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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 433 records · Page 24

Three differential expression profiles of miRNAs as potential biomarkers for lung adenocarcinoma

Highlights: • To identify the differential miRNAs expression between lung cancer and normal tissues. • Data analysis was based on a computational approach to detect survival-associated signatures. • Three-miRNA signature could be used as a prognostic marker in LACA. Owing to the poor prognosis, novel biomarkers for lung adenocarcinoma (LACA) are needed nowadays. The aim of the study was to identify the differential miRNAs expression between lung cancer and normal tissues and evaluate the prognostic values of the miRNAs. Multidimensional data of 528 samples were retrieved from The Cancer Genome Atlas archive. Data analysis was based on a computational approach to detect survival-associated molecular signatures. A total of 191 differentially expressed miRNAs were identified between LACA tissues and normal tissues, including 88 up-regulated and 103 down-regulated miRNAs. The Kaplan-Meier survival method revealed the prognostic function of the three miRNAs (miR-1293, miR-873 and miR-1914). Cox regression analysis showed that the three-miRNA signature was an independent prognostic factor in LACA. The functional enrichment analysis suggested that the target genes of three miRNAs may be involved in various pathways related to the cancer. This study demonstrated that the three-miRNA signature (miR-1293, miR-873 and miR-1914) could be used as a prognostic marker in LACA.

60 APPLIED LIFE SCIENCES↗

Structural and Functional Characterization of a Short-Chain Flavodoxin Associated with a Noncanonical 1,2-Propanediol Utilization Bacterial Microcompartment

Bacterial microcompartments (BMCs) are proteinaceous organelles that encapsulate enzymes involved in CO 2 fixation (carboxysomes). or carbon catabolism (metabolosomes). Metabolosomes share a common core of enzymes and a distinct signature enzyme for substrate degradation that defines the function of the BMC (e,g., propanediol or ethanolamine utilization BMCs, or glycyl-radical enzyme microcompartments). Loci encoding metabolosomes also typically contain genes for proteins that support organelle function, such as regulation, transport of substrate, and cofactor (e.g., vitamin B-12) synthesis and recycling. Flavoproteins are frequently among these ancillary gene products, suggesting that these redox active proteins play an undetermined function in many metabolosomes. Here in this paper, we report the first characterization of a BMC-associated flavodoxin (Fld1C), a small flavoprotein, derived from the noncanonical 1,2-propanediol utilization BMC locus (PDU1C) of Lactobacillus reuteri. The 2.0 angstrom X-ray structure of Fld1C displays the alpha/beta flavodoxin fold, which noncovalently binds a single flavin mononucleotide molecule. Fld1C is a short-chain flavodoxin with redox potentials of -240 +/- 3 mV oxidized/semiquinone and -344 +/- 1 mV semiquinone/hydroquinone versus the standard hydrogen electrode at pH 7.5. It can participate in an electron transfer reaction with a photoreductant to form a stable semiquinone species. Collectively, our structural and functional results suggest that PDU1C BMCs encapsulate Fld1C to store and transfer electrons for the reactivation and/or recycling of the B 12 cofactor utilized by the signature enzyme.

59 BASIC BIOLOGICAL SCIENCES↗

Fabry-Perot cavity resonance enabling highly polarization-sensitive double-layer gold grating

We present experimental and theoretical investigations on the polarization properties of a single- and a double-layer gold (Au) grating, serving as a wire grid polarizer. Two layers of Au gratings form a cavity that effectively modulates the transmission and reflection of linearly polarized light. Theoretical calculations based on a transfer matrix method reveals that the double-layer Au grating structure creates an optical cavity exhibiting Fabry-Perot (FP) resonance modes. As compared to a single-layer grating, the FP cavity resonance modes of the double-layer grating significantly enhance the transmission of the transverse magnetic (TM) mode, while suppressing the transmission of the transverse electric (TE) mode. As a result, the extinction ratio of TM to TE transmission for the double-layer grating structure is improved by a factor of approximately 8 in the mid-wave infrared region of 3.4–6 μm. Furthermore, excellent infrared imagery is obtained with over a 600% increase in the ratio of the TM-output voltage (V θ = 0° ) to TE-output voltage (V θ = 90° ). Furthermore, this double-layer Au grating structure has great potential for use in polarimetric imaging applications due to its superior ability to resolve linear polarization signatures.

36 MATERIALS SCIENCE↗

Bogoliubov Fermi surfaces in spin-$\frac{1}{2}$ systems: Model Hamiltonians and experimental consequences

Bogoliubov Fermi surfaces (BFSs) are topologically protected regions of zero energy excitations in a superconductor whose dimension equals that of the underlying normal state Fermi surface. Examples of Hamiltonians exhibiting this “ultranodal” phase are known to preserve charge-conjugation ($\textit{C}$) and parity ($\textit{P}$) but break time-reversal ($\textit{T}$). In this work, we provide examples of model Hamiltonians that do not necessarily preserve this symmetry pattern but have well-defined sign-changing Pfaffians yielding BFSs. While their topological character has not been recognized previously, some of the models we present have been extensively studied in prior literature. Here, we further examine thermodynamic and electronic properties arising from the ultranodal state. In particular, we study the effect of a weak Zeeman field close to the topological transition and propose distinguishing features of BFSs using residual specific heat and tunneling conductance. Our calculation of the superfluid density in a toy multiband model indicates a window of interband pairing strength where BFSs are stable with a positive superfluid density. We also present additional signatures of BFSs in spin-polarized spectral weight and total magnetization measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ultraviolet optical properties of aluminum fluoride thin films deposited by atomic layer deposition

Aluminum fluoride (AlF{sub 3}) is a low refractive index material with promising optical applications for ultraviolet (UV) wavelengths. An atomic layer deposition process using trimethylaluminum and anhydrous hydrogen fluoride has been developed for the deposition of AlF{sub 3} at substrate temperatures between 100 and 200 °C. This low temperature process has resulted in thin films with UV-optical properties that have been characterized by ellipsometric and reflection/transmission measurements at wavelengths down to 200 nm. The optical loss for 93 nm thick films deposited at 100 °C was measured to be less than 0.2% from visible wavelengths down to 200 nm, and additional microstructural characterization demonstrates that the films are amorphous with moderate tensile stress of 42–105 MPa as deposited on silicon substrates. X-ray photoelectron spectroscopy analysis shows no signature of residual aluminum oxide components making these films good candidates for a variety of applications at even shorter UV wavelengths.

36 MATERIALS SCIENCE↗

A New Method for Ice-Ice Aggregation in the Adaptive Habit Model

In this paper, a novel methodology for modeling ice-ice aggregation is presented. This methodology combines a modified hydrodynamic collection algorithm with bulk aggregate characteristic information from an offline simulator that collects ice particles, namely, the Ice Particle and Aggregate Simulator, and has been implemented into the Adaptive Habit Microphysics scheme in the Weather Research and Forecasting Model. Aggregates, or snow, are formed via collection of cloud ice particles, where initial ice characteristics and the resulting geometry determine aggregate characteristics. Upon implementation, idealized squall-line simulations are performed to examine the new methodology in comparison with commonly used bulk microphysics schemes. It is found that the adaptive habit aggregation parameterization develops snow and reduces ice mass and number concentrations compared to other schemes. The development of aggregates through the new methodology cascades into other interesting effects, including enhancements in ice and snow growth, as well as homogeneous freezing. Further microphysical analyses reveal varying sensitivities, where snow processes are most sensitive to the new parameterization, followed by ice, then cloud, rain, and graupel processes. Further, the new scheme results in enhancements in surface precipitation due to the persistence of snow at lower altitudes. This persistence is a result of shape-dependent melting and sublimation, increasing the residence time. Moreover, these low-level enhancements are reflected in increases in radar reflectivity at the surface and its spatial distribution. Finally, the ability to predict snow shape and density allows for the simulation of polarimetric radar quantities, resulting in signature enhancements compared to schemes that do not consider spatial and temporal variations in snow shape and density.

54 ENVIRONMENTAL SCIENCES↗

Promoter analysis reveals globally differential regulation of human long non-coding RNA and protein-coding genes

Transcriptional regulation of protein-coding genes is increasingly well-understood on a global scale, yet no comparable information exists for long non-coding RNA (lncRNA) genes, which were recently recognized to be as numerous as protein-coding genes in mammalian genomes. We performed a genome-wide comparative analysis of the promoters of human lncRNA and protein-coding genes, finding global differences in specific genetic and epigenetic features relevant to transcriptional regulation. These two groups of genes are hence subject to separate transcriptional regulatory programs, including distinct transcription factor (TF) proteins that significantly favor lncRNA, rather than coding-gene, promoters. We report a specific signature of promoter-proximal transcriptional regulation of lncRNA genes, including several distinct transcription factor binding sites (TFBS). Experimental DNase I hypersensitive site profiles are consistent with active configurations of these lncRNA TFBS sets in diverse human cell types. TFBS ChIP-seq datasets confirm the binding events that we predicted using computational approaches for a subset of factors. For several TFs known to be directly regulated by lncRNAs, we find that their putative TFBSs are enriched at lncRNA promoters, suggesting that the TFs and the lncRNAs may participate in a bidirectional feedback loop regulatory network. Accordingly, cells may be able to modulate lncRNA expression levels independently of mRNA levels via distinct regulatory pathways. Our results also raise the possibility that, given the historical reliance on protein-coding gene catalogs to define the chromatin states of active promoters, a revision of these chromatin signature profiles to incorporate expressed lncRNA genes is warranted in the future.

59 BASIC BIOLOGICAL SCIENCES↗

Application of Fireworks Algorithm in Gamma-Ray Spectrum Fitting for Radioisotope Identification

We present that identification of radioisotopic signature patterns in gamma-ray spectra is of paramount importance in various applications of gamma spectroscopy. Therefore, there are several active research efforts to develop accurate and precise methods to perform automated spectroscopic analysis and subsequently recognize gamma-ray signatures. In this work, the authors present a new method for radioisotope identification in gamma-ray spectra obtained with a low resolution radiation detector. The method fits the obtained spectrum with a linear combina-tion of known template signature patterns. Coefficients of the linear combination are evaluated by computing the solution of a single objective optimization problem, whose objective is the Theil-1 inequality coefficient. Optimization of the problem is performed by the Fireworks Algorithm, which identifies a set of coefficients that minimize the Theil-1 value. The computed coefficients are statistically tested for being significantly different than zero or not, and if at least one is found to be zero then the Fireworks Algorithm is used to reiterate fitting using the non-zero templates. Fitting iterations are continued up to the point that no linear coefficients are found to be zero. The output of the method is a list that contains the radioisotopes that have been identified in the measured spectrum. The method is tested on a set of both simulated and real experimental gamma-ray spectra comprised of a variety of isotopes, and compared to a multiple linear regression fitting, and genetic algorithm Theil-1 based fitting. Finally, results demonstrate the potentiality of the Fireworks Algorithm based method, expressed as higher accuracy and similar precision over the other two tested methodologies for radioisotope signature pattern identification in the framework of gamma-ray spectrum fitting.

Theil Coefficient↗

CINT 2020 Strategic Plan

CINT’s role is to enable world-leading science towards realizing these benefits and our strategic objectives describe what is needed to deliver on this promise. As a vibrant partnership between Los Alamos National Laboratory (LANL) and Sandia National Laboratories (SNL), CINT leverages the unmatched scientific and engineering expertise of our host DOE Laboratories in an Office of Science open-access user facility to benefit hundreds of researchers annually. We have world-leading scientific expertise in four thrust areas, as described in section 1, and specialized capabilities to create, characterize and understand nanomaterials in increasingly complex integrated environments. Building upon these current strengths, we identify some of the capabilities and expertise that the nanoscience community will need in the future and that CINT is well positioned to develop and offer as a user facility. These include an expanding portfolio of our signature Discovery Platforms that can be used alone or as sophisticated “experiments within an experiment”; novel synthetic approaches for exquisitely heterostructured nanowires, nanoparticles and quasi-two-dimensional materials; ultra-high resolution spectroscopic techniques of nanomaterial dynamics; in situ microscopies that provide realtime, spatially-resolved structure/property information for increasingly complex materials systems; advanced simulation techniques for integrated nanomaterials; and multi-scale theory for interfaces and dynamics.

36 MATERIALS SCIENCE↗

Mission Oriented Support and Theory (MOST) for MMS -- The Goddard Space Flight Center/University of California Los Angeles Interdisciplinary Science Program

The MOST IDS team was tasked with focusing on two general areas: The first was to participate with the Fast Plasma Investigation (FPI) team in the development of virtual detectors that model the instrument responses of the MMS FPI sensors. The virtual instruments can be 'flown through' both simulation data (from magnetohydrodynamic, hybrid, and kinetic simulations) and Cluster and THEMIS spacecraft data. The goal is to determine signatures of magnetic reconnection expected during the MMS mission. Such signatures can serve as triggers for selection of burst mode downloads. The chapter contributed by the FPI team covers that effort in detail and, therefore, most of that work has not been included here. The second area of emphasis, and the one detailed in this chapter, was to build on past and present knowledge of magnetic reconnection and its physical signatures. Below we describe intensive analyses of Cluster and THEMIS data together with theoretical models and simulations that delineate the plasma signatures that surround sites of reconnection, including the effects of turbulence as well as the detailed kinetic signatures that indicate proximity to reconnection sites. In particular, we point out that particles are energized in several regions, not only at the actual site of reconnection.

Goldstein, Melvyn L.↗

Change Detection Applications in the Earth Sciences Using UAS-Based Sensing: A Review and Future Opportunities

Over the past decade, advancements in collection platforms such as unoccupied aerial systems (UAS), survey-grade GNSS, sensor packages, processing software, and spatial analytical tools have facilitated change detection analyses at an unprecedented resolution over broader spatial and temporal extents and in environments where such investigations present challenges. These technological improvements, coupled with the accessibility and versatility of UAS technology, have pushed the boundaries of spatial and temporal scales in geomorphic change detection. As a result, the cm-scale analysis of topographic signatures can detect and quantify surface anomalies during geomorphic evolution. This review focuses on the use of UAS photogrammetry for fine spatial (cm) and temporal (hours to days) scale geomorphic analyses, and it highlights analytical approaches to detect and quantify surface processes that were previously elusive. The review provides insight into topographic change characterization with precise spatial validations applied to landscape processes in various fields, such as the cryosphere and geosphere, as well as anthropogenic earth processes and national security applications. This work sheds light on previously unexplored aspects of both natural and human-engineered environments, demonstrating the potential of UAS observations in change detection. Our discussion examines the emerging horizons of UAS-based change detection, including machine learning and LIDAR systems. In addition, our meta-analysis of spatial and temporal UAS-based observations highlights the new fine-scale niche of UAS-photogrammetry. This scale advancement sets a new frontier in change detection, offering exciting possibilities for the future of land surface analysis and environmental monitoring in the field of Earth Science.

Andresen, Christian G.↗

Volume I. Introduction to DUNE

The preponderance of matter over antimatter in the early universe, the dynamics of the supernovae that produced the heavy elements necessary for life, and whether protons eventually decay -- these mysteries at the forefront of particle physics and astrophysics are key to understanding the early evolution of our universe, its current state, and its eventual fate. The Deep Underground Neutrino Experiment (DUNE) is an international world-class experiment dedicated to addressing these questions as it searches for leptonic charge-parity symmetry violation, stands ready to capture supernova neutrino bursts, and seeks to observe nucleon decay as a signature of a grand unified theory underlying the standard model. The DUNE far detector technical design report (TDR) describes the DUNE physics program and the technical designs of the single- and dual-phase DUNE liquid argon TPC far detector modules. This TDR is intended to justify the technical choices for the far detector that flow down from the high-level physics goals through requirements at all levels of the Project. Volume I contains an executive summary that introduces the DUNE science program, the far detector and the strategy for its modular designs, and the organization and management of the Project. The remainder of Volume I provides more detail on the science program that drives the choice of detector technologies and on the technologies themselves. It also introduces the designs for the DUNE near detector and the DUNE computing model, for which DUNE is planning design reports. Volume II of this TDR describes DUNE's physics program in detail. Volume III describes the technical coordination required for the far detector design, construction, installation, and integration, and its organizational structure. Volume IV describes the single-phase far detector technology. A planned Volume V will describe the dual-phase technology.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Probing the early Milky Way with GHOST spectra of an extremely metal-poor star in the Galactic disc

ABSTRACT Pristine_183.6849 + 04.8619 (P1836849) is an extremely metal-poor ([Fe/H] = −3.3 ± 0.1) star on a prograde orbit confined to the Galactic disc. Such stars are rare and may have their origins in protogalactic fragments that formed the early Milky Way, in low-mass satellites accreted later, or forming in situ in the Galactic plane. Here, we present a chemo-dynamical analysis of the spectral features between 3700−11 000 Å from a high-resolution spectrum taken during Science Verification of the new Gemini High-resolution Optical SpecTrograph. Spectral features for many chemical elements are analysed (Mg, Al, Si, Ca, Sc, Ti, Cr, Mn, Fe, Ni), and valuable upper limits are determined for others (C, Na, Sr, Ba). This main sequence star exhibits several rare chemical signatures, including (i) extremely low metallicity for a star in the Galactic disc, (ii) very low abundances of the light α-elements (Na, Mg, Si) compared to other metal-poor stars, and (iii) unusually large abundances of Cr and Mn, where [Cr, Mn/Fe]NLTE > +0.5. A comparison to theoretical yields from supernova models suggests that two low-mass Population III objects (one 10 M⊙ supernova and one 17 M⊙ hypernova) can reproduce the abundance pattern well (reduced χ2 < 1). When this star is compared to other extremely metal-poor stars on quasi-circular, prograde planar orbits, differences in both chemistry and kinematics imply there is little evidence for a common origin. The unique chemistry of P1836849 is discussed in terms of the earliest stages in the formation of the Milky Way.

Dovgal, Anya↗

Ion Mobility Spectrometry - High Resolution LTQ-Orbitrap Mass Spectrometry for Analysis of Homemade Explosives

The detailed chemical characterization of homemade explosives (HMEs) and other chemicals that can mimic or mask the presence of explosives is important for understanding and improving the performance of commercial instrumentation used for explosive detection. To that end, an atmospheric-pressure drift tube ion mobility spectrometry (IMS) instrument has been successfully coupled to a commercial tandem mass spectrometry (MS) system. The tandem MS system is comprised of a linear ion trap and a high resolution Orbitrap analyzer. This IMS-MS combination allows extensive characterization of threat chemical compounds, including HMEs, and complex real-world background chemicals that can interfere with detection. Here, the composition of ion species originating from a specific HME, erythritol tetranitrate, has been elucidated using accurate mass measurements, isotopic ratios, and tandem MS. Gated IMS-MS and high-resolution MS have been used to identify minor impurities that can be indicative of the HME source and/or synthesis route. Comparison between data obtained on the IMS/MS system and on commercial stand-alone IMS instruments used as explosive trace detectors (ETDs) has also been performed. Such analysis allows better signature assignments of threat compounds, modified detection algorithms, and improved overall ETD performance. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Clock-like mutational processes in human somatic cells

During the course of a lifetime, somatic cells acquire mutations. Different mutational processes may contribute to the mutations accumulated in a cell, with each imprinting a mutational signature on the cell's genome. Some processes generate mutations throughout life at a constant rate in all individuals, and the number of mutations in a cell attributable to these processes will be proportional to the chronological age of the person. Using mutations from 10,250 cancer genomes across 36 cancer types, we investigated clock-like mutational processes that have been operating in normal human cells. Two mutational signatures show clock-like properties. Both exhibit different mutation rates in different tissues. However, their mutation rates are not correlated, indicating that the underlying processes are subject to different biological influences. For one signature, the rate of cell division may influence its mutation rate. This paper provides the first survey of clock-like mutational processes operating in human somatic cells.

59 BASIC BIOLOGICAL SCIENCES↗

Radiation exposure induces cross-species temporal metabolic changes that are mitigated in mice by amifostine

Exposure to acute, damaging radiation may occur through a variety of events from cancer therapy and industrial accidents to terrorist attacks and military actions. Our understanding of how to protect individuals and mitigate the effects of radiation injury or Acute Radiation Syndrome (ARS) is still limited. There are only a few Food and Drug Administration-approved therapies for ARS; whereas, amifostine is limited to treating low dose (0.7–6 Gy) radiation poisoning arising from cancer radiotherapy. An early intervention is critical to treat ARS, which necessitates identifying diagnostic biomarkers to quickly characterize radiation exposure. Towards this end, a multiplatform metabolomics study was performed to comprehensively characterize the temporal changes in metabolite levels from mice and non-human primate serum samples following γ-irradiation. The metabolomic signature of amifostine was also evaluated in mice as a model for radioprotection. The NMR and mass spectrometry metabolomics analysis identified 23 dysregulated pathways resulting from the radiation exposure. These metabolomic alterations exhibited distinct trajectories within glucose metabolism, phospholipid biosynthesis, and nucleotide metabolism. A return to baseline levels with amifostine treatment occurred for these pathways within a week of radiation exposure. Together, our data suggests a unique physiological change that is independent of radiation dose or species. Furthermore, a metabolic signature of radioprotection was observed through the use of amifostine prophylaxis of ARS.

59 BASIC BIOLOGICAL SCIENCES↗