Showing papers by "Paul Scherrer Institute published in 2013"

Molecular signatures of G-protein-coupled receptors.

Abstract: G-protein-coupled receptors (GPCRs) are physiologically important membrane proteins that sense signalling molecules such as hormones and neurotransmitters, and are the targets of several prescribed drugs. Recent exciting developments are providing unprecedented insights into the structure and function of several medically important GPCRs. Here, through a systematic analysis of high-resolution GPCR structures, we uncover a conserved network of non-covalent contacts that defines the GPCR fold. Furthermore, our comparative analysis reveals characteristic features of ligand binding and conformational changes during receptor activation. A holistic understanding that integrates molecular and systems biology of GPCRs holds promise for new therapeutics and personalized medicine.

Recommendations for reporting "black carbon" measurements

Abstract: . Although black carbon (BC) is one of the key atmospheric particulate components driving climate change and air quality, there is no agreement on the terminology that considers all aspects of specific properties, definitions, measurement methods, and related uncertainties. As a result, there is much ambiguity in the scientific literature of measurements and numerical models that refer to BC with different names and based on different properties of the particles, with no clear definition of the terms. The authors present here a recommended terminology to clarify the terms used for BC in atmospheric research, with the goal of establishing unambiguous links between terms, targeted material properties and associated measurement techniques.

Handbook of LHC Higgs Cross Sections: 3. Higgs Properties

Abstract: This Report summarizes the results of the activities in 2012 and the first half of 2013 of the LHC Higgs Cross Section Working Group. The main goal of the working group was to present the state of the art of Higgs Physics at the LHC, integrating all new results that have appeared in the last few years. This report follows the first working group report Handbook of LHC Higgs Cross Sections: 1. Inclusive Observables (CERN-2011-002) and the second working group report Handbook of LHC Higgs Cross Sections: 2. Differential Distributions (CERN-2012-002). After the discovery of a Higgs boson at the LHC in mid-2012 this report focuses on refined prediction of Standard Model (SM) Higgs phenomenology around the experimentally observed value of 125-126 GeV, refined predictions for heavy SM-like Higgs bosons as well as predictions in the Minimal Supersymmetric Standard Model and first steps to go beyond these models. The other main focus is on the extraction of the characteristics and properties of the newly discovered particle such as couplings to SM particles, spin and CP-quantum numbers etc.

Molecular understanding of sulphuric acid-amine particle nucleation in the atmosphere

Abstract: Nucleation of aerosol particles from trace atmospheric vapours is thought to provide up to half of global cloud condensation nuclei(1). Aerosols can cause a net cooling of climate by scattering sun ...

Proton Structure from the Measurement of 2S-2P Transition Frequencies of Muonic Hydrogen

Abstract: Accurate knowledge of the charge and Zemach radii of the proton is essential, not only for understanding its structure but also as input for tests of bound-state quantum electrodynamics and its predictions for the energy levels of hydrogen. These radii may be extracted from the laser spectroscopy of muonic hydrogen (μp, that is, a proton orbited by a muon). We measured the 2 S 1 / 2 F = 0 - 2 P 3 / 2 F = 1 transition frequency in μp to be 54611.16(1.05) gigahertz (numbers in parentheses indicate one standard deviation of uncertainty) and reevaluated the 2 S 1 / 2 F = 1 - 2 P 3 / 2 F = 2 transition frequency, yielding 49881.35(65) gigahertz. From the measurements, we determined the Zemach radius, rZ = 1.082(37) femtometers, and the magnetic radius, rM = 0.87(6) femtometer, of the proton. We also extracted the charge radius, rE = 0.84087(39) femtometer, with an order of magnitude more precision than the 2010-CODATA value and at 7σ variance with respect to it, thus reinforcing the proton radius puzzle.

Structural and functional characterization of two alpha-synuclein strains

Abstract: α-Synuclein aggregation is implicated in a variety of diseases including Parkinson's disease, dementia with Lewy bodies, pure autonomic failure and multiple system atrophy. The association of protein aggregates made of a single protein with a variety of clinical phenotypes has been explained for prion diseases by the existence of different strains that propagate through the infection pathway. Here we structurally and functionally characterize two polymorphs of α-synuclein. We present evidence that the two forms indeed fulfil the molecular criteria to be identified as two strains of α-synuclein. Specifically, we show that the two strains have different structures, levels of toxicity, and in vitro and in vivo seeding and propagation properties. Such strain differences may account for differences in disease progression in different individuals/cell types and/or types of synucleinopathies.

Observation of a new boson with mass near 125 GeV in pp collisions at $ \sqrt{s}=7 $ and 8 TeV

Abstract: A detailed description is reported of the analysis used by the CMS Collaboration in the search for the standard model Higgs boson in pp collisions at the LHC, which led to the observation of a new boson. The data sample corresponds to integrated luminosities up to 5.1 inverse femtobarns at sqrt(s) = 7 TeV, and up to 5.3 inverse femtobarns at sqrt(s) = 8 TeV. The results for five Higgs boson decay modes gamma gamma, ZZ, WW, tau tau, and bb, which show a combined local significance of 5 standard deviations near 125 GeV, are reviewed. A fit to the invariant mass of the two high resolution channels, gamma gamma and ZZ to 4 ell, gives a mass estimate of 125.3 +/- 0.4 (stat) +/- 0.5 (syst) GeV. The measurements are interpreted in the context of the standard model Lagrangian for the scalar Higgs field interacting with fermions and vector bosons. The measured values of the corresponding couplings are compared to the standard model predictions. The hypothesis of custodial symmetry is tested through the measurement of the ratio of the couplings to the W and Z bosons. All the results are consistent, within their uncertainties, with the expectations for a standard model Higgs boson.

New Constraint on the Existence of the μ + → e + γ Decay

Abstract: The analysis of a combined data set, totaling $3.6\ifmmode\times\else\texttimes\fi{}{10}^{14}$ stopped muons on target, in the search for the lepton flavor violating decay ${\ensuremath{\mu}}^{+}\ensuremath{\rightarrow}{e}^{+}\ensuremath{\gamma}$ is presented. The data collected by the MEG experiment at the Paul Scherrer Institut show no excess of events compared to background expectations and yield a new upper limit on the branching ratio of this decay of $5.7\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}13}$ (90% confidence level). This represents a four times more stringent limit than the previous world best limit set by MEG.

Visualization and quantification of electrochemical and mechanical degradation in Li ion batteries.

Abstract: High–energy-density materials that undergo conversion and/or alloying reactions hold promise for next-generation lithium (Li) ion batteries. However, these materials experience substantial volume change during electrochemical operation, which causes mechanical fracture of the material and structural disintegration of the electrode, leading to capacity loss. In this work, we use x-ray tomography during battery operation to visualize and quantify the origins and evolution of electrochemical and mechanical degradation. Tomography provides the time-resolved, three-dimensional chemical composition and morphology within individual particles and throughout the electrode. In the model material tin(II) oxide, we witness distributions in onset and rate of core-shell lithiation, crack initiation and growth along preexisting defects, and irreversible distortion of the electrode, highlighting tomography as a tool to guide the development of durable materials and strain-tolerant electrodes.

Eemian interglacial reconstructed from a Greenland folded ice core

Abstract: Efforts to extract a Greenland ice core with a complete record of the Eemian interglacial (130,000 to 115,000 years ago) have until now been unsuccessful. The response of the Greenland ice sheet to the warmer-than-present climate of the Eemian has thus remained unclear. Here we present the new North Greenland Eemian Ice Drilling ('NEEM') ice core and show only a modest ice-sheet response to the strong warming in the early Eemian. We reconstructed the Eemian record from folded ice using globally homogeneous parameters known from dated Greenland and Antarctic ice-core records. On the basis of water stable isotopes, NEEM surface temperatures after the onset of the Eemian (126,000 years ago) peaked at 8 +/- 4 degrees Celsius above the mean of the past millennium, followed by a gradual cooling that was probably driven by the decreasing summer insolation. Between 128,000 and 122,000 years ago, the thickness of the northwest Greenland ice sheet decreased by 400 +/- 250 metres, reaching surface elevations 122,000 years ago of 130 +/- 300 metres lower than the present. Extensive surface melt occurred at the NEEM site during the Eemian, a phenomenon witnessed when melt layers formed again at NEEM during the exceptional heat of July 2012. With additional warming, surface melt might become more common in the future.

Real-time 3D imaging of Haines jumps in porous media flow

Abstract: Newly developed high-speed, synchrotron-based X-ray computed microtomography enabled us to directly image pore-scale displacement events in porous rock in real time. Common approaches to modeling macroscopic fluid behavior are phenomenological, have many shortcomings, and lack consistent links to elementary pore-scale displacement processes, such as Haines jumps and snap-off. Unlike the common singular pore jump paradigm based on observations of restricted artificial capillaries, we found that Haines jumps typically cascade through 10–20 geometrically defined pores per event, accounting for 64% of the energy dissipation. Real-time imaging provided a more detailed fundamental understanding of the elementary processes in porous media, such as hysteresis, snap-off, and nonwetting phase entrapment, and it opens the way for a rigorous process for upscaling based on thermodynamic models.

Reconstructing state mixtures from diffraction measurements

Abstract: Progress in imaging and metrology depends on exquisite control over and comprehensive characterization of wave fields. As reflected in its name, coherent diffractive imaging relies on high coherence when reconstructing highly resolved images from diffraction intensities alone without the need for image-forming lenses. Fully coherent light can be described adequately by a single pure state. Yet partial coherence and imperfect detection often need to be accounted for, requiring statistical optics or the superposition of states. Furthermore, the dynamics of samples are increasingly the very objectives of experiments. Here we provide a general analytic approach to the characterization of diffractive imaging systems that can be described as low-rank mixed states. We use experimental data and simulations to show how the reconstruction technique compensates for and characterizes various sources of decoherence quantitatively. Based on ptychography, the procedure is closely related to quantum state tomography and is equally applicable to high-resolution microscopy, wave sensing and fluctuation measurements. As a result, some of the most stringent experimental conditions in ptychography can be relaxed, and susceptibility to imaging artefacts is reduced. Furthermore, the method yields high-resolution images of mixed states within the sample, which may include quantum mixtures or fast stationary stochastic processes such as vibrations, switching or steady flows.

In vivo proton range verification: a review

Abstract: Protons are an interesting modality for radiotherapy because of their well defined range and favourable depth dose characteristics. On the other hand, these same characteristics lead to added uncertainties in their delivery. This is particularly the case at the distal end of proton dose distributions, where the dose gradient can be extremely steep. In practice however, this gradient is rarely used to spare critical normal tissues due to such worries about its exact position in the patient. Reasons for this uncertainty are inaccuracies and non-uniqueness of the calibration from CT Hounsfield units to proton stopping powers, imaging artefacts (e.g. due to metal implants) and anatomical changes of the patient during treatment. In order to improve the precision of proton therapy therefore, it would be extremely desirable to verify proton range in vivo, either prior to, during, or after therapy. In this review, we describe and compare state-of-the art in vivo proton range verification methods currently being proposed, developed or clinically implemented.

Molecular Mechanism of Action of Microtubule-Stabilizing Anticancer Agents.

Abstract: Microtubule-stabilizing agents (MSAs) are efficacious chemotherapeutic drugs widely used for the treatment of cancer. Despite the importance of MSAs for medical applications and basic research, their molecular mechanisms of action on tubulin and microtubules remain elusive. We determined high-resolution crystal structures of αβ-tubulin in complex with two unrelated MSAs, zampanolide and epothilone A. Both compounds were bound to the taxane pocket of β-tubulin and used their respective side chains to induce structuring of the M-loop into a short helix. Because the M-loop establishes lateral tubulin contacts in microtubules, these findings explain how taxane-site MSAs promote microtubule assembly and stability. Further, our results offer fundamental structural insights into the control mechanisms of microtubule dynamics.

Analysis of enhanced light emission from highly strained germanium microbridges

Abstract: Highly strained germanium on silicon samples with up to 3.1% uniaxial strain are fabricated and then investigated by Raman spectroscopy. During optical pumping, changes in both the emission wavelength and output power are observed, indicating that bandgap modification and optical gain are occurring.

Effective Lagrangian for a light Higgs-like scalar

Abstract: We reconsider the effective Lagrangian that describes a light Higgs-like boson and better clarify a few issues which were not exhaustively addressed in the previous literature. In particular we highlight the strategy to determine whether the dynamics responsible for the electroweak symmetry breaking is weakly or strongly interacting. We also discuss how the effective Lagrangian can be implemented into automatic tools for the calculation of Higgs decay rates and production cross sections.

SoFi, an IGOR-based interface for the efficient use of the generalized multilinear engine (ME-2) for the source apportionment: ME-2 application to aerosol mass spectrometer data

Abstract: . Source apportionment using the bilinear model through a multilinear engine (ME-2) was successfully applied to non-refractory organic aerosol (OA) mass spectra collected during the winter of 2011 and 2012 in Zurich, Switzerland using the aerosol chemical speciation monitor (ACSM). Five factors were identified: low-volatility oxygenated OA (LV-OOA), semivolatile oxygenated OA (SV-OOA), hydrocarbon-like OA (HOA), cooking OA (COA) and biomass burning OA (BBOA). A graphical user interface SoFi (Source Finder) was developed at PSI in order to facilitate the testing of different rotational techniques available within the ME-2 engine by providing a priori factor profiles for some or all of the expected factors. ME-2 was used to test the positive matrix factorization (PMF) model, the fully constrained chemical mass balance (CMB) model, and partially constrained models utilizing a values and pulling equations. Within the set of model solutions determined to be environmentally reasonable, BBOA and SV-OOA factor mass spectra and time series showed the greatest variability. This variability represents the uncertainty in the model solution and indicates that analysis of model rotations provides a useful approach for assessing the uncertainty of bilinear source apportionment models.

The measurement of the Higgs self-coupling at the LHC: theoretical status

Abstract: Now that the Higgs boson has been observed by the ATLAS and CMS experiments at the LHC, the next important step would be to measure accurately its properties to establish the details of the electroweak symmetry breaking mechanism. Among the measurements which need to be performed, the determination of the Higgs self-coupling in processes where the Higgs boson is produced in pairs is of utmost importance. In this paper, we discuss the various processes which allow for the measurement of the trilinear Higgs coupling: double Higgs production in gluon fusion, vector boson fusion, double Higgs-strahlung and associated production with a top quark pair. We first evaluate the production cross sections for these processes at the LHC with center-of-mass energies ranging from the present $ \sqrt{s}=8 $ TeV to $ \sqrt{s}=100 $ TeV, and discuss their sensitivity to the trilinear Higgs coupling. We include the various higher order QCD radiative corrections, at next-to-leading order for gluon and vector boson fusion and at next-to-next-to-leading order for associated double Higgs production with a gauge boson. The theoretical uncertainties on these cross sections are estimated. Finally, we discuss the various channels which could allow for the detection of the double Higgs production signal at the LHC and estimate their potential to probe the trilinear Higgs coupling.

Two-stage seeded soft-X-ray free-electron laser

Abstract: A seeded free-electron laser with a two-stage harmonic upshift configuration provided tunable and coherent soft-X-ray pulses. The configuration produced single-transverse-mode, narrow-spectral-bandwidth femtosecond pulses with energies of several tens of microjoules and a low pulse-to-pulse wavelength jitter at wavelengths of 10.8 nm and below.

Study of the Mass and Spin-Parity of the Higgs Boson Candidate via Its Decays to Z Boson Pairs

Abstract: A study is presented of the mass and spin-parity of the new boson recently observed at the LHC at a mass near 125 GeV. An integrated luminosity of 17.3 fb^(-1), collected by the CMS experiment in proton-proton collisions at center-of-mass energies of 7 and 8 TeV, is used. The measured mass in the ZZ channel, where both Z bosons decay to e or μ pairs, is 126.2±0.6(stat)±0.2(syst) GeV. The angular distributions of the lepton pairs in this channel are sensitive to the spin-parity of the boson. Under the assumption of spin 0, the present data are consistent with the pure scalar hypothesis, while disfavoring the pure pseudoscalar hypothesis.

Wintertime aerosol chemical composition and source apportionment of the organic fraction in the metropolitan area of Paris

Abstract: The effect of a post-industrial megacity on local and regional air quality was assessed via a month-long field measurement campaign in the Paris metropolitan area during winter 2010. Here we present source apportionment results from three aerosol mass spectrometers and two aethalometers deployed at three measurement stations within the Paris region. Submicron aerosol composition is dominated by the organic fraction (30-36%) and nitrate (28-29%), with lower contributions from sulfate (14-16%), ammonium (12-14%) and black carbon (7-13%). Organic source apportionment was performed using positive matrix factorization, resulting in a set of organic factors corresponding both to primary emission sources and secondary production. The dominant primary sources are traffic (11-15% of organic mass), biomass burning (13-15%) and cooking (up to 35% during meal hours). Secondary organic aerosol contributes more than 50% to the total organic mass and includes a highly oxidized factor from indeterminate and/or diverse sources and a less oxidized factor related to wood burning emissions. Black carbon was apportioned to traffic and wood burning sources using a model based on wavelength-dependent light absorption of these two combustion sources. The time series of organic and black carbon factors from related sources were strongly correlated. The similarities in aerosol composition, total mass and temporal variation between the three sites suggest that particulate pollution in Paris is dominated by regional factors, and that the emissions from Paris itself have a relatively low impact on its surroundings.

Measurement of the Bs0→μ+μ- branching fraction and search for B0→μ+μ- with the CMS experiment

Abstract: Results are presented from a search for the rare decays B0s→μ+μ− and B0→μ+μ− in pp collisions at s√=7 and 8 TeV, with data samples corresponding to integrated luminosities of 5 and 20 fb−1, respectively, collected by the CMS experiment at the LHC. An unbinned maximum-likelihood fit to the dimuon invariant mass distribution gives a branching fraction B(B0s→μ+μ−)=(3.0+1.0−0.9)×10−9, where the uncertainty includes both statistical and systematic contributions. An excess of B0s→μ+μ− events with respect to background is observed with a significance of 4.3 standard deviations. For the decay B0→μ+μ− an upper limit of B(B0→μ+μ−)<1.1×10−9 at the 95% confidence level is determined. Both results are in agreement with the expectations from the standard model.

Search for top-squark pair production in the single-lepton final state in pp collisions at √s=8 TeV

Abstract: This paper presents a search for the pair production of top squarks in events with a single isolated electron or muon, jets, large missing transverse momentum, and large transverse mass. The data sample corresponds to an integrated luminosity of 19.5 inverse femtobarns of pp collisions collected in 2012 by the CMS experiment at the LHC at a center-of-mass energy of sqrt(s) = 8 TeV. No significant excess in data is observed above the expectation from standard model processes. The results are interpreted in the context of supersymmetric models with pair production of top squarks that decay either to a top quark and a neutralino or to a bottom quark and a chargino. For small mass values of the lightest supersymmetric particle, top-squark mass values up to around 650 GeV are excluded.

Molecular understanding of atmospheric particle formation from sulfuric acid and large oxidized organic molecules

Abstract: Atmospheric aerosols formed by nucleation of vapors affect radiative forcing and therefore climate. However, the underlying mechanisms of nucleation remain unclear, particularly the involvement of organic compounds. Here, we present high-resolution mass spectra of ion clusters observed during new particle formation experiments performed at the Cosmics Leaving Outdoor Droplets chamber at the European Organization for Nuclear Research. The experiments involved sulfuric acid vapor and different stabilizing species, including ammonia and dimethylamine, as well as oxidation products of pinanediol, a surrogate for organic vapors formed from monoterpenes. A striking resemblance is revealed between the mass spectra from the chamber experiments with oxidized organics and ambient data obtained during new particle formation events at the Hyytiala boreal forest research station. We observe that large oxidized organic compounds, arising from the oxidation of monoterpenes, cluster directly with single sulfuric acid molecules and then form growing clusters of one to three sulfuric acid molecules plus one to four oxidized organics. Most of these organic compounds retain 10 carbon atoms, and some of them are remarkably highly oxidized (oxygen-to-carbon ratios up to 1.2). The average degree of oxygenation of the organic compounds decreases while the clusters are growing. Our measurements therefore connect oxidized organics directly, and in detail, with the very first steps of new particle formation and their growth between 1 and 2 nm in a controlled environment. Thus, they confirm that oxidized organics are involved in both the formation and growth of particles under ambient conditions.

Lanthanum–Strontium–Manganese Perovskites as Redox Materials for Solar Thermochemical Splitting of H2O and CO2

Abstract: A thermodynamic and experimental investigation of a new class of solar thermochemical redox intermediates, namely, lanthanum–strontium–manganese perovskites, is presented. A defect model based on low-temperature oxygen non-stoichiometry data is formulated and extrapolated to higher temperatures more relevant to thermochemical redox cycles. Strontium contents of x = 0.3 (LSM30) and x = 0.4 (LSM40) in La1–xSrxMnO3−δ result in favorable reduction extents compared to ceria in the temperature range of 1523–1923 K. Oxidation with CO2 and H2O is not as thermodynamically favorable and largely dependent upon the oxidant concentration. The model is experimentally validated by O2 non-stoichiometry measurements at high temperatures (>1623 K) and CO2 reduction cycles with commercially available LSM35. Theoretical solar–fuel energy conversion efficiencies for LSM40 and ceria redox cycles are 16 and 22% at 1800 K and 13 and 7% at 1600 K, respectively.

Memory effect in a lithium-ion battery

Abstract: Memory effects are well known to users of nickel-cadmium and nickel-metal-hydride batteries. If these batteries are recharged repeatedly after being only partially discharged, they gradually lose usable capacity owing to a reduced working voltage. Lithium-ion batteries, in contrast, are considered to have no memory effect. Here we report a memory effect in LiFePO4-one of the materials used for the positive electrode in Li-ion batteries-that appears already after only one cycle of partial charge and discharge. We characterize this memory effect of LiFePO4 and explain its connection to the particle-by-particle charge/discharge model. This effect is important for most battery uses, as the slight voltage change it causes can lead to substantial miscalculations in estimating the state of charge of batteries.

Contribution of nitrated phenols to wood burning brown carbon light absorption in Detling, United Kingdom during winter time.

Abstract: We show for the first time quantitative online measurements of five nitrated phenol (NP) compounds in ambient air (nitrophenol C6H5NO3, methylnitrophenol C7H7NO3, nitrocatechol C6H5NO4, methylnitrocatechol C7H7NO4, and dinitrophenol C6H4N2O5) measured with a micro-orifice volatilization impactor (MOVI) high-resolution chemical ionization mass spectrometer in Detling, United Kingdom during January–February, 2012. NPs absorb radiation in the near-ultraviolet (UV) range of the electromagnetic spectrum and thus are potential components of poorly characterized light-absorbing organic matter (“brown carbon”) which can affect the climate and air quality. Total NP concentrations varied between less than 1 and 98 ng m–3, with a mean value of 20 ng m–3. We conclude that NPs measured in Detling have a significant contribution from biomass burning with an estimated emission factor of 0.2 ng (ppb CO)−1. Particle light absorption measurements by a seven-wavelength aethalometer in the near-UV (370 nm) and literature val...