SwePub - search: WFRF:(Seibert M M)

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1.	Schael, S, et al. (author) Precision electroweak measurements on the Z resonance 2006 In: Physics Reports. - : Elsevier BV. - 0370-1573 .- 1873-6270. ; 427:5-6, s. 257-454 Research review (peer-reviewed)abstract We report on the final electroweak measurements performed with data taken at the Z resonance by the experiments operating at the electron-positron colliders SLC and LEP. The data consist of 17 million Z decays accumulated by the ALEPH, DELPHI, L3 and OPAL experiments at LEP, and 600 thousand Z decays by the SLID experiment using a polarised beam at SLC. The measurements include cross-sections, forward-backward asymmetries and polarised asymmetries. The mass and width of the Z boson, m(Z) and Gamma(Z), and its couplings to fermions, for example the p parameter and the effective electroweak mixing angle for leptons, are precisely measured: m(Z) = 91.1875 +/- 0.0021 GeV, Gamma(Z) = 2.4952 +/- 0.0023 GeV, rho(l) = 1.0050 +/- 0.0010, sin(2)theta(eff)(lept) = 0.23153 +/- 0.00016. The number of light neutrino species is determined to be 2.9840 +/- 0.0082, in agreement with the three observed generations of fundamental fermions. The results are compared to the predictions of the Standard Model (SM). At the Z-pole, electroweak radiative corrections beyond the running of the QED and QCD coupling constants are observed with a significance of five standard deviations, and in agreement with the Standard Model. Of the many Z-pole measurements, the forward-backward asymmetry in b-quark production shows the largest difference with respect to its SM expectation, at the level of 2.8 standard deviations. Through radiative corrections evaluated in the framework of the Standard Model, the Z-pole data are also used to predict the mass of the top quark, m(t) = 173(+10)(+13) GeV, and the mass of the W boson, m(W) = 80.363 +/- 0.032 GeV. These indirect constraints are compared to the direct measurements, providing a stringent test of the SM. Using in addition the direct measurements of m(t) and m(W), the mass of the as yet unobserved SM Higgs boson is predicted with a relative uncertainty of about 50% and found to be less than 285 GeV at 95% confidence level. (c) 2006 Elsevier B.V. All rights reserved.
2.	Abreu, P., et al. (author) Measurement of the gluon fragmentation function and a comparison of the scaling violation in gluon and quark jets 2000 In: European Physical Journal C. - : Springer Science and Business Media LLC. - 1434-6044 .- 1434-6052. ; 13:4, s. 573-589 Journal article (peer-reviewed)abstract The fragmentation functions of quarks and gluons are measured in various three-jet topologies in Z decays from the full data set collected with the DELPHI detector at the Z resonance between 1992 and 995. The results at different values of transverse momentum-like scales are compared. A parameterization of the quark and gluon fragmentation functions at a fixed reference scale is given. The quark and gluon fragmentation functions show the predicted pattern of scaling violations. The scaling violation for quark jets as a function of a transverse momentum-like scale is in a good agreement with that observed in lower energy e+e- annihilation experiments. For gluon jets it appears to be significantly stronger. The scale dependences of the gluon and quark fragmentation functions agree with the prediction of the DGLAP evolution equations from which the colour factor ratio CA/CF is measured to be: CA/CF = 2.26 ± 0.09stat. ± 0.06sys. ± 0.12clus.,scale..
3.	Abreu, P., et al. (author) Study of dimuon production in photon-photon collisions and measurement of QED photon structure functions at LEP 2001 In: European Physical Journal C. - : Springer Science and Business Media LLC. - 1434-6044 .- 1434-6052. ; 19:1, s. 15-28 Journal article (peer-reviewed)abstract Muon pair production in the process e+e- → e+e- μ+μ- is studied using the data taken at LEP1 (√s ≃ mz) with the DELPHI detector during the years 1992-1995. The corresponding integrated luminosity is 138.5 pb-1. The QED predictions have been tested over the whole Q2 range accessible at LEP1 (from several GeV2/c4 to several hundred GeV2/c4) by comparing experimental distributions with distributions resulting from Monte Carlo simulations using various generators. Selected events are used to extract the leptonic photon structure function Fγ 2. Azimuthal correlations are used to obtain information on additional structure functions, Fγ A and Fγ B, which originate from interference terms of the scattering amplitudes. The measured ratios Fγ A/Fγ 2 and FγB/Fγ 2 are significantly different from zero and consistent with QED predictions.
4.	Boutet, S., et al. (author) High-Resolution Protein Structure Determination by Serial Femtosecond Crystallography 2012 In: Science. - : American Association for the Advancement of Science (AAAS). - 0036-8075 .- 1095-9203. ; 337:6092, s. 362-364 Journal article (peer-reviewed)abstract Structure determination of proteins and other macromolecules has historically required the growth of high-quality crystals sufficiently large to diffract x-rays efficiently while withstanding radiation damage. We applied serial femtosecond crystallography (SFX) using an x-ray free-electron laser (XFEL) to obtain high-resolution structural information from microcrystals (less than 1 micrometer by 1 micrometer by 3 micrometers) of the well-characterized model protein lysozyme. The agreement with synchrotron data demonstrates the immediate relevance of SFX for analyzing the structure of the large group of difficult-to-crystallize molecules.
5.	Arnlund, David, et al. (author) Visualizing a protein quake with time-resolved X-ray scattering at a free-electron laser 2014 In: Nature Methods. - : Springer Science and Business Media LLC. - 1548-7091 .- 1548-7105. ; 11:9, s. 923-926 Journal article (peer-reviewed)abstract We describe a method to measure ultrafast protein structural changes using time-resolved wide-angle X-ray scattering at an X-ray free-electron laser. We demonstrated this approach using multiphoton excitation of the Blastochloris viridis photosynthetic reaction center, observing an ultrafast global conformational change that arises within picoseconds and precedes the propagation of heat through the protein. This provides direct structural evidence for a 'protein quake': the hypothesis that proteins rapidly dissipate energy through quake-like structural motions.
6.	Barty, A., et al. (author) Self-terminating diffraction gates femtosecond X-ray nanocrystallography measurements 2012 In: Nature Photonics. - 1749-4885 .- 1749-4893. ; 6:1, s. 35-40 Journal article (peer-reviewed)abstract X-ray free-electron lasers have enabled new approaches to the structural determination of protein crystals that are too small or radiation-sensitive for conventional analysis1. For sufficiently short pulses, diffraction is collected before significant changes occur to the sample, and it has been predicted that pulses as short as 10 fs may be required to acquire atomic-resolution structural information1, 2, 3, 4. Here, we describe a mechanism unique to ultrafast, ultra-intense X-ray experiments that allows structural information to be collected from crystalline samples using high radiation doses without the requirement for the pulse to terminate before the onset of sample damage. Instead, the diffracted X-rays are gated by a rapid loss of crystalline periodicity, producing apparent pulse lengths significantly shorter than the duration of the incident pulse. The shortest apparent pulse lengths occur at the highest resolution, and our measurements indicate that current X-ray free-electron laser technology5 should enable structural determination from submicrometre protein crystals with atomic resolution.
7.	Fuchs, M.a b, et al. (author) Nonlinear X-ray compton scattering 2014 Conference paper (other academic/artistic)abstract We use XFEL pulses to observe the most fundamental nonlinear X-ray-matter interaction: nonlinear Compton scattering. In contrast to theoretical predictions, we measure an anonymous and yet to be explained red-shift in the observed photon energy.
8.	Sellberg, Jonas A., et al. (author) Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature 2014 In: Nature. - : Springer Science and Business Media LLC. - 0028-0836 .- 1476-4687. ; 510:7505, s. 381- Journal article (peer-reviewed)abstract Water has a number of anomalous physical properties, and some of these become drastically enhanced on supercooling below the freezing point. Particular interest has focused on thermodynamic response functions that can be described using a normal component and an anomalous component that seems to diverge at about 228 kelvin (refs 1-3). This has prompted debate about conflicting theories(4-12) that aim to explain many of the anomalous thermodynamic properties of water. One popular theory attributes the divergence to a phase transition between two forms of liquid water occurring in the 'no man's land' that lies below the homogeneous ice nucleation temperature (T-H) at approximately 232 kelvin(13) and above about 160 kelvin(14), and where rapid ice crystallization has prevented any measurements of the bulk liquid phase. In fact, the reliable determination of the structure of liquid water typically requires temperatures above about 250 kelvin(2,15). Water crystallization has been inhibited by using nanoconfinement(16), nanodroplets(17) and association with biomolecules(16) to give liquid samples at temperatures below T-H, but such measurements rely on nanoscopic volumes of water where the interaction with the confining surfaces makes the relevance to bulk water unclear(18). Here we demonstrate that femtosecond X-ray laser pulses can be used to probe the structure of liquid water in micrometre-sized droplets that have been evaporatively cooled(19-21) below TH. We find experimental evidence for the existence of metastable bulk liquid water down to temperatures of 227(-1)(+2) kelvin in the previously largely unexplored no man's land. We observe a continuous and accelerating increase in structural ordering on supercooling to approximately 229 kelvin, where the number of droplets containing ice crystals increases rapidly. But a few droplets remain liquid for about a millisecond even at this temperature. The hope now is that these observations and our detailed structural data will help identify those theories that best describe and explain the behaviour of water.
9.	Chapman, Henry N, et al. (author) Femtosecond X-ray protein nanocrystallography. 2011 In: Nature. - : Springer Science and Business Media LLC. - 1476-4687 .- 0028-0836. ; 470:7332, s. 73-7 Journal article (peer-reviewed)abstract X-ray crystallography provides the vast majority of macromolecular structures, but the success of the method relies on growing crystals of sufficient size. In conventional measurements, the necessary increase in X-ray dose to record data from crystals that are too small leads to extensive damage before a diffraction signal can be recorded. It is particularly challenging to obtain large, well-diffracting crystals of membrane proteins, for which fewer than 300 unique structures have been determined despite their importance in all living cells. Here we present a method for structure determination where single-crystal X-ray diffraction 'snapshots' are collected from a fully hydrated stream of nanocrystals using femtosecond pulses from a hard-X-ray free-electron laser, the Linac Coherent Light Source. We prove this concept with nanocrystals of photosystem I, one of the largest membrane protein complexes. More than 3,000,000 diffraction patterns were collected in this study, and a three-dimensional data set was assembled from individual photosystem I nanocrystals (∼200nm to 2μm in size). We mitigate the problem of radiation damage in crystallography by using pulses briefer than the timescale of most damage processes. This offers a new approach to structure determination of macromolecules that do not yield crystals of sufficient size for studies using conventional radiation sources or are particularly sensitive to radiation damage.
10.	Huynh-Le, MP, et al. (author) Polygenic hazard score is associated with prostate cancer in multi-ethnic populations 2021 In: Nature communications. - : Springer Science and Business Media LLC. - 2041-1723. ; 12:1, s. 1236- Journal article (peer-reviewed)abstract Genetic models for cancer have been evaluated using almost exclusively European data, which could exacerbate health disparities. A polygenic hazard score (PHS1) is associated with age at prostate cancer diagnosis and improves screening accuracy in Europeans. Here, we evaluate performance of PHS2 (PHS1, adapted for OncoArray) in a multi-ethnic dataset of 80,491 men (49,916 cases, 30,575 controls). PHS2 is associated with age at diagnosis of any and aggressive (Gleason score ≥ 7, stage T3-T4, PSA ≥ 10 ng/mL, or nodal/distant metastasis) cancer and prostate-cancer-specific death. Associations with cancer are significant within European (n = 71,856), Asian (n = 2,382), and African (n = 6,253) genetic ancestries (p < 10−180). Comparing the 80th/20th PHS2 percentiles, hazard ratios for prostate cancer, aggressive cancer, and prostate-cancer-specific death are 5.32, 5.88, and 5.68, respectively. Within European, Asian, and African ancestries, hazard ratios for prostate cancer are: 5.54, 4.49, and 2.54, respectively. PHS2 risk-stratifies men for any, aggressive, and fatal prostate cancer in a multi-ethnic dataset.
11.	McCarrick, Heather, et al. (author) The Simons Observatory Microwave SQUID Multiplexing Detector Module Design 2021 In: Astrophysical Journal. - : American Astronomical Society. - 0004-637X .- 1538-4357. ; 922:1 Journal article (peer-reviewed)abstract Advances in cosmic microwave background (CMB) science depend on increasing the number of sensitive detectors observing the sky. New instruments deploy large arrays of superconducting transition-edge sensor (TES) bolometers tiled densely into ever larger focal planes. High multiplexing factors reduce the thermal loading on the cryogenic receivers and simplify their design. We present the design of focal-plane modules with an order of magnitude higher multiplexing factor than has previously been achieved with TES bolometers. We focus on the novel cold readout component, which employs microwave SQUID multiplexing (μmux). Simons Observatory will use 49 modules containing 70,000 bolometers to make exquisitely sensitive measurements of the CMB. We validate the focal-plane module design, presenting measurements of the readout component with and without a prototype detector array of 1728 polarization-sensitive bolometers coupled to feedhorns. The readout component achieves a 95% yield and a 910 multiplexing factor. The median white noise of each readout channel is 65 pA √Hz . This impacts the projected SO mapping speed by <8%, which is less than is assumed in the sensitivity projections. The results validate the full functionality of the module. We discuss the measured performance in the context of SO science requirements, which are exceeded.
12.	Ade, Peter, et al. (author) The Simons Observatory : science goals and forecasts 2019 In: Journal of Cosmology and Astroparticle Physics. - : IOP Publishing. - 1475-7516. ; :2 Journal article (peer-reviewed)abstract The Simons Observatory (SO) is a new cosmic microwave background experiment being built on Cerro Toco in Chile, due to begin observations in the early 2020s. We describe the scientific goals of the experiment, motivate the design, and forecast its performance. SO will measure the temperature and polarization anisotropy of the cosmic microwave background in six frequency bands centered at: 27, 39, 93, 145, 225 and 280 GHz. The initial con figuration of SO will have three small-aperture 0.5-m telescopes and one large-aperture 6-m telescope, with a total of 60,000 cryogenic bolometers. Our key science goals are to characterize the primordial perturbations, measure the number of relativistic species and the mass of neutrinos, test for deviations from a cosmological constant, improve our understanding of galaxy evolution, and constrain the duration of reionization. The small aperture telescopes will target the largest angular scales observable from Chile, mapping approximate to 10% of the sky to a white noise level of 2 mu K-arcmin in combined 93 and 145 GHz bands, to measure the primordial tensor-to-scalar ratio, r, at a target level of sigma(r) = 0.003. The large aperture telescope will map approximate to 40% of the sky at arcminute angular resolution to an expected white noise level of 6 mu K-arcmin in combined 93 and 145 GHz bands, overlapping with the majority of the Large Synoptic Survey Telescope sky region and partially with the Dark Energy Spectroscopic Instrument. With up to an order of magnitude lower polarization noise than maps from the Planck satellite, the high-resolution sky maps will constrain cosmological parameters derived from the damping tail, gravitational lensing of the microwave background, the primordial bispectrum, and the thermal and kinematic Sunyaev-Zel'dovich effects, and will aid in delensing the large-angle polarization signal to measure the tensor-to-scalar ratio. The survey will also provide a legacy catalog of 16,000 galaxy clusters and more than 20,000 extragalactic sources.
13.	Alonso-Mori, Roberto, et al. (author) Energy-dispersive X-ray emission spectroscopy using an X-ray free-electron laser in a shot-by-shot mode 2012 In: Proceedings of the National Academy of Sciences of the United States of America. - : Proceedings of the National Academy of Sciences. - 0027-8424 .- 1091-6490. ; 109:47, s. 19103-19107 Journal article (peer-reviewed)abstract The ultrabright femtosecond X-ray pulses provided by X-ray free-electron lasers open capabilities for studying the structure and dynamics of a wide variety of systems beyond what is possible with synchrotron sources. Recently, this probe-before-destroy approach has been demonstrated for atomic structure determination by serial X-ray diffraction of microcrystals. There has been the question whether a similar approach can be extended to probe the local electronic structure by X-ray spectroscopy. To address this, we have carried out femtosecond X-ray emission spectroscopy (XES) at the Linac Coherent Light Source using redox-active Mn complexes. XES probes the charge and spin states as well as the ligand environment, critical for understanding the functional role of redox-active metal sites. K beta(1,3) XES spectra of Mn-II and Mn-2(III,IV) complexes at room temperature were collected using a wavelength dispersive spectrometer and femtosecond X-ray pulses with an individual dose of up to > 100 MGy. The spectra were found in agreement with undamaged spectra collected at low dose using synchrotron radiation. Our results demonstrate that the intact electronic structure of redox active transition metal compounds in different oxidation states can be characterized with this shot-by-shot method. This opens the door for studying the chemical dynamics of metal catalytic sites by following reactions under functional conditions. The technique can be combined with X-ray diffraction to simultaneously obtain the geometric structure of the overall protein and the local chemistry of active metal sites and is expected to prove valuable for understanding the mechanism of important metalloproteins, such as photosystem II.
14.	Aquila, Andrew, et al. (author) Time-resolved protein nanocrystallography using an X-ray free-electron laser 2012 In: Optics Express. - 1094-4087. ; 20:3, s. 2706-2716 Journal article (peer-reviewed)abstract We demonstrate the use of an X-ray free electron laser synchronized with an optical pump laser to obtain X-ray diffraction snapshots from the photoactivated states of large membrane protein complexes in the form of nanocrystals flowing in a liquid jet. Light-induced changes of Photosystem I-Ferredoxin co-crystals were observed at time delays of 5 to 10 µs after excitation. The result correlates with the microsecond kinetics of electron transfer from Photosystem I to ferredoxin. The undocking process that follows the electron transfer leads to large rearrangements in the crystals that will terminally lead to the disintegration of the crystals. We describe the experimental setup and obtain the first time-resolved femtosecond serial X-ray crystallography results from an irreversible photo-chemical reaction at the Linac Coherent Light Source. This technique opens the door to time-resolved structural studies of reaction dynamics in biological systems.
15.	Bogan, M. J., et al. (author) Single-shot femtosecond x-ray diffraction from randomly oriented ellipsoidal nanoparticles 2010 In: Physical Review Special Topics - Accelerators and Beams. - 1098-4402. ; 13:9, s. 094701- Journal article (peer-reviewed)abstract Coherent diffractive imaging of single particles using the single-shot "diffract and destroy" approach with an x-ray free electron laser (FEL) was recently demonstrated. A high-resolution low-noise coherent diffraction pattern, representative of the object before it turns into a plasma and explodes, results from the interaction of the FEL with the particle. Iterative phase retrieval algorithms are used to reconstruct two-dimensional projection images of the object from the recorded intensities alone. Here we describe the first single-shot diffraction data set that mimics the data proposed for obtaining 3D structure from identical particles. Ellipsoidal iron oxide nanoparticles (250 nm x 50 nm) were aerosolized and injected through an aerodynamic lens stack into a soft x-ray FEL. Particle orientation was not controlled with this injection method. We observed that, at the instant the x-ray pulse interacts with the particle, a snapshot of the particle's orientation is encoded in the diffraction pattern. The results give credence to one of the technical concepts of imaging individual nanometer and subnanometer-sized objects such as single molecules or larger clusters of molecules using hard x-ray FELs and will be used to help develop robust algorithms for determining particle orientations and 3D structure.
16.	Chapman, H N, et al. (author) Coherent imaging at FLASH 2009 In: Journal of Physics, Conference Series. - : IOP Publishing. - 1742-6588 .- 1742-6596. ; 186:1, s. 012051- Journal article (peer-reviewed)abstract We have carried out high-resolution single-pulse coherent diffractive imaging at the FLASH free-electron laser. The intense focused FEL pulse gives a high-resolution low-noise coherent diffraction pattern of an object before that object turns into a plasma and explodes. In particular we are developing imaging of biological specimens beyond conventional radiation damage resolution limits, developing imaging of ultrafast processes, and testing methods to characterize and perform single-particle imaging.
17.	Dunn, S. M., et al. (author) Conceptualization in catchment modelling : simply learning? 2008 In: Hydrological Processes. ; 22:13, s. 2389-2393 Journal article (peer-reviewed)
18.	Iwan, Bianca S, et al. (author) TOF-OFF : A method for determining focal positions in tightly focused free-electron laser experiments by measurement of ejected ions 2011 In: High Energy Density Physics. - : Elsevier BV. - 1574-1818. ; 7:4, s. 336-342 Journal article (peer-reviewed)abstract Pulse intensities greater than 1017 Watt/cm2 were reached at the FLASH soft X-ray laser in Hamburg, Germany, using an off-axis parabolic mirror to focus 15 fs pulses of 5–70 μJ energy at 13.5 nm wavelength to a micron-sized spot. We describe the interaction of such pulses with niobium and vanadium targets and their deuterides. The beam produced craters in the solid targets, and we measured the kinetic energy of ions ejected from these craters. Ions with several keV kinetic energy were observed from craters approaching 5 μm in depth when the sample was at best focus. We also observed the onset of saturation in both ion acceleration and ablation with pulse intensities exceeding 1016 W/cm2, when the highest detected ion energies and the crater depths tend to saturate with increasing intensity. A general difficulty in working with micron and sub-micron focusing optics is finding the exact focus of the beam inside a vacuum chamber. Here we propose a direct method to measure the focal position to a resolution better than the Rayleigh length. The method is based on the correlation between the energies of ejected ions and the physical dimensions of the craters. We find that the focus position can be quickly determined from the ion time-of-flight (TOF) data as the target is scanned through the expected focal region. The method does not require external access to the sample or venting the vacuum chamber. Profile fitting employed to analyze the TOF data can extend resolution beyond the actual scanning step size.
19.	Johansson, Linda C, 1983, et al. (author) Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography. 2013 In: Nature communications. - : Springer Science and Business Media LLC. - 2041-1723. ; 4 Journal article (peer-reviewed)abstract Serial femtosecond crystallography is an X-ray free-electron-laser-based method with considerable potential to have an impact on challenging problems in structural biology. Here we present X-ray diffraction data recorded from microcrystals of the Blastochloris viridis photosynthetic reaction centre to 2.8Å resolution and determine its serial femtosecond crystallography structure to 3.5Å resolution. Although every microcrystal is exposed to a dose of 33MGy, no signs of X-ray-induced radiation damage are visible in this integral membrane protein structure.
20.	Karunamuni, RA, et al. (author) Additional SNPs improve risk stratification of a polygenic hazard score for prostate cancer 2021 In: Prostate cancer and prostatic diseases. - : Springer Science and Business Media LLC. - 1476-5608 .- 1365-7852. ; 24:2, s. 532-541 Journal article (peer-reviewed)
21.	Kern, Jan, et al. (author) Room temperature femtosecond X-ray diffraction of photosystem II microcrystals 2012 In: Proceedings of the National Academy of Sciences of the United States of America. - : Proceedings of the National Academy of Sciences. - 0027-8424 .- 1091-6490. ; 109:25, s. 9721-9726 Journal article (peer-reviewed)abstract Most of the dioxygen on earth is generated by the oxidation of water by photosystem II (PS II) using light from the sun. This lightdriven, four-photon reaction is catalyzed by the Mn4CaO5 cluster located at the lumenal side of PS II. Various X-ray studies have been carried out at cryogenic temperatures to understand the intermediate steps involved in the water oxidation mechanism. However, the necessity for collecting data at room temperature, especially for studying the transient steps during the O-O bond formation, requires the development of new methodologies. In this paper we report room temperature X-ray diffraction data of PS II microcrystals obtained using ultrashort (<50 fs) 9 keV X-ray pulses from a hard X-ray free electron laser, namely the Linac Coherent Light Source. The results presented here demonstrate that the probe before destroy approach using an X-ray free electron laser works even for the highly-sensitive Mn4CaO5 cluster in PS II at room temperature. We show that these data are comparable to those obtained in synchrotron radiation studies as seen by the similarities in the overall structure of the helices, the protein subunits and the location of the various cofactors. This work is, therefore, an important step toward future studies for resolving the structure of the Mn4CaO5 cluster without any damage at room temperature, and of the reaction intermediates of PS II during O-O bond formation.
22.	Kern, Jan, et al. (author) Simultaneous Femtosecond X-ray Spectroscopy and Diffraction of Photosystem II at Room Temperature 2013 In: Science. - : American Association for the Advancement of Science (AAAS). - 0036-8075 .- 1095-9203. ; 340:6131, s. 491-495 Journal article (peer-reviewed)abstract Intense femtosecond x-ray pulses produced at the Linac Coherent Light Source (LCLS) were used for simultaneous x-ray diffraction (XRD) and x-ray emission spectroscopy (XES) of microcrystals of photosystem II (PS II) at room temperature. This method probes the overall protein structure and the electronic structure of the Mn4CaO5 cluster in the oxygen-evolving complex of PS II. XRD data are presented from both the dark state (S-1) and the first illuminated state (S-2) of PS II. Our simultaneous XRD-XES study shows that the PS II crystals are intact during our measurements at the LCLS, not only with respect to the structure of PS II, but also with regard to the electronic structure of the highly radiation-sensitive Mn4CaO5 cluster, opening new directions for future dynamics studies.
23.	Loh, N. D., et al. (author) Cryptotomography : Reconstructing 3D Fourier Intensities from Randomly Oriented Single-Shot Diffraction Patterns 2010 In: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 104:22, s. 225501-1-225501-5 Journal article (peer-reviewed)abstract We reconstructed the 3D Fourier intensity distribution of monodisperse prolate nanoparticles using single-shot 2D coherent diffraction patterns collected at DESY's FLASH facility when a bright, coherent, ultrafast x-ray pulse intercepted individual particles of random, unmeasured orientations. This first experimental demonstration of cryptotomography extended the expansion-maximization-compression framework to accommodate unmeasured fluctuations in photon fluence and loss of data due to saturation or background scatter. This work is an important step towards realizing single-shot diffraction imaging of single biomolecules.
24.	Lomb, Lukas, et al. (author) Radiation damage in protein serial femtosecond crystallography using an x-ray free-electron laser 2011 In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 84:21, s. 214111-1-214111-6 Journal article (peer-reviewed)abstract X-ray free-electron lasers deliver intense femtosecond pulses that promise to yield high resolution diffraction data of nanocrystals before the destruction of the sample by radiation damage. Diffraction intensities of lysozyme nanocrystals collected at the Linac Coherent Light Source using 2 keV photons were used for structure determination by molecular replacement and analyzed for radiation damage as a function of pulse length and fluence. Signatures of radiation damage are observed for pulses as short as 70 fs. Parametric scaling used in conventional crystallography does not account for the observed effects.
25.	Rothe, J., et al. (author) The INE-Beamline for actinide science at ANKA 2012 In: Review of Scientific Instruments. - : AIP Publishing. - 0034-6748 .- 1089-7623. ; 83:4, s. 043105- Journal article (peer-reviewed)abstract Since its inauguration in 2005, the INE-Beamline for actinide research at the synchrotron source ANKA (KIT North Campus) provides dedicated instrumentation for x-ray spectroscopic characterization of actinide samples and other radioactive materials. R&D work at the beamline focuses on various aspects of nuclear waste disposal within INE's mission to provide the scientific basis for assessing long-term safety of a final nuclear waste repository. The INE-Beamline is accessible for the actinide and radiochemistry community through the ANKA proposal system and the European Union Integrated Infrastructure Initiative ACTINET-I3. Experiments with activities up to 1 x 10(+6) times the European exemption limit are feasible within a safe but flexible containment concept. Measurements with monochromatic radiation are performed at photon energies varying between similar to 2.1 keV (P K-edge) and similar to 25 keV (Pd K-edge), including the lanthanide L-edges and the actinide M-and L3-edges up to Cf. The close proximity of the INE-Beamline to INE controlled area labs offers infrastructure unique in Europe for the spectroscopic and microscopic characterization of actinide samples. The modular beamline design enables sufficient flexibility to adapt sample environments and detection systems to many scientific questions. The well-established bulk techniques x-ray absorption fine structure (XAFS) spectroscopy in transmission and fluorescence mode have been augmented by advanced methods using a microfocused beam, including (confocal) XAFS/x-ray fluorescence detection and a combination of (micro-)XAFS and (micro-)x-ray diffraction. Additional instrumentation for high energy-resolution x-ray emission spectroscopy has been successfully developed and tested.
26.	Seibert, TM, et al. (author) Polygenic hazard score to guide screening for aggressive prostate cancer: development and validation in large scale cohorts 2018 In: BMJ (Clinical research ed.). - : BMJ. - 1756-1833 .- 0959-8138. ; 360, s. j5757- Journal article (peer-reviewed)
27.	Sellberg, Jonas Alexander, 1985-, et al. (author) Experimental Observation of Bulk Liquid Water Structure in “No-man’s Land” Other publication (other academic/artistic)
28.	Sierra, Raymond G., et al. (author) Nanoflow electrospinning serial femtosecond crystallography 2012 In: Acta Crystallographica Section D. - : Wiley-Blackwell. - 0907-4449 .- 1399-0047. ; 68, s. 1584-1587 Journal article (peer-reviewed)abstract An electrospun liquid microjet has been developed that delivers protein microcrystal suspensions at flow rates of 0.14-3.1 mu l min(-1) to perform serial femtosecond crystallography (SFX) studies with X-ray lasers. Thermolysin microcrystals flowed at 0.17 mu l min(-1) and diffracted to beyond 4 angstrom resolution, producing 14 000 indexable diffraction patterns, or four per second, from 140 mu g of protein. Nanoflow electrospinning extends SFX to biological samples that necessitate minimal sample consumption.
29.	Staudinger, M., et al. (author) Comparison of hydrological model structures based on recession and low flow simulations 2011 In: Hydrol. Earth Syst. Sci.. - : Copernicus Publications. ; 15:11, s. 3447-3459 Journal article (peer-reviewed)
30.	Staudinger, M., et al. (author) Comparison of hydrological model structures based on recession and low flow simulations 2011 In: Hydrology and Earth System Sciences. - : Copernicus Publications. - 1027-5606 .- 1607-7938. ; 15:11, s. 3447-3459 Journal article (peer-reviewed)abstract Low flows are often poorly reproduced by commonly used hydrological models, which are traditionally designed to meet peak flow situations. Hence, there is a need to improve hydrological models for low flow prediction. This study assessed the impact of model structure on low flow simulations and recession behaviour using the Framework for Understanding Structural Errors (FUSE). FUSE identifies the set of subjective decisions made when building a hydrological model and provides multiple options for each modeling decision. Altogether 79 models were created and applied to simulate stream flows in the snow dominated headwater catchment Narsjø in Norway (119 km2). All models were calibrated using an automatic optimisation method. The results showed that simulations of summer low flows were poorer than simulations of winter low flows, reflecting the importance of different hydrological processes. The model structure influencing winter low flow simulations is the lower layer architecture, whereas various model structures were identified to influence model performance during summer.
31.	Thomas, H., et al. (author) Explosions of Xenon Clusters in Ultraintense Femtosecond X-Ray Pulses from the LCLS Free Electron Laser 2012 In: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 108:13 Journal article (peer-reviewed)abstract Explosions of large Xe clusters (< N > similar to 11 000) irradiated by femtosecond pulses of 850 eV x-ray photons focused to an intensity of up to 1017 W/cm(2) from the Linac Coherent Light Source were investigated experimentally. Measurements of ion charge-state distributions and energy spectra exhibit strong evidence for the formation of a Xe nanoplasma in the intense x-ray pulse. This x-ray produced Xe nanoplasma is accompanied by a three-body recombination and hydrodynamic expansion. These experimental results appear to be consistent with a model in which a spherically exploding nanoplasma is formed inside the Xe cluster and where the plasma temperature is determined by photoionization heating.
32.	Timneanu, Nicusor, et al. (author) Fragmentation of clusters and recombination induced by intense and ultrashort X-ray laser pulses 2013 In: Damage To Vuv, Euv, And X-Ray Optics Iv; And Euv And X-Ray Optics. - : SPIE - International Society for Optical Engineering. Conference paper (peer-reviewed)abstract Understanding the ultrafast dynamics of matter under extreme conditions is relevant for structural studies and plasma physics with X-ray lasers. We used the pulses from free-electron lasers (FLASH in Hamburg and LCLS in Stanford) to trigger X-ray induced explosions in atomic atoms (Xe) and molecular clusters (CH4 and CD4). The explosion dynamics depends on cluster size and the intensity of the X-ray pulse, and a transition from Coulomb explosion to hydrodynamic expansion is expected with increasing size and increasing pulse intensity. In methane clusters experiments at FLASH, the time-of-flight spectrometry shows the appearance of molecular adducts which are the result of molecular recombination between ions and molecules. The recombination depends on the cluster size and the expansion mechanism and becomes significant in larger clusters. In Xenon cluster experiments at the LCLS, measurements of the ion charge states in clusters suggest a formation of Xe nanoplasma which expands hydrodynamically. The dominance of low charge states of Xe is due to three-body recombination processes involving electron and Xe ions, and it depends on the X-ray intensity and nanoplasma formation.
33.	van Meerveld, H. J., et al. (author) Runoff Generation in a Pre-Alpine Catchment : A Discussion Between a Tracer and a Shallow Groundwater Hydrologist 2018 In: CUADERNOS DE INVESTIGACION GEOGRAFICA. - : UNIV RIOJA, SERV PUBLICACIONES. - 0211-6820 .- 1697-9540. ; 44:2, s. 429-452 Journal article (peer-reviewed)abstract Runoff generation mechanisms vary between catchments and despite decades of research in many catchments, these mechanisms are still not fully understood. In this paper, runoff generation mechanisms in the steep pre-alpine catchments in the Alptal, Switzerland, are discussed. These fast responding catchments are characterized by low permeability soils on top of flysch bedrock. In combination with the high and frequent precipitation, this results in predominantly wet conditions. In many areas, the water table is close to the surface. We review the main results of recent (2009-2016) studies in these catchments that used isotope, stream chemistry and hydrometric data. These field studies focused on the spatial and temporal patterns in groundwater levels, spatial patterns in the isotopic composition and chemistry of streamflow during baseflow conditions, as well as the responses of streamflow and its isotopic composition during rainfall events. The combined results of these studies highlight the establishment of connectivity of areas with different topographic positions and areas with a different land use during rainfall events. They also show the importance of flow in higher conductivity near surface soil layers for runoff generation, as well as the frequent occurrence of surface runoff. Spatial differences in groundwater dynamics are related to topography. Streamflow responses are mainly affected by the rainfall characteristics; differences in streamflow and hydrochemistry between catchments with different portions of forest, meadows and wetlands, were relatively small. However, variations in the chemistry of baseflow along stream reaches within a catchment were considerable. Above all, these studies highlight the value of combining data on spatial patterns of groundwater levels and stream chemistry with long term data on streamflow to derive a more complete picture of the dominant runoff generation mechanisms.
34.	Wiedorn, Max O., et al. (author) Megahertz serial crystallography 2018 In: Nature Communications. - : Nature Publishing Group. - 2041-1723. ; 9 Journal article (peer-reviewed)abstract The new European X-ray Free-Electron Laser is the first X-ray free-electron laser capable of delivering X-ray pulses with a megahertz inter-pulse spacing, more than four orders of magnitude higher than previously possible. However, to date, it has been unclear whether it would indeed be possible to measure high-quality diffraction data at megahertz pulse repetition rates. Here, we show that high-quality structures can indeed be obtained using currently available operating conditions at the European XFEL. We present two complete data sets, one from the well-known model system lysozyme and the other from a so far unknown complex of a beta-lactamase from K. pneumoniae involved in antibiotic resistance. This result opens up megahertz serial femtosecond crystallography (SFX) as a tool for reliable structure determination, substrate screening and the efficient measurement of the evolution and dynamics of molecular structures using megahertz repetition rate pulses available at this new class of X-ray laser source.
35.	Andreasson, Jakob, et al. (author) Saturated ablation in metal hydrides and acceleration of protons and deuterons to keV energies with a soft-x-ray laser 2011 In: Physical Review E. Statistical, Nonlinear, and Soft Matter Physics. - 1539-3755 .- 1550-2376. ; 83:1, s. 016403- Journal article (peer-reviewed)abstract Studies of materials under extreme conditions have relevance to a broad area of research, including planetary physics, fusion research, materials science, and structural biology with x-ray lasers. We study such extreme conditions and experimentally probe the interaction between ultrashort soft x-ray pulses and solid targets (metals and their deuterides) at the FLASH free-electron laser where power densities exceeding 1017 W/cm2 were reached. Time-of-flight ion spectrometry and crater analysis were used to characterize the interaction. The results show the onset of saturation in the ablation process at power densities above 1016 W/cm2. This effect can be linked to a transiently induced x-ray transparency in the solid by the femtosecond x-ray pulse at high power densities. The measured kinetic energies of protons and deuterons ejected from the surface reach several keV and concur with predictions from plasma-expansion models. Simulations of the interactions were performed with a nonlocal thermodynamic equilibrium code with radiation transfer. These calculations return critical depths similar to the observed crater depths and capture the transient surface transparency at higher power densities.
36.	Blösch, Günter, et al. (author) Twenty-three unsolved problems in hydrology (UPH) - a community perspective 2019 In: Hydrological Sciences Journal. - : Informa UK Limited. - 0262-6667 .- 2150-3435. ; 64:10, s. 1141-1158 Journal article (peer-reviewed)abstract This paper is the outcome of a community initiative to identify major unsolved scientific problems in hydrology motivated by a need for stronger harmonisation of research efforts. The procedure involved a public consultation through online media, followed by two workshops through which a large number of potential science questions were collated, prioritised, and synthesised. In spite of the diversity of the participants (230 scientists in total), the process revealed much about community priorities and the state of our science: a preference for continuity in research questions rather than radical departures or redirections from past and current work. Questions remain focused on the process-based understanding of hydrological variability and causality at all space and time scales. Increased attention to environmental change drives a new emphasis on understanding how change propagates across interfaces within the hydrological system and across disciplinary boundaries. In particular, the expansion of the human footprint raises a new set of questions related to human interactions with nature and water cycle feedbacks in the context of complex water management problems. We hope that this reflection and synthesis of the 23 unsolved problems in hydrology will help guide research efforts for some years to come.
37.	Bublitz, M, et al. (author) Structural studies of P-type ATPase-ligand complexes using an X-ray free-electron laser 2015 In: IUCrJ. - 2052-2525. ; 2:Pt 4, s. 409-420 Journal article (peer-reviewed)
38.	Frank, Matthias, et al. (author) Femtosecond X-ray diffraction from two-dimensional protein crystals 2014 In: IUCrJ. - 2052-2525. ; 1:2, s. 95-100 Journal article (peer-reviewed)abstract X-ray diffraction patterns from two-dimensional (2-D) protein crystals obtained using femtosecond X-ray pulses from an X-ray free-electron laser (XFEL) are presented. To date, it has not been possible to acquire transmission X-ray diffraction patterns from individual 2-D protein crystals due to radiation damage. However, the intense and ultrafast pulses generated by an XFEL permit a new method of collecting diffraction data before the sample is destroyed. Utilizing a diffract-before-destroy approach at the Linac Coherent Light Source, Bragg diffraction was acquired to better than 8.5 Å resolution for two different 2-D protein crystal samples each less than 10 nm thick and maintained at room temperature. These proof-of-principle results show promise for structural analysis of both soluble and membrane proteins arranged as 2-D crystals without requiring cryogenic conditions or the formation of three-dimensional crystals.
39.	Halldin, S, et al. (author) Continuous long-term measurements of soil-plant-atmosphere variables at an agricultural site 1999 In: AGRICULTURAL AND FOREST METEOROLOGY. - : ELSEVIER SCIENCE BV. - 0168-1923. ; 98-9, s. 75-102 Journal article (peer-reviewed)abstract It is a major challenge in modem science to decrease the uncertainty in predictions of global climate change. One of the largest uncertainties in present-day global climate models resides with the understanding of processes in the soil-vegetation-atmosphe
40.	Huynh-Le, MP, et al. (author) A Genetic Risk Score to Personalize Prostate Cancer Screening, Applied to Population Data 2020 In: Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology. - 1538-7755. ; 29:9, s. 1731-1738 Journal article (peer-reviewed)
41.	Karunamuni, RA, et al. (author) The effect of sample size on polygenic hazard models for prostate cancer 2020 In: European journal of human genetics : EJHG. - : Springer Science and Business Media LLC. - 1476-5438 .- 1018-4813. ; 28:910, s. 1467-1475 Journal article (peer-reviewed)
42.	Laksmono, Hartawan, et al. (author) Anomalous Behavior of the Homogeneous Ice Nucleation Rate in No-Man's Land 2015 In: The Journal of Physical Chemistry Letters. - : American Chemical Society (ACS). - 1948-7185. ; 6:14, s. 2826-2832 Journal article (peer-reviewed)abstract We present an analysis of ice nucleation kinetics from near-ambient pressure water as temperature decreases below the homogeneous limit T-H by cooling micrometer-sized droplets (microdroplets) evaporatively at 10(3)-10(4) K/s and probing the structure ultrafast using femtosecond pulses from the Linac Coherent Light Source (LCLS) free-electron X-ray laser. Below 232 K, we observed a slower nucleation rate increase with decreasing temperature than anticipated from previous measurements, which we suggest is due to the rapid decrease in water's diffusivity. This is consistent with earlier findings that microdroplets do not crystallize at <227 K, but vitrify at cooling rates of 10(6)-10(7) K/s. We also hypothesize that the slower increase in the nucleation rate is connected with the proposed fragile-to-strong transition anomaly in water.
43.	Lee, Ho-Hsien, et al. (author) Expression, purification and crystallization of CTB-MPR, a candidate mucosal vaccine component against HIV-1 2014 In: IUCrJ. - 2052-2525. ; 1:5, s. 305-317 Journal article (peer-reviewed)abstract CTB-MPR is a fusion protein between the B subunit of cholera toxin (CTB) andthe membrane-proximal region of gp41 (MPR), the transmembrane envelopeprotein ofHuman immunodeficiency virus 1(HIV-1), and has previously beenshown to induce the production of anti-HIV-1 antibodies with antiviralfunctions. To further improve the design of this candidate vaccine, X-raycrystallography experiments were performed to obtain structural informationabout this fusion protein. Several variants of CTB-MPR were designed,constructed and recombinantly expressed inEscherichia coli. The first variantcontained a flexible GPGP linker between CTB and MPR, and yielded crystalsthat diffracted to a resolution of 2.3 A ̊, but only the CTB region was detectedin the electron-density map. A second variant, in which the CTB was directlyattached to MPR, was shown to destabilize pentamer formation. A thirdconstruct containing a polyalanine linker between CTB and MPR proved tostabilize the pentameric form of the protein during purification. The purificationprocedure was shown to produce a homogeneously pure and monodispersesample for crystallization. Initial crystallization experiments led to pseudo-crystals which were ordered in only two dimensions and were disordered inthe third dimension. Nanocrystals obtained using the same precipitant showedpromising X-ray diffraction to 5 A ̊resolution in femtosecond nanocrystallo-graphy experiments at the Linac Coherent Light Source at the SLAC NationalAccelerator Laboratory. The results demonstrate the utility of femtosecondX-ray crystallography to enable structural analysis based on nano/microcrystalsof a protein for which no macroscopic crystals ordered in three dimensions havebeen observed before.
44.	Lundberg, Angela (author) Rainfall-interception dynamics in a pine-spruce forest stand : agricultural and forest meteorology 1999 Other publication (other academic/artistic)
45.	Lundin, Lars-Christer, et al. (author) Continuous long-term measurements of soil-plant-atmosphere variables at a forest site 1999 In: Agricultural and Forest Meteorology. - 0168-1923 .- 1873-2240. ; 98-99, s. 53-73 Journal article (peer-reviewed)abstract It is a major challenge in modem science to decrease the uncertainty in predictions of global climate change. One of the largest uncertainties in present-day global climate models resides with the understanding of processes in the soil-vegetation-atmosphere-transfer (SVAT) system. Continuous, long-term data are needed in order to correctly quantify balances of water, energy and CO2 in this system and to correctly model it. It is the objective of this paper to demonstrate how a combined system of existing sensor, computer, and network technologies could be set up to provide continuous and reliable long-term SVAT-process data from a forested site under almost all environmental conditions. The Central Tower Site (CTS) system was set up in 1993-1994 in a 25 m high boreal forest growing on a highly heterogeneous till soil with a high content of stones and blocks. It has successfully monitored relevant states and fluxes in the system, such as atmospheric fluxes of momentum, heat, water vapour and CO2, atmospheric profiles of temperature, water vapour, CO2, short-and long-wave radiation, heat storage in soil and trees, sap-dow and a variety of ecophysiological properties, soil-water contents and tensions, and groundwater levels, rainfall and throughfall. System uptime has been more than 90% for most of its components during the first 5 years of operation. Results from the first 5 years of operation include e.g., budgets for energy, water and CO2, information on important but rarely occurring events such as evaporation from snow-covered canopies, and reactions of the forest to extreme drought. The carbon budget shows that the forest may be a sink of carbon although it is still growing. The completeness of the data has made it possible to test the internal consistency of SVAT models. The pioneering set-up at the CTS has been adopted by a large number of SVAT-monitoring sites around the world. Questions concerning tower maintenance, long-term calibration plans, maintenance of sensors and data-collection system, and continuous development of the computer network to keep it up to date are, however, only partly of interest as a research project in itself. It is thus difficult to get it funded from usual research-funding agencies. The full value of data generated by the CTS system can best be appreciated after a decade or more of continuous operation. Main uses of the data would be to evaluate how SVAT models handle the natural variability of climate conditions, quantification of water. carbon and energy budgets during various weather conditions, rind development of new parameterisation schemes in global and regional climate models.
46.	McDonnell, J.J., et al. (author) How old is streamwater? : Open questions in catchment transit time conceptualization, modelling and analysis 2010 In: Hydrological Processes. - : John Wiley & Sons. - 0885-6087 .- 1099-1085. ; 24:12, s. 1745-1754 Journal article (peer-reviewed)abstract The time water spends travelling subsurface through a catchment to the stream network (i.e. the catchment water transit time) fundamentally describes the storage, flow pathway heterogeneity and sources of water in a catchment. The distribution of transit times reflects how catchments retain and release water and solutes that in turn set biogeochemical conditions and affect contamination release or persistence. Thus, quan- tifying the transit time distribution provides an important constraint on biogeochemical processes and catchment sensitivity to anthropogenic inputs, contamination and land-use change. Although the assumptions and limitations of past and present transit time modelling approaches have been recently reviewed (McGuire and McDonnell, 2006), there remain many fundamental research challenges for understanding how transit time can be used to quantify catchment flow processes and aid in the development and testing of rainfall–runoff models. In this Commen- tary study, we summarize what we think are the open research questions in transit time research. These thoughts come from a 3-day workshop in January 2009 at the International Atomic Energy Agency in Vienna. We attempt to lay out a roadmap for this work for the hydrological commu- nity over the next 10 years. We do this by first defining what we mean (qualitatively and quantitatively) by transit time and then organize our vision around needs in transit time theory, needs in field studies of tran- sit time and needs in rainfall – runoff modelling. Our goal in presenting this material is to encourage widespread use of transit time information in process studies to provide new insights to catchment function and to inform the structural development and testing of hydrologic models.
47.	McDonnell, J. J., et al. (author) How old is streamwater? Open questions in catchment transit time conceptualization, modelling and analysis 2010 In: Hydrological Processes. - 0885-6087 .- 1099-1085. ; 24:12, s. 1745-1754 Journal article (peer-reviewed)
48.	Milathianaki, D., et al. (author) Femtosecond Visualization of Lattice Dynamics in Shock-Compressed Matter 2013 In: Science. - : American Association for the Advancement of Science (AAAS). - 0036-8075 .- 1095-9203. ; 342:6155, s. 220-223 Journal article (peer-reviewed)abstract The ultrafast evolution of microstructure is key to understanding high-pressure and strain-rate phenomena. However, the visualization of lattice dynamics at scales commensurate with those of atomistic simulations has been challenging. Here, we report femtosecond x-ray diffraction measurements unveiling the response of copper to laser shock-compression at peak normal elastic stresses of similar to 73 gigapascals (GPa) and strain rates of 10(9) per second. We capture the evolution of the lattice from a one-dimensional (1D) elastic to a 3D plastically relaxed state within a few tens of picoseconds, after reaching shear stresses of 18 GPa. Our in situ high-precision measurement of material strength at spatial (<1 micrometer) and temporal (<50 picoseconds) scales provides a direct comparison with multimillion-atom molecular dynamics simulations.
49.	Redecke, Lars, et al. (author) Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser. 2013 In: Science (New York, N.Y.). - : American Association for the Advancement of Science (AAAS). - 1095-9203 .- 0036-8075. ; 339:6116, s. 227-30 Journal article (peer-reviewed)abstract The Trypanosoma brucei cysteine protease cathepsin B (TbCatB), which is involved in host protein degradation, is a promising target to develop new treatments against sleeping sickness, a fatal disease caused by this protozoan parasite. The structure of the mature, active form of TbCatB has so far not provided sufficient information for the design of a safe and specific drug against T. brucei. By combining two recent innovations, in vivo crystallization and serial femtosecond crystallography, we obtained the room-temperature 2.1 angstrom resolution structure of the fully glycosylated precursor complex of TbCatB. The structure reveals the mechanism of native TbCatB inhibition and demonstrates that new biomolecular information can be obtained by the "diffraction-before-destruction" approach of x-ray free-electron lasers from hundreds of thousands of individual microcrystals.
50.	Ryan, Rebecca A., et al. (author) Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene 2017 In: Journal of Visualized Experiments. - : MyJove Corporation. - 1940-087X. ; :126 Journal article (peer-reviewed)abstract The precise details of the interaction of intense X-ray pulses with matter are a topic of intense interest to researchers attempting to interpret the results of femtosecond X-ray free electron laser (XFEL) experiments. An increasing number of experimental observations have shown that although nuclear motion can be negligible, given a short enough incident pulse duration, electronic motion cannot be ignored. The current and widely accepted models assume that although electrons undergo dynamics driven by interaction with the pulse, their motion could largely be considered 'random'. This would then allow the supposedly incoherent contribution from the electronic motion to be treated as a continuous background signal and thus ignored. The original aim of our experiment was to precisely measure the change in intensity of individual Bragg peaks, due to X-ray induced electronic damage in a model system, crystalline C-60. Contrary to this expectation, we observed that at the highest X-ray intensities, the electron dynamics in C-60 were in fact highly correlated, and over sufficiently long distances that the positions of the Bragg reflections are significantly altered. This paper describes in detail the methods and protocols used for these experiments, which were conducted both at the Linac Coherent Light Source (LCLS) and the Australian Synchrotron (AS) as well as the crystallographic approaches used to analyse the data.

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