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At least 37 records · Page 2

Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes

A method is presented for screening fragment libraries using acoustic droplet ejection to co-crystallize proteins and chemicals directly on micromeshes with as little as 2.5 nl of each component. This method was used to identify previously unreported fragments that bind to lysozyme, thermolysin, and trypsin. Acoustic droplet ejection (ADE) is a powerful technology that supports crystallographic applications such as growing, improving and manipulating protein crystals. A fragment-screening strategy is described that uses ADE to co-crystallize proteins with fragment libraries directly on MiTeGen MicroMeshes. Co-crystallization trials can be prepared rapidly and economically. The high speed of specimen preparation and the low consumption of fragment and protein allow the use of individual rather than pooled fragments. The Echo 550 liquid-handling instrument (Labcyte Inc., Sunnyvale, California, USA) generates droplets with accurate trajectories, which allows multiple co-crystallization experiments to be discretely positioned on a single data-collection micromesh. This accuracy also allows all components to be transferred through small apertures. Consequently, the crystallization tray is in equilibrium with the reservoir before, during and after the transfer of protein, precipitant and fragment to the micromesh on which crystallization will occur. This strict control of the specimen environment means that the crystallography experiments remain identical as the working volumes are decreased from the few microlitres level to the few nanolitres level. Using this system, lysozyme, thermolysin, trypsin and stachydrine demethylase crystals were co-crystallized with a small 33-compound mini-library to search for fragment hits. This technology pushes towards a much faster, more automated and more flexible strategy for structure-based drug discovery using as little as 2.5 nl of each major component.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Southeast Regional Carbon Sequestration Partnership (SECARB): Analyze Data Collected, Revise Surface Monitoring Plan to Maximize Benefit and Continue Data Collection

Objectives of the shallow groundwater study at the Cranfield site since 2008, as a part of the SECARB Phase III early test, were to 1) assess potential impacts of CO 2 leakage on groundwater quality; and 2) test and develop monitoring technologies for CO 2 leakage detection. The study did not intend to seek CO2 leakage signals via monitoring groundwater chemistry in the Cranfield shallow aquifer. Instead, quarterly or semi-annually groundwater sampling from the shallow aquifer was used to characterize spatial and temporal variations in geochemical parameters because CO 2 injection into the deep reservoir started in 2008.

01 COAL, LIGNITE, AND PEAT↗

Environmental monitoring via the ERTS-1 Data Collection System.

The Data Collection System (DCS) provides users with near real-time environmental data from earth-based sensors relayed via the Earth Resources Technology Satellite (ERTS-1) to Goddard Space Flight Center. Data is received at Goddard at least twice per day from each sensor and distributed to users (who operate the sensors and transmitters) by mail and teletype. Data collection platforms are discussed together with DCS equipment and the ground receiving and processing equipment.

Painter, J. E.↗

Optimizing ICEBERG LArTPC Run Configuration for Data Collection

To ensure accurate data collection and diagnostics of the ICEBERG electronics, charge injection runs were completed using a pulser to mimic known charge deposition amounts on the LArTPC wires and collect data for analysis and calibration. This analysis is essential for optimizing the detector's performance by identifying the optimal range of DAC values that avoid saturation zones and provide the best experimental results for non-pulser runs.

Ganguly, Neil↗

Optimizing ICEBERG LArTPC Run Configuration for Data Collection

To ensure accurate data collection and diagnostics of the ICEBERG electronics, simulation runs were completed using a pulser to mimic charge deposition on the LArTPC wires and collect data for analysis and calibration. This analysis is essential for optimizing the detector's performance by identifying the optimal range of DAC values that avoid saturation zones and provide the best experimental results for real non-pulser runs.

Ganguly, Neil↗

Constraints on mediator-based dark matter and scalar dark energy models using $\sqrt{s}$ = 13 TeV pp collision data collected by the ATLAS detector

Constraints on selected mediator-based dark matter models and a scalar dark energy model using up to 37 fb ₋1 $\sqrt{s}$ = 13 TeV pp collision data collected by the ATLAS detector at the LHC during 2015-2016 are summarised in this paper. The conclusions of experimental searches in a variety of final states are interpreted in terms of a set of spin-1 and spin-0 single-mediator dark matter simplified models and a second set of models involving an extended Higgs sector plus an additional vector or pseudo-scalar mediator. The searches considered in this paper constrain spin-1 leptophobic and leptophilic mediators, spin-0 colour-neutral and colour-charged mediators and vector or pseudo-scalar mediators embedded in extended Higgs sector models. In this case, also $\sqrt{s}$ = 8 TeV pp collision data are used for the interpretation of the results. The results are also interpreted for the first time in terms of light scalar particles that could contribute to the accelerating expansion of the universe (dark energy).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A search for flavour changing neutral currents in top-quark decays in pp collision data collected with the ATLAS detector at √s = 7 TeV

A search for flavour changing neutral current (FCNC) processes in top-quark decays by the ATLAS Collaboration is presented. Data collected from pp collisions at the LHC at a centre-of-mass energy of √s = 7 TeV during 2011, corresponding to an integrated luminosity of 2.1 fb⁻¹, were used. A search was performed for top-quark pair-production events, with one top quark decaying through the t → Zq FCNC (q = u, c) channel, and the other through the Standard Model dominant mode t → Wb. Only the decays of the Z boson to charged leptons and leptonic W-boson decays were considered as signal. Consequently, the final-state topology is characterised by the presence of three isolated charged leptons, at least two jets and missing transverse momentum from the undetected neutrino. No evidence for an FCNC signal was found. An upper limit on the t → Zq branching ratio of BR(t → Zq) < 0.73% is set at the 95% confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Study of the rare decays of B s 0 and B 0 mesons into muon pairs using data collected during 2015 and 2016 with the ATLAS detector

A study of the decays B s 0 → μ + μ – and B 0 → μ + μ – has been performed using 26.3 fb –1 of 13 TeV LHC proton-proton collision data collected with the ATLAS detector in 2015 and 2016. Since the detector resolution in μ + μ – invariant mass is comparable to the B s 0 -B 0 mass difference, a single fit determines the signal yields for both decay modes. This results in a measurement of the branching fraction B(B s 0 → μ + μ – ) = (3.2 +1.1 –1.0 ) × 10 –9 and an upper limit B(B 0 → μ + μ – ) < 4.3×10 –10 at 95% confidence level. The result is combined with the Run 1 ATLAS result, yielding B(B s 0 → μ + μ – ) = (2.8 +0.8 –0.7 ) × 10 –9 and B(B 0 → μ + μ – ) < 2.1 × 10 –10 at 95% confidence level. The combined result is consistent with the Standard Model prediction within 2.4 standard deviations in the B(B 0 → μ + μ – ) – B(B 0 s → μ + μ – ) plane.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search for flavour-changing neutral current top-quark decays to qZ in pp collision data collected with the ATLAS detector at √s = 8 TeV

A search for the flavour-changing neutral-current decay t → qZ is presented. Data collected by the ATLAS detector during 2012 from proton–proton collisions at the Large Hadron Collider at a centre-of-mass energy of √s = 8 TeV, corresponding to an integrated luminosity of 20.3 fb –1 , are analysed. Top-quark pair-production events with one top quark decaying through the t → qZ ( q=u,c ) channel and the other through the dominant Standard Model mode t → bW are considered as signal. Only the decays of the Z boson to charged leptons and leptonic W boson decays are used. Furthermore, no evidence for a signal is found and an observed (expected) upper limit on the t → qZ branching ratio of 7×10 –4 ( 8×10 –4 ) is set at the 95 % confidence level

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Offshore Gulf of Mexico Data Collection

Spatial data acquired from credible sources and created using analytical methods for the Gulf of Mexico. This collection contains information on public and industrial infrastructure, environmental, and socioeconomic factors. Much of these data were originally collected to measure the potential impacts of oil spills and the collection has continued to build into a robust and wide-ranging spatial database available on EDX Spatial.

data collection↗

Comparative analysis of data collection methods for individualized modeling of radiologists' visual similarity judgments

Rationale and Objectives: We conducted an observer study to investigate how the data collection method affects the efficacy of modeling individual radiologists judgments regarding the perceptual similarity of breast masses on mammograms. Materials and Methods: Institutional review board approval was obtained prior to the study. Six observers of variable experience levels in breast imaging were recruited to assess the perceptual similarity of mammographic masses. The observers subjective judgments were collected using: (i) a rating method, (ii) a preference method, and (iii) a hybrid method combining rating and ranking. Personalized user models were developed with the collected data to predict observers opinions. The relative efficacy of each data collection method was assessed based on the classification accuracy of the resulting user models. Results: The hybrid data collection method produced significantly more accurate individualized user models of perceptual opinions with comparable and sometimes better time efficiency than the other two data collection methods. The user models derived from hybrid data were clearly superior even when developed with a dramatically smaller number of training cases. Conclusions: A hybrid method combining rating and ranking is an intuitive and efficient way for collecting subjective similarity judgments to model human perceptual opinions with a higher accuracy than other more commonly used data collection methods.

breast imaging↗

Transmitter data collection using Ada

A data collection system installed on the 400 kilowatt X-band transmitter of the Goldstone Solar System Radar is described. The data collection system is built around the off-the-shelf IEEE 488 instrumentation, linked with fiber optics, controlled by an inexpensive computer, and uses software written in the Ada language. The speed and accuracy of the system is discussed, along with programming techniques used for both data collection and reduction.

Conroy, B. L.↗

Measurement of the photon identification efficiencies with the ATLAS detector using LHC Run 2 data collected in 2015 and 2016

The efficiency of the photon identification criteria in the ATLAS detector is measured using 36.1 fb 1 to 36.7 fb 1 of pp collision data at √s = 13 TeV collected in 2015 and 2016. The efficiencies are measured separately for converted and unconverted isolated photons, in four different pseudorapidity regions, for transverse momenta between 10 GeV and 1.5 TeV. The results from the combination of three data-driven techniques are compared with the predictions from simulation after correcting the variables describing the shape of electromagnetic showers in simulation for the average differences observed relative to data. Data-to-simulation efficiency ratios are determined to account for the small residual efficiency differences. These factors are measured with uncertainties between 0.5% and 5% depending on the photon transverse momentum and pseudorapidity. The impact of the isolation criteria on the photon identification efficiency, and that of additional soft pp interactions, are also discussed. The probability of reconstructing an electron as a photon candidate is measured in data, and compared with the predictions from simulation. In conclusion, the efficiency of the reconstruction of photon conversions is measured using a sample of photon candidates from Z → μμγ events, exploiting the properties of the ratio of the energies deposited in the first and second longitudinal layers of the ATLAS electromagnetic calorimeter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Epi Archive: automated data collection of notifiable disease data

LANL has built a software program that automatically collects global notifiable disease data—particularly data stored in files—and makes it available and shareable within the Biosurveillance Ecosystem(BSVE) as a new data source. This will improve the prediction and early warning of disease events and other applications. Most countries do not report national notifiable disease data in a machine-readable format. Data are often in the form of a file that contains text, tables and graphs summarizing weekly or monthly disease counts. This presents a problem when information is needed for more data intensive approaches to epidemiology, biosurveillance and public health as exemplified by the Biosurveillance Ecosystem(BSVE).While most nations do likely store their data in a machine-readable format, the governments are often hesitant to share data openly for a variety of reasons that include technical, political, economic, and motivational issues. For example, an attempt by LANL to obtain a weekly version of openly available monthly data, reported by the Australian government, resulted in an onerous bureaucratic reply. The obstacles to obtaining data included: paperwork to request data from each of the Australian states and territories, a long delay to obtain data (up to 3 months) and extensive limitations on the data’s use that prohibit collaboration and sharing. This type of experience when attempting to contact public health departments or ministries of health for data is not uncommon. A survey conducted by LANL of notifiable disease data reporting in 52 countries identified only 10 as being machine-readable and 42 being reported in pdf files on a regular basis. Within the 42 nations that report in pdf files, 32 report in a structured, tabular format and10 in a non-structured way. As a result, LANL has developed a tool-Epi Archive (formerly known as EPIC)-to automatically and continuously collect global notifiable disease data and make it readily accessible. We conducted a survey of the national notifiable disease reporting systems notating how the data is reported in two important dimensions: date standards and case definitions. The development of software to regularly ingests notifiable disease data frand makes this data available involved four main steps scraping, extracting, parsing and persisting. For scraping: we would examine website designs and determine reporting mechanisms for each country/website as well as what varies across the reporting mechanisms. We then designed and wrote code to automate the downloading of report pdf files, for each country. We stored report pdfs along with appropriate metadata for extracting and parsing. For extracting: we developed software that can extract notifiable disease data presented in tabular form from a pdf file. We combined the methodology of figure placement detection with the in-house developed table extraction and annotation heuristics. For parsing: we determined what to extract from each pdf dataset from the survey conducted. We then parsed the extracted data into uniform data structures correctly accommodating the dimensions surveyed and the various human languages. This task involved ingesting notifiable disease data in many disparate formats extracted from pdf files and coalescing the data into a standardized format. For persisting: We then store the data in the Epi Archive PostgreSQL database and make it available through the BSVE. The EpiArchive tool currently contains subnational notifiable disease data from 10 nations. When a user accesses the EpiArchive site, they are prompted with four fields: country, region, disease, and date duration. These fields allow the user to specify the location(down to the state level), the disease of interest, and the duration of interest. Upon form submission, a time series is generated from the users’ specifications. The generated time series can then be downloaded into a csv file if a user is interested in performing personal analysis. Additionally, the data from EpiArchive can be reached through an API. LANL as part of a currently funded DTRA effort so that it will automatically and continuously collect global notifiable disease data—particularly data stored in pdf files—and make it available and shareable within the Biosurveillance Ecosystem (BSVE) as a new data source. This will provide data to analytics and users that will improve the prediction and early warning of disease events and other applications.

59 BASIC BIOLOGICAL SCIENCES↗

An evaluation of the ERTS data collection system as a potential operational tool

The Earth Resources Technology Satellite Data Collection System has been shown to be, from the users vantage point, a reliable and simple system for collecting data from U.S. Geological Survey operational field instrumentation. It is technically feasible to expand the ERTS system into an operational polar-orbiting data collection system to gather data from the Geological Survey's Hydrologic Data Network. This could permit more efficient internal management of the Network, and could enable the Geological Survey to make data available to cooperating agencies in near-real time. The Geological Survey is conducting an analysis of the costs and benefits of satellite data-relay systems.

Paulson, R. W.↗

Collecting data in the home laboratory: evolution of X-ray sources, detectors and working practices

Recent developments in X-ray crystallographic hardware related to structural biology research are presented and discussed. While the majority of macromolecular X-ray data are currently collected using highly efficient beamlines at an ever-increasing number of synchrotrons, there is still a need for high-performance reliable systems for in-house experiments. In addition to crystal screening and optimization of data-collection parameters before a synchrotron trip, the home system allows the collection of data as soon as the crystals are produced to obtain the solution of novel structures, especially by the molecular-replacement method, and is invaluable in achieving the quick turnover that is often required for ligand-binding studies in the pharmaceutical industry. There has been a continuous evolution of X-ray sources, detectors and software developed for in-house use in recent years and a diverse range of tools for structural biology laboratories are available. An overview of the main directions of these developments and examples of specific solutions available to the macromolecular crystallography community are presented in this paper, showing that data collection ‘at home’ is still an attractive proposition complementing the use of synchrotron beamlines.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Perdeuteration, crystallization, data collection and comparison of five neutron diffraction data sets of complexes of human galectin-3C

Galectin-3 is an important protein in molecular signalling events involving carbohydrate recognition, and an understanding of the hydrogen-bonding patterns in the carbohydrate-binding site of its C-terminal domain (galectin-3C) is important for the development of new potent inhibitors. The authors are studying these patterns using neutron crystallography. Here, the production of perdeuterated human galectin-3C and successive improvement in crystal size by the development of a crystal-growth protocol involving feeding of the crystallization drops are described. The larger crystals resulted in improved data quality and reduced data-collection times. Furthermore, protocols for complete removal of the lactose that is necessary for the production of large crystals of apo galectin-3C suitable for neutron diffraction are described. Five data sets have been collected at three different neutron sources from galectin-3C crystals of various volumes. It was possible to merge two of these to generate an almost complete neutron data set for the galectin-3C–lactose complex. As a result, these data sets provide insights into the crystal volumes and data-collection times necessary for the same system at sources with different technologies and data-collection strategies, and these insights are applicable to other systems.

59 BASIC BIOLOGICAL SCIENCES↗