate how sub-natural linewidth resonant inelastic soft x-ray scattering at vibrational resolution is utilized to determine ground state potential energy surfaces locally and detect long-range changes of the potentials that are driven by local modifications. We show how the general concept is applicable not only to small isolated molecules such as O2 but also to strongly interacting systems such as the hydrogen bond network in liquid water. The weak perturbation to the potential energy surface through hydrogen bonding is observed as a trend towards softening of the ground state potential around the coordinating atom. The instrumental developments in high resolution resonant inelastic soft x-ray scattering are currently accelerating and will enable broad application of the presented approach. With this multidimensional potential energy surfaces that characterize collective phenomena such as (bio)molecular function or high-temperature superconductivity will become accessible in near future. Y1 - 2016 U6 - https://doi.org/10.1038/srep20054 SN - 2045-2322 VL - 6 PB - Nature Publ. Group CY - London ER - TY - JOUR A1 - Zhong, Qi A1 - Wang, Weinan A1 - Adelsberger, Joseph A1 - Golosova, Anastasia A1 - Koumba, Achille M. Bivigou A1 - Laschewsky, André A1 - Funari, Sergio S. A1 - Perlich, Jan A1 - Roth, Stephan V. A1 - Papadakis, Christine M. A1 - Müller-Buschbaum, Peter T1 - Collapse transition in thin films of poly(methoxydiethylenglycol acrylate) JF - Colloid and polymer science : official journal of the Kolloid-Gesellschaft N2 - The thermal behavior of poly(methoxydiethylenglycol acrylate) (PMDEGA) is studied in thin hydrogel films on solid supports and is compared with the behavior in aqueous solution. The PMDEGA hydrogel film thickness is varied from 2 to 422 nm. Initially, these films are homogenous, as measured with optical microscopy, atomic force microscopy, X-ray reflectivity, and grazing-incidence small-angle X-ray scattering (GISAXS). However, they tend to de-wet when stored under ambient conditions. Along the surface normal, no long-ranged correlations between substrate and film surface are detected with GISAXS, due to the high mobility of the polymer at room temperature. The swelling of the hydrogel films as a function of the water vapor pressure and the temperature are probed for saturated water vapor pressures between 2,380 and 3,170 Pa. While the swelling capability is found to increase with water vapor pressure, swelling in dependence on the temperature revealed a collapse phase transition of a lower critical solution temperature type. The transition temperature decreases from 40.6 A degrees C to 36.6 A degrees C with increasing film thickness, but is independent of the thickness for very thin films below a thickness of 40 nm. The observed transition temperature range compares well with the cloud points observed in dilute (0.1 wt.%) and semi-dilute (5 wt.%) solution which decrease from 45 A degrees C to 39 A degrees C with increasing concentration. KW - Hydrogel KW - Thin film KW - Thermoresponsive KW - LCST behavior KW - GISAXS KW - AFM Y1 - 2011 U6 - https://doi.org/10.1007/s00396-011-2384-1 SN - 0303-402X VL - 289 IS - 5-6 SP - 569 EP - 581 PB - Springer CY - New York ER - TY - JOUR A1 - Vishnevetskaya, Natalya S. A1 - Hildebrand, Viet A1 - Niebuur, Bart-Jan A1 - Grillo, Isabelle A1 - Filippov, Sergey K. A1 - Laschewsky, Andre A1 - Müller-Buschbaum, Peter A1 - Papadakis, Christine M. T1 - Aggregation Behavior of Doubly Thermoresponsive Polysulfobetaine-b-poly(N-isopropylacrylamide) Diblock Copolymers JF - Macromolecules : a publication of the American Chemical Society N2 - A 2-fold thermoresponsive diblock copolymer PSPP430-b-PNIPAM(200) consisting of a zwitterionic polysulfobetaine (PSPP) block and a nonionic poly(N-isopropylacrylamide) (PNIPAM) block is prepared by successive RAFT polymerizations. In aqueous solution, the corresponding homopolymers PSPP and PNIPAM feature both upper and lower critical solution temperature (UCST and LCST) behavior, respectively. The diblock copolymer exhibits thermally induced "schizophrenic" aggregation behavior in aqueous solutions. Moreover, the ion sensitivity of the, cloud point of the zwitterionic PSPP block to both the ionic strength and the nature of the salt offers the possibility to create switchable systems which respond sensitively to changes of the temperature and of the electrolyte type and concentration. The diblock copolymer solutions in D2O are investigated by means of turbidimetry and small-angle neutron scattering (SANS) with respect to the phase behavior and the self-assembled structures in dependence on temperature and electrolyte content. Marked, differences of the aggregation below the UCST-type and above the LCST-type transition are observed. The addition of a small amount of NaBr (0.004 M) does not affect the overall behavior, and only the UCST-type transition and aggregate structures are slightly altered, reflecting the well-known ion sensitivity of the zwitterionic PSPP block. Y1 - 2016 U6 - https://doi.org/10.1021/acs.macromol.6b01186 SN - 0024-9297 SN - 1520-5835 VL - 49 SP - 6655 EP - 6668 PB - American Chemical Society CY - Washington ER - TY - JOUR A1 - Allroggen, Niklas A1 - Heincke, Bjorn H. A1 - Koyan, Philipp A1 - Wheeler, Walter A1 - Ronning, Jan S. T1 - 3D ground-penetrating radar attribute classification BT - a case study from a paleokarst breccia pipe in the Billefjorden area on Spitsbergen, Svalbard JF - Geophysics N2 - Ground-penetrating radar (GPR) is a method that can provide detailed information about the near subsurface in sedimentary and carbonate environments. The classical interpretation of GPR data (e.g., based on manual feature selection) often is labor-intensive and limited by the experience of the intercally used for seismic interpretation, can provide faster, more repeatable, and less biased interpretations. We have recorded a 3D GPD data set collected across a paleokarst breccia pipe in the Billefjorden area on Spitsbergen, Svalbard. After performing advanced processing, we compare the results of a classical GPR interpretation to the results of an attribute-based classification. Our attribute classification incorporates a selection of dip and textural attributes as the input for a k-means clustering approach. Similar to the results of the classical interpretation, the resulting classes differentiate between undisturbed strata and breccias or fault zones. The classes also reveal details inside the breccia pipe that are not discerned in the classical fer that the intrapipe GPR facies result from subtle differences, such as breccia lithology, clast size, or pore-space filling. Y1 - 2022 U6 - https://doi.org/10.1190/GEO2021-0651.1 SN - 0016-8033 SN - 1942-2156 VL - 87 IS - 4 SP - WB19 EP - WB30 PB - Society of Exploration Geophysicists CY - Tulsa ER - TY - JOUR A1 - Heinze, Mandy A1 - Hanschen, Franziska S. A1 - Wiesner-Reinhold, Melanie A1 - Baldermann, Susanne A1 - Gräfe, Jan A1 - Schreiner, Monika A1 - Neugart, Susanne T1 - Effects of Developmental Stages and Reduced UVB and Low UV Conditions on Plant Secondary Metabolite Profiles in Pak Choi (Brassica rapa subsp chinensis) JF - Journal of agricultural and food chemistry : a publication of the American Chemical Society N2 - Pak choi (Brassica rapa subsp. chinensis) is rich in secondary metabolites and contains numerous antioxidants, including flavonoids; hydroxycinnamic acids; carotenoids; chlorophylls; and glucosinolates, which can be hydrolyzed to epithionitriles, nitriles, or isothiocyanates. Here, we investigate the effect of reduced exposure to ultraviolet B (UVB) and UV (UVA and UVB) light at four different developmental stages of pak choi. We found that both the plant morphology and secondary metabolite profiles were affected by reduced exposure to UVB and UV, depending on the plant’s developmental stage. In detail, mature 15- and 30-leaf plants had higher concentrations of flavonoids, hydroxycinnamic acids, carotenoids, and chlorophylls, whereas sprouts contained high concentrations of glucosinolates and their hydrolysis products. Dry weights and leaf areas increased as a result of reduced UVB and low UV. For the flavonoids and hydroxycinnamic acids in 30-leaf plants, less complex compounds were favored, for example, sinapic acid acylated kaempferol triglycoside instead of the corresponding tetraglycoside. Moreover, also in 30-leaf plants, zeaxanthin, a carotenoid linked to protection during photosynthesis, was increased under low UV conditions. Interestingly, most glucosinolates were not affected by reduced UVB and low UV conditions. However, this study underlines the importance of 4-(methylsulfinyl)butyl glucosinolate in response to UVA and UVB exposure. Further, reduced UVB and low UV conditions resulted in higher concentrations of glucosinolate-derived nitriles. In conclusion, exposure to low doses of UVB and UV from the early to late developmental stages did not result in overall lower concentrations of plant secondary metabolites. KW - flavonoids KW - hydroxycinnamic acids KW - carotenoids KW - glucosinolates KW - nitriles KW - UVB reduction Y1 - 2018 U6 - https://doi.org/10.1021/acs.jafc.7b03996 SN - 0021-8561 SN - 1520-5118 VL - 66 IS - 7 SP - 1678 EP - 1692 PB - American Chemical Society CY - Washington ER - TY - GEN A1 - Kumar, Rohini A1 - Hesse, Fabienne A1 - Rao, P. Srinivasa A1 - Musolff, Andreas A1 - Jawitz, James A1 - Sarrazin, Francois A1 - Samaniego, Luis A1 - Fleckenstein, Jan H. A1 - Rakovec, Oldrich A1 - Thober, S. A1 - Attinger, Sabine T1 - Strong hydroclimatic controls on vulnerability to subsurface nitrate contamination across Europe T2 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - Subsurface contamination due to excessive nutrient surpluses is a persistent and widespread problem in agricultural areas across Europe. The vulnerability of a particular location to pollution from reactive solutes, such as nitrate, is determined by the interplay between hydrologic transport and biogeochemical transformations. Current studies on the controls of subsurface vulnerability do not consider the transient behaviour of transport dynamics in the root zone. Here, using state-of-the-art hydrologic simulations driven by observed hydroclimatic forcing, we demonstrate the strong spatiotemporal heterogeneity of hydrologic transport dynamics and reveal that these dynamics are primarily controlled by the hydroclimatic gradient of the aridity index across Europe. Contrasting the space-time dynamics of transport times with reactive timescales of denitrification in soil indicate that similar to 75% of the cultivated areas across Europe are potentially vulnerable to nitrate leaching for at least onethird of the year. We find that neglecting the transient nature of transport and reaction timescale results in a great underestimation of the extent of vulnerable regions by almost 50%. Therefore, future vulnerability and risk assessment studies must account for the transient behaviour of transport and biogeochemical transformation processes. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1352 KW - travel time distributions KW - groundwater vulnerability KW - flux tracking KW - transit-time KW - water age KW - nitrogen KW - model KW - dynamics KW - pollution KW - patterns Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-549875 SN - 1866-8372 IS - 1 ER - TY - JOUR A1 - Vishnevetskaya, Natalya S. A1 - Hildebrand, Viet A1 - Niebuur, Bart-Jan A1 - Grillo, Isabelle A1 - Filippov, Sergey K. A1 - Laschewsky, Andre A1 - Müller-Buschbaum, Peter A1 - Papadakis, Christine M. T1 - "Schizophrenic" Micelles from Doubly Thermoresponsive Polysulfobetaine-b-poly(N-isopropylmethacrylamide) Diblock Copolymers JF - Macromolecules : a publication of the American Chemical Society Y1 - 2017 U6 - https://doi.org/10.1021/acs.macromol.7b00356 SN - 0024-9297 SN - 1520-5835 VL - 50 SP - 3985 EP - 3999 PB - American Chemical Society CY - Washington ER -