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Precision analysis of the photomultiplier response to ultra low signals

Here, a new computational model for the description of the photon detector response functions measured in conditions of low light is presented, together with examples of the observed photomultiplier signal amplitude distributions, successfully described using the parameterized model equation. In extension to the previously known approximations, the new model describes the underlying discrete statistical behavior of the photoelectron cascade multiplication processes in photon detectors with complex non-uniform gain structure of the first dynode. Important features of the model include the ability to represent the true single-photoelectron spectra from different photomultipliers with a variety of parameterized shapes, reflecting the variability in the design and in the individual parameters of the detectors. The new software tool is available for evaluation of the detectors’ performance, response, and efficiency parameters that may be used in various applications including the ultra low background experiments such as the searches for Dark Matter and rare decays, underground neutrino studies, optimizing operations of the Cherenkov light detectors, help in the detector selection procedures, and in the experiment simulations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Signatures of local nitrogen adaptation in the Brachypodium distachyon root microbiome

Plants associate with diverse microbiomes that impact their fitness, yet the contribution of the microbiome to plant adaptation is uncertain. As plant recruitment of its microbiome can be both highly variable and genetically determined, we hypothesized this recruitment process may be the result of adaptive evolution, and contributing to plant local adaptation. We investigated the evolution and adaptive benefit of plant–microbiome recruitment by characterizing the rhizosphere communities across a genotypic panel of Brachypodium distachyon in a common garden experiment. By linking microbial communities to their host genotype's historic environment, we identified signatures of selection on plant–microbiome recruitment. Plant–microbiome composition was significantly correlated with the host genotype's historic environment, with enrichment of microbial traits aligned to local resource conditions. For example, genotypes from low-nitrogen environments recruited communities enriched in nitrogen acquisition traits. In a complementary experiment evaluating plant nitrogen response, these same genotypes were well-adapted to low-nitrogen environments, contingent on the presence of key nitrogen-cycling microbes. These results suggest that local adaptation in plants may partially be mediated by recruitment of beneficial microbiomes. This perspective suggests that plant adaptation may be an emergent property of host–microbe interactions, where evolutionary responses favor traits that promote recruitment of locally beneficial microbiomes.

59 BASIC BIOLOGICAL SCIENCES↗

Data from: "Ecophysiological variation in two provenances of Pinus flexilis seedlings across an elevation gradient from forest to alpine"

This archive contains data used to support conclusions drawn in “Ecophysiological variation in two provenances of Pinus flexilis seedlings across an elevation gradient from forest to alpine”, by Reinhardt et al., 2011. Data were collected over one summer season in plots within the Alpine Treeline Warming Experiment (ATWE), before climate manipulations began. The experiment was located on Niwot Ridge, in the Front Range of the Colorado Rocky Mountains. This data package includes five comma-separated-values (.csv) files, five Microsoft Excel (.xlsx) files, one .pdf file, and two types of geospatial files: keyhole markup language (.kml), and ESRI shapefiles (.shp). .csv files can be opened using any simple text-editing software (such as Notepad and TextEdit), R, and Microsoft Excel. .xlsx files can only be opened using Microsoft Excel. The .pdf file can be opened using Adobe Acrobat Reader or any other compatible file viewing software. The .kml file can be opened using Google Earth and Google Maps, and shapefiles can be opened using any software compatible with the file type, such as ESRI’s ArcGIS suite and QGIS.Data archived contain gas exchange and plant physiology measurements, non-structural carbohydrate data, among others. Geospatial files are also provided for additional locational context. The files and their contents in this data package are summarized under "Data Summary" in the included Data User's Guide. All files (excluding geospatial) are available in both Microsoft Excel and in .csv format, and are indicated in the Data Summary list as well.-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------Climate change is predicted to cause upward shifts in forest tree distributions, which will require seedling recruitment beyond current forest boundaries. However, predicting the likelihood of successful plant establishment beyond current species’ ranges under changing climate is complicated by the interaction of genetic and environmental controls on seedling establishment. To determine how genetics and climate may interact to affect seedling establishment, we transplanted recently germinated seedlings from high- and low-elevation provenances (HI and LO, respectively) of Pinus flexilis in common gardens arrayed along an elevation and canopy gradient from subalpine forest into the alpine zone and examined differences in physiology and morphology between provenances and among sites. Plant dry mass, projected leaf area and shoot:root ratios were 12–40% greater in LO compared with HI seedlings at each elevation. There were no significant changes in these variables among sites except for decreased dry mass of LO seedlings in the alpine site. Photosynthesis, carbon balance (photosynthesis/respiration) and conductance increased >2× with elevation for both provenances, and were 35–77% greater in LO seedlings compared with HI seedlings. There were no differences in dark-adapted chlorophyll fluorescence (Fv/Fm) among sites or between provenances. Our results suggest that for P. flexilis seedlings, provenances selected for above-ground growth may outperform those selected for stress resistance in the absence of harsh climatic conditions, even well above the species’ range limits in the alpine zone. This indicates that forest genetics may be important to understanding and managing species’ range adjustments due to climate change.

54 ENVIRONMENTAL SCIENCES↗

Diverse plant-associated pleosporalean fungi from saline areas: Ecological tolerance and nitrogen-status dependent effects on plant growth

Similar to mycorrhizal mutualists, the rhizospheric and endophytic fungi are also considered to act as active regulators of host fitness (e.g., nutrition and stress tolerance). Despite considerable work in selected model systems, it is generally poorly understood how plant-associated fungi are structured in habitats with extreme conditions and to what extent they contribute to improved plant performance. Here, we investigate the community composition of root and seed-associated fungi from six halophytes growing in saline areas of China, and found that the pleosporalean taxa (Ascomycota) were most frequently isolated across samples. A total of twenty-seven representative isolates were selected for construction of the phylogeny based on the multi-locus data (partial 18S rDNA, 28S rDNA, and transcription elongation factor 1-a), which classified them into seven families, one clade potentially representing a novel lineage. Fungal isolates were subjected to growth response assays by imposing temperature, pH, ionic and osmotic conditions. The fungi had a wide pH tolerance, while most isolates showed a variable degree of sensitivity to increasing concentration of either salt or sorbitol. Subsequent plant fungal co-culture assays indicated that most isolates had only neutral or even adverse effects on plant growth in the presence of inorganic nitrogen. Interestingly, when provided with organic nitrogen sources the majority of the isolates enhanced plant growth especially above ground biomass. Most of the fungi preferred organic nitrogen over its inorganic counterpart, suggesting that these fungi can readily mineralize organic nitrogen into inorganic nitrogen. Microscopy revealed that several isolates can successfully colonize roots and form melanized hyphae and/or microsclerotia-like structures within cortical cells suggesting a phylogenetic assignment as dark septate endophytes. Furthermore, this work provides a better understanding of the symbiotic relationship between plants and pleosporalean fungi, and initial evidence for the use of this fungal group in benefiting plant production.

59 BASIC BIOLOGICAL SCIENCES↗

Measurements of W + W - + ≥ 1 jet production cross-sections in pp collisions at $ \sqrt{s} $ = 13 TeV with the ATLAS detector

Fiducial and differential cross-section measurements of W + W - production in association with at least one hadronic jet are presented. These measurements are sensitive to the properties of electroweak-boson self-interactions and provide a test of perturbative quantum chromodynamics and the electroweak theory. The analysis is performed using proton-proton collision data collected at $ \sqrt{s} $ = 13 TeV with the ATLAS experiment, corresponding to an integrated luminosity of 139 fb -1 . Events are selected with exactly one oppositely charged electron-muon pair and at least one hadronic jet with a transverse momentum of p T > 30 GeV and a pseudorapidity of |η| < 4.5. After subtracting the background contributions and correcting for detector effects, the jet-inclusive W + W - + ≥ 1 jet fiducial cross-section and W + W - + jets differential cross-sections with respect to several kinematic variables are measured. These measurements include leptonic quantities, such as the lepton transverse momenta and the transverse mass of the W + W - system, as well as jet-related observables such as the leading jet transverse momentum and the jet multiplicity. Limits on anomalous triple-gauge-boson couplings are obtained in a phase space where interference between the Standard Model amplitude and the anomalous amplitude is enhanced.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Deformable Image Registration for Adaptive Radiation Therapy of Head and Neck Cancer: Accuracy and Precision in the Presence of Tumor Changes

Purpose: To compare deformable image registration (DIR) accuracy and precision for normal and tumor tissues in head and neck cancer patients during the course of radiation therapy (RT). Methods and Materials: Thirteen patients with oropharyngeal tumors, who underwent submucosal implantation of small gold markers (average 6, range 4-10) around the tumor and were treated with RT were retrospectively selected. Two observers identified 15 anatomical features (landmarks) representative of normal tissues in the planning computed tomography (pCT) scan and in weekly cone beam CTs (CBCTs). Gold markers were digitally removed after semiautomatic identification in pCTs and CBCTs. Subsequently, landmarks and gold markers on pCT were propagated to CBCTs, using a b-spline-based DIR and, for comparison, rigid registration (RR). To account for observer variability, the pair-wise difference analysis of variance method was applied. DIR accuracy (systematic error) and precision (random error) for landmarks and gold markers were quantified. Time trend of the precisions for RR and DIR over the weekly CBCTs were evaluated. Results: DIR accuracies were submillimeter and similar for normal and tumor tissue. DIR precision (1 SD) on the other hand was significantly different (P<.01), with 2.2 mm vector length in normal tissue versus 3.3 mm in tumor tissue. No significant time trend in DIR precision was found for normal tissue, whereas in tumor, DIR precision was significantly (P<.009) degraded during the course of treatment by 0.21 mm/week. Conclusions: DIR for tumor registration proved to be less precise than that for normal tissues due to limited contrast and complex non-elastic tumor response. Caution should therefore be exercised when applying DIR for tumor changes in adaptive procedures.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Southwestern U.S. Biomass Burning Smoke Hygroscopicity: The Role of Plant Phenology, Chemical Composition, and Combustion Properties

Biomass burning emissions have substantially increased with continued warming and drying in the southwestern U.S., impacting air quality and atmospheric processes. To better quantify impacts of biomass burning aerosols, an extensive laboratory study of fresh smoke emissions was conducted at Los Alamos National Laboratory. Laboratory burn experiments with selected native and invasive southwestern U.S. fuels were used to elucidate the role of fuel type, chemical composition, and ignition method on the hygroscopicity of smoke. Here we focus on a custom controlled relative humidity (RH) nephelometry system using the direct measurement of aerosol light scattering with two nephelometers—one at dry conditions and one at a controlled high RH (RH ~ 85%). Aerosol hygroscopicity was highly variable with the enhancement in light scattering coefficient in the range of 1.02 < f (RH = 85%) < 2.1 and corresponding to the kappa parameter (κ neph ) ranging from ~0 to 0.18. Hygroscopicity is determined primarily by the fuel's inorganic ion content. For example, invasive halophytes with high inorganic salt content exhibit much greater water uptake than native coniferous species with low inorganic content. Combustion temperature and phase, flaming or smoldering, play a secondary role in the water uptake of smoke. High–temperature ignition methods create flaming conditions that enhance hygroscopicity while lower–temperature smoldering conditions diminish hygroscopicity. Our results construct an empirical relation between κ neph and the inorganic content of the fuel and smoke to predict water uptake.

54 ENVIRONMENTAL SCIENCES↗

Coordination and activation of nitrous oxide by iron zeolites

Iron-containing zeolites are heterogeneous catalysts that exhibit remarkable activity in the selective oxidation of inert hydrocarbons and catalytic decomposition of nitrous oxide (N 2 O). The reduction of N 2 O is critical to both these functions, but experimental data tracking the iron active sites during N 2 O binding and activation are limited. Here, the N 2 O-ligated Fe(ii) active site in iron-exchanged zeolite beta is isolated and characterized by variable-temperature Mössbauer, diffuse reflectance UV-vis-NIR and Fourier transform infrared spectroscopy. N 2 O binds through the terminal nitrogen atom with substantial backbonding from the Fe(ii) centre at low temperature. At higher temperatures, the Fe–N 2 O interaction is weakened, facilitating isomerization to the O-bound form, which is competent in O-atom transfer. Density functional theory calculations show the geometric and electronic structure requirements for N 2 O binding and activation. A geometric distortion imposed by the zeolite lattice plays an important role in activating N 2 O. As a result, this highlights a mechanism for structural control over function in Fe-zeolite catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding the unique optical and vibrational signatures of sequential infiltration synthesis derived indium oxyhydroxide clusters for CO 2 absorption

Sequential infiltration synthesis (SIS) is a vapor phase synthesis technique with potential to exert precise control over metal oxyhydroxide incorporation into polymer scaffolds. Here, we observe strong size-dependent properties of InO x (OH) y few-atom clusters deposited with variable SIS cycle numbers within a polymethylmethacrylate (PMMA) matrix. Infrared spectroscopy and ultraviolet-visible absorption spectroscopy reveal that the metal atom coordination and optical properties of the clusters depend on the number of SIS cycles performed as well as the choice of processing parameters. The incorporation of indium oxyhydroxide in PMMA via SIS presents an opportunity to improve the CO 2 absorption capacity and gas selectivity of inexpensive polymers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

American Gut: an Open Platform for Citizen Science Microbiome Research

Although much work has linked the human microbiome to specific phenotypes and lifestyle variables, data from different projects have been challenging to integrate and the extent of microbial and molecular diversity in human stool remains unknown. Using standardized protocols from the Earth Microbiome Project and sample contributions from over 10,000 citizen-scientists, together with an open research network, we compare human microbiome specimens primarily from the United States, United Kingdom, and Australia to one another and to environmental samples. Our results show an unexpected range of beta-diversity in human stool microbiomes compared to environmental samples; demonstrate the utility of procedures for removing the effects of overgrowth during room-temperature shipping for revealing phenotype correlations; uncover new molecules and kinds of molecular communities in the human stool metabolome; and examine emergent associations among the microbiome, metabolome, and the diversity of plants that are consumed (rather than relying on reductive categorical variables such as veganism, which have little or no explanatory power). We also demonstrate the utility of the living data resource and cross-cohort comparison to confirm existing associations between the microbiome and psychiatric illness and to reveal the extent of microbiome change within one individual during surgery, providing a paradigm for open microbiome research and education. We show that a citizen science, self-selected cohort shipping samples through the mail at room temperature recaptures many known microbiome results from clinically collected cohorts and reveals new ones. Of particular interest is integrating n = 1 study data with the population data, showing that the extent of microbiome change after events such as surgery can exceed differences between distinct environmental biomes, and the effect of diverse plants in the diet, which we confirm with untargeted metabolomics on hundreds of samples.

59 BASIC BIOLOGICAL SCIENCES↗

Domain Decomposition for Integer Optimal Control with Total Variation Regularization

Total variation integer optimal control problems admit solutions and necessary optimality conditions via geometric variational analysis. In spite of the existence of said solutions, algorithms which solve the discretized objective suffer from high numerical cost associated with the combinatorial nature of integer programming. Hence, such methods are often limited to small and medium-sized problems. We propose a globally convergent, coordinate descent–inspired algorithm that allows tractable subproblem solutions restricted to a partition of the domain. Our decomposition method solves relatively small trust-region subproblems that modify the control variable on a subdomain only. Given nontrivial subdomain overlap, we prove that a global first-order necessary optimality condition is equivalent to a first-order necessary optimality condition per subdomain. We additionally show that a sufficient decrease is achieved on a single subdomain by way of a trust-region subproblem solver using geometric measure–theoretic arguments, which we integrate with a greedy patch selection to prove convergence of our algorithm. In conclusion, we demonstrate the practicality of our algorithm on a benchmark large-scale, PDE-constrained integer optimal control problem and find that our method is faster than the state of the art.

domain decomposition↗

National Open-ocean Energy Laboratory (Final Technical Report)

Under the authorization provided by Section 634 of the Energy Independence and Security Act of 2007 (P.L. 110-140), in 2009 FAU was awarded U.S. Congressionally Directed Program (CDP) funding through the U.S. Department of Energy (DOE) to investigate and develop technologies to harness the energy of the Florida Current as a source of clean, renewable, base-load power for Florida and the U.S. A second CDP award in 2010 provided additional funding in order to enhance and extend FAU’s activities. These two CDPs in 2009 and 2010 were combined into a single DOE grant, DE-EE0000319, and are the subject of this report. Subsequently, in July 2010 funding was made available under a separate contract, DE-EE0004200. Under that funding, DOE’s Wind and Water Power Program designated FAU’s state of Florida marine renewable energy (MRE) center as the Southeast National Marine Renewable Energy Center (SNMREC). This report discusses SNMREC activities funded by the DE-EE0000319 grant, but will make reference, as appropriate, to activities that require further investigation under the follow-on grant. The concept of extracting energy from the motions of the oceans has a long history. However, implementation on large scales of the technologies to effect renewable energy recovery from waves, tides, and open-ocean currents is relatively recent. DOE’s establishment of SNMREC recognizes a significant potential for ocean current energy recovery associated with the (relatively) high-speed Florida Current, the reach of the Gulf Stream System flowing through the Straits of Florida, between the Florida Peninsula and the Bahamas Archipelago. The proximity of the very large electrical load center of southeast Florida’s metropolitan area to the resource itself makes this potential all the more attractive. As attractive as this potential energy source is, it is not without its challenges. Although the technology is conceptually simple, its design and implementation in a commercially-viable fashion presents a variety of challenges. Beyond the technology itself (and, especially, the effects on the technology of the harsh oceanic environment), it is important to consider the possible environmental impacts of commercial-scale implementation of oceanic energy extraction. Further, because such implementation represents a completely new undertaking, the human resources required do not exist, so education and training programs are critical to eventual success. This project, establishing a national open-ocean energy laboratory, was designed to address each of these three challenges in a flexible framework allowing for adaptive management as the project proceeded. In particular: the technology challenge, including resource assessment, evolved during the project to recognize and address the need for a national testing facility in the ocean for small-scale prototype MRE systems developed by industry; the environmental challenge became formalized and expanded during the permitting process for such a testing facility; and the human resources/societal challenges, both in terms of the need for education and training and in terms of public acceptance of MRE, stimulated a robust outreach program far beyond that originally envisioned at SNMREC. While all of these activities at SNMREC are ongoing, a number of significant milestones (in addition to the contributions listed in the appendices) were achieved under the auspices of this award. These include: Planning and site selection for the first-phase test facility, offshore of Dania Beach, FL, including some equipment for the facility, submission of an Interim Policy Lease Application to the U.S. Department of Interior’s Bureau of Ocean Energy Management (BOEM), and completion of an Environmental Assessment by BOEM and a positive Consistency Determination by the State of Florida; Measurements using acoustic profilers of the current structure and variability in the vicinity of the site under a variety of weather conditions, seasons and time durations; Design and implementation of instrumentation for the first phase of the offshore testing facility, the wet- and top-side data acquisition systems, and shore-based analysis systems; Implementation of a laboratory-scale dynamometer system to test generators of up to 25 kW capacity using real-world (simulated) forcing; Completion of 24 months of (airborne) marine vertebrate surveys and associated analysis of sea turtle offshore activity, marine mammal vocalization research, and ocean current turbine hydrodynamic noise characterization; Development of a secondary-school (nominally grade 10) curriculum about hydrokinetic MRE, “Energy from the Oceans: The New Renewable”, and training of over 200 high-school teachers in its use and in how to educate their colleagues in application of the material in the classroom; Presentations to over 50 interested civic groups in the region on various aspects of MRE in SE Florida A series of public lectures to over 600 residents of south Florida to provide broader education on MRE. Development of an interactive kiosk for installation in local science museums. These, and other accomplishments detailed in this report contribute to a comprehensive ongoing program at the SNMREC to support the affordable, responsible, and achievable commercialization of MRE. Many of the tasks of this award are continued or will be verified with follow-on funding DE-EE0004200, and its goal: the installation of the world’s first offshore ocean current turbine testing and validation capability.

16 TIDAL AND WAVE POWER↗

Intra-Hour Dispatch and Automatic Generator Control Demonstration with Solar Forecasting - Final Report

In this project we address multiple resource integration challenges associated with increasing levels of solar penetration that arise from the variability and uncertainty in solar irradiance. We will model the SMUD service region as its own balancing region, and develop an integrated, real-time operational tool that takes solar-load forecast uncertainties into consideration and commits optimal energy resources and reserves for intra-hour and intra-day decisions. The primary objectives of this effort are to reduce power system operation cost by committing appropriate amount of energy resources and reserves, as well as to provide operators a prediction of the generation fleet’s behavior in real time for realistic PV penetration scenarios. The proposed methodology includes the following steps: clustering analysis on the expected solar variability per region for the SMUD system, Day-ahead (DA) and real-time (RT) load forecasts for the entire service areas, 1-year of intra-hour CPR forecasts for cluster centers, 1-year of smart re-forecasting CPR forecasts in real-time for determination of irreducible errors, and uncertainty quantification for integrated solar-load for both distributed and central stations (selected locations within service region) PV generation.

14 SOLAR ENERGY↗

SU-E-T-511: Inter-Rater Variability in Classification of Incidents in a New Incident Reporting System

Purpose To determine how consistent the results of different raters are when reviewing the same cases within the Radiation Oncology Incident Learning System (ROILS). Methods Three second-year medical physics graduate students filled out incident reports in spreadsheets set up to mimic ROILS. All students studied the same 33 cases and independently entered their assessments, for a total of 99 reviewed cases. The narratives for these cases were obtained from a published International Commission on Radiological Protection (ICRP) report which included shorter narratives selected from the Radiation Oncology Safety Information System (ROSIS) database. Each category of questions was reviewed to see how consistent the results were by utilizing free-marginal multirater kappa analysis. The percentage of cases where all raters shared full agreement or full disagreement was recorded to show which questions were answered consistently by multiple raters for a given case. The consistency among the raters was analyzed between ICRP and ROSIS cases to see if either group led to more reliable results. Results The categories where all raters agreed 100 percent in their choices were the event type (93.94 percent of cases 0.946 kappa) and the likelihood of the event being harmful to the patient (42.42 percent of cases 0.409 kappa). The categories where all raters disagreed 100 percent in their choices were the dosimetric severity scale (39.39 percent of cases 0.139 kappa) and the potential future toxicity (48.48 percent of cases 0.205 kappa). ROSIS had more cases where all raters disagreed than ICRP (23.06 percent of cases compared to 15.58 percent, respectively). Conclusion Despite reviewing the same cases, the results among the three raters was widespread. ROSIS narratives were shorter than ICRP, which suggests that longer narratives lead to more consistent results. This study shows that the incident reporting system can be optimized to yield more consistent results.

60 APPLIED LIFE SCIENCES↗

Influence of Process Parameters and Alloy Composition on Crack Mitigation in Selective Laser Melting

Microcracking and residual stresses are key limitations of laser powder bed fusion (LPBF), an additive manufacturing (AM) technique that uses a high power laser to consolidate successive layers of metal powder. For tungsten, these microcracks find their origin in the combination of a ductile-to-brittle transition (DBT) between 200°C and 400°C and high residual stresses. This work utilized in situ high speed video to capture the cracking mechanisms, and combined the experimental results with thermomechanical modeling to unveil correlations between crack network morphology and process parameter-related variables, such as the local temperature and residual stress distributions. Consequently, preheating and alloying with rare earth oxides were adopted as possible crack mitigation strategies, the efficacy of which was tested against the initial fundamental baseline results. Preheating temperatures above 500°C eliminated all cracking, though this threshold is expected to be higher when tungsten powder (higher oxygen content) is introduced. Alloying can serve as an active oxygen getter in the system, but the rare earth oxides in this work were too large to have significant contributions to crack-mitigation.

36 MATERIALS SCIENCE↗

Measurement of the ZZ production cross section in proton-proton collisions at $ \sqrt{s}=8 $ TeV using the ZZ → ℓ – ℓ + ℓ'ℓ' + and $ZZ\to {\ell}^{-}{\ell}^{+}\nu \overline{\nu} $ decay channels with the ATLAS detector

A measurement of the ZZ production cross section in the ℓ – ℓ + ℓ' – ℓ' + and ℓ – ℓ + νν¯channels (ℓ = e, μ) in proton-proton collisions at √s = 8TeV at the Large Hadron Collider at CERN, using data corresponding to an integrated luminosity of 20.3 fb –1 collected by the ATLAS experiment in 2012 is presented. The fiducial cross sections for ZZ → ℓ – ℓ + ℓ' – ℓ' + and ZZ → ℓ – ℓ + νν¯ are measured in selected phase-space regions. The total cross section for ZZ events produced with both Z bosons in the mass range 66 to 116 GeV is measured from the combination of the two channels to be 7.3±0.4(stat)±0.3(syst) –0.1 –0.2 (lumi)pb, which is consistent with the Standard Model prediction of 6.6 –0.6 +0.7 pb. The differential cross sections in bins of various kinematic variables are presented. The differential event yield as a function of the transverse momentum of the leading Z boson is used to set limits on anomalous neutral triple gauge boson couplings in ZZ production.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Scattering amplitudes for monopoles: pairwise little group and pairwise helicity

On-shell methods are particularly suited for exploring the scattering of electrically and magnetically charged objects, for which there is no local and Lorentz invariant Lagrangian description. In this paper we show how to construct a Lorentz-invariant S-matrix for the scattering of electrically and magnetically charged particles, without ever having to refer to a Dirac string. A key ingredient is a revision of our fundamental understanding of multi-particle representations of the Poincaré group. Surprisingly, the asymptotic states for electric-magnetic scattering transform with an additional little group phase, associated with pairs of electrically and magnetically charged particles. The corresponding “pairwise helicity” is identified with the quantized “cross product” of charges, e 1 g 2 - e 2 g 1 , for every charge-monopole pair, and represents the extra angular momentum stored in the asymptotic electromagnetic field. We define a new kind of pairwise spinor-helicity variable, which serves as an additional building block for electric-magnetic scattering amplitudes. We then construct the most general 3-point S-matrix elements, as well as the full partial wave decomposition for the 2 → 2 fermion-monopole S-matrix. In particular, we derive the famous helicity flip in the lowest partial wave as a simple consequence of a generalized spin-helicity selection rule, as well as the full angular dependence for the higher partial waves. Our construction provides a significant new achievement for the on-shell program, succeeding where the Lagrangian description has so far failed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Protein structure prediction guided by crosslinking restraints – A systematic evaluation of the impact of the crosslinking spacer length

Recent development of high-resolution mass spectrometry (MS) instruments enables chemical crosslinking (XL) to become a high-throughput method for obtaining structural information about proteins. Restraints derived from XL-MS experiments have been used successfully for structure refinement and protein–protein docking. However, one formidable question is under which circumstances XL-MS data might be sufficient to determine a protein’s tertiary structure de novo? Answering this question will not only include understanding the impact of XL-MS data on sampling and scoring within a de novo protein structure prediction algorithm, it must also determine an optimal crosslinker type and length for protein structure determination. While a longer crosslinker will yield more restraints, the value of each restraint for protein structure prediction decreases as the restraint is consistent with a larger conformational space. In this study, the number of crosslinks and their discriminative power was systematically analyzed in silico on a set of 2055 non-redundant protein folds considering Lys–Lys, Lys–Asp, Lys–Glu, Cys–Cys, and Arg–Arg reactive crosslinkers between 1 and 60 Å. Depending on the protein size a heuristic was developed that determines the optimal crosslinker length. Next, simulated restraints of variable length were used to de novo predict the tertiary structure of fifteen proteins using the BCL::Fold algorithm. The results demonstrate that a distinct crosslinker length exists for which information content for de novo protein structure prediction is maximized. The sampling accuracy improves on average by 1.0 Å and up to 2.2 Å in the most prominent example. XL-MS restraints enable consistently an improved selection of native-like models with an average enrichment of 2.1.

Biochemistry & Molecular Biology↗