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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 793 records · Page 44

Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs

The G protein–coupled cysteinyl leukotriene receptor CysLT 1 R mediates inflammatory processes and plays a major role in numerous disorders, including asthma, allergic rhinitis, cardiovascular disease, and cancer. Selective CysLT 1 R antagonists are widely prescribed as antiasthmatic drugs; however, these drugs demonstrate low effectiveness in some patients and exhibit a variety of side effects. To gain deeper understanding into the functional mechanisms of CysLTRs, we determined the crystal structures of CysLT 1 R bound to two chemically distinct antagonists, zafirlukast and pranlukast. The structures reveal unique ligand-binding modes and signaling mechanisms, including lateral ligand access to the orthosteric pocket between transmembrane helices TM4 and TM5, an atypical pattern of microswitches, and a distinct four-residue–coordinated sodium site. These results provide important insights and structural templates for rational discovery of safer and more effective drugs.

60 APPLIED LIFE SCIENCES↗

Raman Lidar Profiles Best Estimate Value-Added Product Technical Report

The ARM Raman lidars are semi-autonomous ground-based systems that transmit at a wavelength of 355 nm with 300 mJ, ~5 ns pulses, and a pulse repetition frequency of 30Hz. Signals from the various detection channels are processed to produce time- and height-resolved estimates of several geophysical quantities, such as water vapor mixing ratio, relative humidity, aerosol scattering ratio, backscatter, optical depth, extinction, and depolarization ratio. Data processing is currently handled by a suite of six value-added product (VAP) processes. Collectively, these processes are known as the Raman Lidar Profiles VAP (RLPROF). The top-level best-estimate (BE) VAP process was introduced in order to bring together the most relevant information from the intermediate-level VAPs. As such, the BE process represents the final stage in data processing for the Raman lidar. Its principal function is to extract the primary variables from each of the intermediate-level VAPs, perform additional quality control, and combine all of this information into a single output file for the end-user. The focus of this document is to describe the processing performed by the BE VAP process.

54 ENVIRONMENTAL SCIENCES↗

The nature of triad interactions in homogeneous turbulence

A decomposition of the velocity field in terms of helical modes is used to investigate nonlinear interactions in homogeneous turbulence. In a single-triad interaction, the large-scale helical mode is unstable when the small-scale modes have helicities of opposite signs (class 'F', for 'forward'), and the medium scale is otherwise unstable (class 'R', for 'reverse'). It is proposed that, on average, the triple correlations in a turbulent flow correspond to these unstable states. In the limit of nonlocal triads, where one leg is much smaller than the other two, the triadic interscale energy transfer is largest for interactions of class 'R'. The physical processes associated with both classes of interactions are discussed. It is shown that the large local transfers due to nonlocal 'R' interactions appear in pairs of opposite signs that nearly cancel each other and the net effect corresponds to an advection in wave space.

Waleffe, Fabian↗

Nonlinear numerical simulation of equatorial spread-F - Effects of winds and electric fields

Recent investigations by means of linear theory revealed the importance of the vertical winds on Rayleigh-Taylor (R-T) instability in the bottomside F-region, along with other driving agencies like the zonal electric field and winds. In the present paper, the nonlinear effects of vertical winds and zonal electric fields on the R-T instability are investigated. The results reveal that the effects of downward wind or/and eastward electric field on the evolutionary process of R-T are significant even beyond 350-km altitude where their effects are considered to be less important according to linear theory.

Raghavarao, R.↗

OpenMP-style parallelism in data-centered multicore computing with R

R is a domain specific language widely used for data analysis by the statistics community as well as by researchers in finance, biology, social sciences, and many other disciplines. As R programs are linked to input data, the exponential growth of available data makes high-performance computing with R imperative. To ease the process of writing parallel programs in R, code transformation from a sequential program to a parallel version would bring much convenience to R users. In this paper, we present our work in semiautomatic parallelization of R codes with user-added OpenMPstyle pragmas. While such pragmas are used at the frontend, we take advantage of multiple parallel backends with different R packages. We provide flexibility for importing parallelism with plug-in components, impose built-in MapReduce for data processing, and also maintain code reusability. We illustrate the advantage of the on-the-fly mechanisms which can lead to significant applications in data-centered parallel computing.

Jiang, Lei↗

Pre- and post-processing of cluster galaxies out to 5 × R 200: the extreme case of A2670

ABSTRACT We study galaxy interactions in the large-scale environment around A2670, a massive (M200 = $8.5 \pm 1.2~\times 10^{14} \, \mathrm{{M}_{\odot }}$) and interacting galaxy cluster at z = 0.0763. We first characterize the environment of the cluster out to 5× R200 and find a wealth of substructures, including the main cluster core, a large infalling group, and several other substructures. To study the impact of these substructures (pre-processing) and their accretion into the main cluster (post-processing) on the member galaxies, we visually examined optical images to look for signatures indicative of gravitational or hydrodynamical interactions. We find that ∼21 per cent of the cluster galaxies have clear signs of disturbances, with most of those (∼60 per cent) likely being disturbed by ram pressure. The number of ram-pressure stripping candidates found (101) in A2670 is the largest to date for a single system, and while they are more common in the cluster core, they can be found even at >4 × R200, confirming cluster influence out to large radii. In support of a pre-processing scenario, most of the disturbed galaxies follow the substructures found, with the richest structures having more disturbed galaxies. Post-processing also seems plausible, as many galaxy–galaxy mergers are seen near the cluster core, which is not expected in relaxed clusters. In addition, there is a comparable fraction of disturbed galaxies in and outside substructures. Overall, our results highlight the complex interplay of gas stripping and gravitational interactions in actively assembling clusters up to 5 × R200, motivating wide-area studies in larger cluster samples.

Astronomy & Astrophysics↗

The Palladium Isotopic Composition in Iron Meteorites

Ru, Mo and Pd are very useful indicators for the identification of nucleosynthetic components. We have developed techniques for Pd isotopes, in an effort to check the extent of isotopic effects in this mass region and for a Pt-group element which is less refractory than Ru. Stable Pd isotopes are produced by the process only (102Pd), the s-process only (104Pd), the process only (Pd-110) and by both the r- and s-processes (Pd-105, Pd-106, Pd-108). Kelly and Wasserburg reported a hint of a shift in 102Pd (approx. 25(epsilon)u; 1(epsilon)u (triple bonds) 0.01%) in Santa Clara. Earlier searches for Mo and Ru isotopic anomalies were either positive or negative.

Chen, J. H.↗

Leaf-scale carbon assimilation simulated by the multi-assumption architecture & testbed for process sensitivity analysis

Raw and processed output from the Multi-Assumption Architecture & Testbed (MAAT, https://github.com/walkeranthonyp/MAAT, tag: v1.2.1_walker2020; Walker et al., 2018). The dataset contains leaf-scale carbon assimilation data from three MAAT simulations and their post-processing and plotting scripts. Simulation 1, labelled "FvC_4proc_proc," is a four-process, process sensitivity analysis (Dai et al., 2017) of carbon assimilation based on the Farquhar et al. (1980) photosynthesis model, and its variant proposed by Collatz et al. (1991). Simulation 2, labelled "FvC_4proc_salt," is a 14 parameter sensitivity analysis (Saltelli et al., 2010) of carbon assimilation based on the Farquhar and Collatz photosynthesis models. Simulation 3, labelled "FvC," is a factorial combination of the alternative process representations and parameter values presented in those original papers across a factorial combination of incident photosynthetically active radiation (50-2000 µmol m-2 s-1, in increments of 50) and atmospheric CO2 concentration (50-1500 µmol m-2 s-1, in increments of 50). Additional scripts/functions for post-processing and plotting are part of the MAAT repository. These data were generated to evaluate and compare the Farquhar and Collatz models of leaf-scale photosynthesis across a range of CO2 and incident light conditions. Analysis of results can be found in Walker et al. (2020). This dataset is comprised of R scripts to process data and produce figures; .RDS files, a binary format specific to R and read with the 'readRDS' function, to store raw MAAT output; R and bash scripts (.bs) that help to run a MAAT simulation, .XML files that are output from MAAT describing a run, and .csv files which contain the calculated sensitivity indexes published in Walker et al. (2020).

54 ENVIRONMENTAL SCIENCES↗

Estimating pixel-level uncertainty in ocean color retrievals from MODIS

The spectral distribution of marine remote sensing reflectance, R(rs), is the fundamental measurement of ocean color science, from which a host of bio-optical and biogeochemical properties of the water column can be derived. Estimation of uncertainty in these derived properties is thus dependent on knowledge of the uncertainty in satellite-retrieved R(rs) (u(c)(R(rs))) at each pixel. Uncertainty in R(rs), in turn, is dependent on the propagation of various uncertainty sources through the R(rs) retrieval process, namely the atmospheric correction (AC). A derivative-based method for uncertainty propagation is established here to calculate the pixel-level uncertainty in R(rs), as retrieved using NASA’s multiple-scattering epsilon (MSEPS) AC algorithm and verified using Monte Carlo (MC) analysis. The approach is then applied to measurements from the Moderate Resolution Imaging Spectroradiometer (MODIS) on the Aqua satellite, with uncertainty sources including instrument random noise, instrument systematic uncertainty, and forward model uncertainty. The uc(Rrs) is verified by comparison with statistical analysis of coincident retrievals from MODIS and in situ Rrs measurements, and our approach performs well in most cases. Based on analysis of an example 8-day global products, we also show that relative uncertainty in R(rs) at blue bands has a similar spatial pattern to the derived concentration of the phytoplankton pigment chlorophyll-a (chl-a), and around 7.3%, 17.0%, and 35.2% of all clear water pixels (chl-a ≤ 0.1 mg/cu.m) with valid u(c)(R(rs)) have a relative uncertainty ≤ 5% at bands 412 nm, 443 nm, and 488 nm respectively, which is a common goal of ocean color retrievals for clear waters. While the analysis shows that u(c)(R(rs)) calculated from our derivative-based method is reasonable, some issues need further investigation, including improved knowledge of forward model uncertainty and systematic uncertainty in instrument calibration.

Pixel-level uncertainty↗

Challenges in nucleosynthesis of trans-iron elements

Nucleosynthesis beyond Fe poses additional challenges not encountered when studying astrophysical processes involving light nuclei. Astrophysical sites and conditions are not well known for some of the processes involved. On the nuclear physics side, different approaches are required, both in theory and experiment. The main differences and most important considerations are presented for a selection of nucleosynthesis processes and reactions, specifically the s-, r-, γ-, and νp-processes. Among the discussed issues are uncertainties in sites and production conditions, the difference between laboratory and stellar rates, reaction mechanisms, important transitions, thermal population of excited states, and uncertainty estimates for stellar rates. The utility and limitations of indirect experimental approaches are also addressed. The presentation should not be viewed as confining the discussed problems to the specific processes. The intention is to generally introduce the concepts and possible pitfalls along with some examples. Similar problems may apply to further astrophysical processes involving nuclei from the Fe region upward and/or at high plasma temperatures. The framework and strategies presented here are intended to aid the conception of future experimental and theoretical approaches.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Microstructure, texture and mechanical properties of AA 1060 aluminum alloy processed by cryogenic accumulative roll bonding

Highlights: • The Al sheets were accumulative roll bonded to five cycles at cryogenic temperature. • The microstructure, texture and mechanical properties of ARB sheets were investigated. • The texture evolution at surface layer was quantified by mathematical formulae. • The strength of the β fiber at center layer was affected by the initial texture and the strain. - Abstract: AA 1060 aluminum alloy sheet was processed to five accumulative roll bonding (ARB) cycles at cryogenic temperature. The microstructure, texture and mechanical properties of the ARB processed sheets were investigated. The results show that the surface layer of the ARB processed sheets exhibits a significant r-cube shear texture. Initial cube orientation at the surface layer was gradually rotated to the r-cube orientation during the ARB process, leading to the increase in the strength of the r-cube shear texture with ARB cycles. The texture evolution at the surface layer was quantified in terms of a simple relation between the texture volume fractions and accumulated true strain. The strength of the β fiber rolling texture and the distribution of orientation intensities along the β fiber at the center layer were strongly affected by the initial texture. As the ARB cycles increased, the initial texture was changed from the cube texture to the r-cube texture, leading to a continuous increase in the strength of the β fiber rolling texture dominated by the C orientation. The yield and ultimate tensile strength of the ARB processed sheets increased markedly after the first ARB cycle and then increased slowly with increasing ARB cycles, while the elongation decreased accordingly.

36 MATERIALS SCIENCE↗

Engineering and Scientific Applications: Using MatLab(Registered Trademark) for Data Processing and Visualization

MatLab(R) (MATrix LABoratory) is a numerical computation and simulation tool that is used by thousands Scientists and Engineers in many cou ntries. MatLab does purely numerical calculations, which can be used as a glorified calculator or interpreter programming language; its re al strength is in matrix manipulations. Computer algebra functionalities are achieved within the MatLab environment using "symbolic" toolbo x. This feature is similar to computer algebra programs, provided by Maple or Mathematica to calculate with mathematical equations using s ymbolic operations. MatLab in its interpreter programming language fo rm (command interface) is similar with well known programming languag es such as C/C++, support data structures and cell arrays to define c lasses in object oriented programming. As such, MatLab is equipped with most ofthe essential constructs of a higher programming language. M atLab is packaged with an editor and debugging functionality useful t o perform analysis of large MatLab programs and find errors. We belie ve there are many ways to approach real-world problems; prescribed methods to ensure foregoing solutions are incorporated in design and ana lysis of data processing and visualization can benefit engineers and scientist in gaining wider insight in actual implementation of their perspective experiments. This presentation will focus on data processing and visualizations aspects of engineering and scientific applicati ons. Specifically, it will discuss methods and techniques to perform intermediate-level data processing covering engineering and scientifi c problems. MatLab programming techniques including reading various data files formats to produce customized publication-quality graphics, importing engineering and/or scientific data, organizing data in tabu lar format, exporting data to be used by other software programs such as Microsoft Excel, data presentation and visualization will be discussed. The presentation will emphasize creating practIcal scripts (pro grams) that extend the basic features of MatLab TOPICS mclude (1) Ma trix and vector analysis and manipulations (2) Mathematical functions (3) Symbolic calculations & functions (4) Import/export data files (5) Program lOgic and flow control (6) Writing function and passing parameters (7) Test application programs

Sen, Syamal K.↗

Linking leaf dark respiration to leaf traits and reflectance spectroscopy across diverse forest types

Leaf dark respiration (R dark ), an important yet rarely quantified component of carbon cycling in forest ecosystems, is often simulated from leaf traits such as the maximum carboxylation capacity (V cmax ), leaf mass per area (LMA), nitrogen (N) and phosphorus (P) concentrations, in terrestrial biosphere models. However, the validity of these relationships across forest types remains to be thoroughly assessed. Here, in this study, we analyzed R dark variability and its associations with V cmax and other leaf traits across three temperate, subtropical and tropical forests in China, evaluating the effectiveness of leaf spectroscopy as a superior monitoring alternative. We found that leaf magnesium and calcium concentrations were more significant in explaining cross-site R dark than commonly used traits like LMA, N and P concentrations, but univariate trait–R dark relationships were always weak (r 2 ≤ 0.15) and forest-specific. Although multivariate relationships of leaf traits improved the model performance, leaf spectroscopy outperformed trait–R dark relationships, accurately predicted cross-site R dark (r 2 = 0.65) and pinpointed the factors contributing to R dark variability. Our findings reveal a few novel traits with greater cross-site scalability regarding R dark , challenging the use of empirical trait–R dark relationships in process models and emphasize the potential of leaf spectroscopy as a promising alternative for estimating R dark , which could ultimately improve process modeling of terrestrial plant respiration.

59 BASIC BIOLOGICAL SCIENCES↗

Optimization of a buncher for High Energy H- Beam Transport [Slides]

Accelerators and beam transport systems typically contain numerous beamline devices, diagnostics, system study, and upgrade. Routinely TRACE, MADX and TRANSPORT codes are used for the beam envelope prediction and optimization. Unknown problems of accelerators and beam-transport are addressed based on R&D, such as LFB voltage variation effect study. A nominal diagnostic have used in non-traditional beam transport path to address scientific question (such as use of a BPM in the air). High energy beam operation is a methodical process and routine R&D is required to maintain high standards to deliver beam.

43 PARTICLE ACCELERATORS↗