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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 1,441 records · Page 80

Applications of LIF to Document Natural Variability of Chlorophyll Content and Cu Uptake in Moss

Chlorophyll has long been used as a natural indicator of plant health and photosynthetic efficiency. Laser-induced fluorescence (LIF) is an emerging technique for understanding broad spectrum organic processes and has more recently been used to monitor chlorophyll response in plants. Previous work has focused on developing a LIF technique for imaging moss mats to identify metal contamination with the current focus shifting toward application to moss fronds and aiding sample collection for chemical analysis. Two laser systems (CoCoBi a Nd:YGa pulsed laser system and Chl-SL with two blue continuous semiconductor diodes) were used to collect images of moss fronds exposed to increasing levels of Cu (1, 10, and 100 nmol/cm 2 ) using a CMOS camera. The best methods for the preprocessing of images were conducted before the analysis of fluorescence signatures were compared to a control. The Chl-SL system performed better than the CoCoBi, with dynamic time warping (DTW) proving the most effective for image analysis. Manual thresholding to remove lower decimal code values improved the data distributions and proved whether using one or two fronds in an image was more advantageous. A higher DTW difference from the control correlated to lower chlorophyll a/b ratios and a higher metal content, indicating that LIF, with the aid of image processing, can be an effective technique for identifying Cu contamination shortly after an event.

59 BASIC BIOLOGICAL SCIENCES↗

A Search for Signs of Life and Habitability on Europa

Europa is a key target in the search for life beyond the Earth because of consistent evidence that below the icy surface there is liquid water. Future missions to Europa could confirm the presence and nature of the ocean and determine the thickness of the ice layer. Confirming the presence of an ocean and determining the habitability of Europa are key astrobiology science objectives. Nevertheless, the highest priority objective for astrobiology will be a search for life. How could a search for life be accomplished on a near-term mission given the thick ice cover? One answer may lie in the surface materials. If Europa has an ocean, and if that ocean contains life, and if water from the ocean is carried up to the surface, then signs of life may be contained in organic material on the surface. Organics that derive from biological processes (dead organisms) are distinct from organics derived from non-biological processes in several aspects. First, biology is selective and specific in its use of molecules. For example, Earth life uses 20 left-handed amino acids. Second, biology can leave characteristic isotopic patterns. Third, biology often produces large complex molecules in high concentrations, for example lipids. Organic material that has been on the surface of Europa for long periods of time would be reprocessed by the strong radiation field probably erasing any signature of biological origin. Evidence of life in the ocean may be found on the surface of Europa if regions of the surface contained relatively recent material carried up from the ocean through cracks in the icy lithosphere. But organic material that has been on the surface of Europa for long periods of time would be reprocessed by the strong radiation field probably erasing any signature of biological origin. Thus, the detailed analysis required may not be possible via remote sensing but direct sampling of the material below the radiation processed upper meter is probably required.

Fonda, Mark↗

A Drilling Mission to Search for Biosignatures of Life on Mars Simulated in Atacama Chile

Missions to search for evidence of life on Mars, including Mars Science Laboratory(MSL)are using drilling systems to get beneath the high oxidized and radiated surface where biomolecules may be preserved. MSL drill holes show that even at shallow depth the subsurface is more reduced and therefor more likely to preserve biosignatures. Analysis of these reduced materials yielded the first detection of organic carbon compounds on Mars[1].While MSL was capable of drilling only 10 cm, the ExoMars mission now planned for a 2022 launch will feature a rover carrying a 2 m drill, motivated by desire to penetrate beneath the irradiated surface. The Atacama Rover Astrobiology Drilling Studies(ARADS)was a PSTAR project that used flight prototype technologies in a highly relevant Mars analog site, together with related scientific studies, to better understand how to best search for life on Mars. ARADS field work was performed in Atacama Chile and featured a rover-mounted 1.2m auguring drill to acquire subsurface samples that were analyzed with flight prototype instruments designed to search for chemical signatures of life.

C R Stoker↗

Room-temperature ferromagnetism of Fe-doped TiO{sub 2} nanoparticles driven by oxygen vacancy

Graphical abstract: A series of Ti{sub 1−x}Fe{sub x}O{sub 2−δ} (x ≤ 0.03) nanoparticles (NPs) were synthesized by sol–gel route. The room temperature ferromagnetism (RTFM) has been explained in terms of vacancy induced bound magnetic polaron (BMP) model, where the Fe{sup 3+} ions ferromagnetically coupled mediated by oxygen vacancies. Display Omitted Highlights: ► The Fe-doped NPs have been synthesized by sol–gel method. ► Ferromagnetism of Fe-doped TiO{sub 2} NPs are intrinsic property. ► Room temperature ferromagnetism observed in all the Fe-doped samples. ► Variation in M{sub s} is attributed due to oxygen vacancies and defect formation. -- Abstract: A series of Ti{sub 1−x}Fe{sub x}O{sub 2−δ} (0 ≤ x ≤ 0.03) nanoparticles (NPs) were synthesized by sol–gel route. The NPs had a size distribution in the range of 15–40 nm and were identified as the anatase TiO{sub 2} by X-ray diffraction (XRD) and Raman analysis. XRD, selected area electron diffraction, Raman and Mössbauer analysis ruled out the signature of Fe-cluster or any other oxides of Fe. The redshifting of the band edge emission peak observed in UV–vis absorption studies further confirmed the doping of Fe ions in the TiO{sub 2} lattice. Raman studies show the shifting and broadening in E{sub g}(1) and E{sub g}(3) modes with Fe doping. It suggested that the activation of ferromagnetism with increasing Fe doping concentration was related to the oxygen vacancy defects. The presence of such defects was further confirmed from electron paramagnetic resonance (EPR) measurements. The observed ferromagnetism is interpreted in terms of bound magnetic polaron (BMP) model.

36 MATERIALS SCIENCE↗

Aqueous Cation-Amide Binding: Free Energies and IR Spectral Signatures by Ab Initio Molecular Dynamics

Understanding specific ion effects on proteins remains a considerable challenge. N-methylacetamide serves as a useful proxy for the protein backbone that can be well characterized both experimentally and theoretically. The spectroscopic signatures in the amide I band reflecting the strength of the interaction of alkali cations and alkali earth dications with the carbonyl group remain difficult to assign and controversial to interpret. Herein, we directly compute the IR shifts corresponding to the binding of either sodium or calcium to aqueous N-methylacetamide using ab initio molecular dynamics simulations. We show that the two cations interact with aqueous N-methylacetamide with different affinities and in different geometries. Since sodium exhibits a weak interaction with the carbonyl group, the resulting amide I band is similar to an unperturbed carbonyl group undergoing aqueous solvation. In contrast, the stronger calcium binding results in a clear IR shift with respect to N-methylacetamide in pure water. Support from the Czech Ministry of Education (grant LH12001) is gratefully acknowledged. EP thanks the International Max-Planck Research School for support and the Alternative Sponsored Fellowship program at Pacific Northwest National Laboratory (PNNL). PJ acknowledges the Praemium Academie award from the Academy of Sciences. Calculations of the free energy profiles were made possible through generous allocation of computer time from the North-German Supercomputing Alliance (HLRN). Calculations of vibrational spectra were performed in part using the computational resources in the National Energy Research Supercomputing Center (NERSC) at Lawrence Berkeley National Laboratory. This work was supported by National Science Foundation grant CHE-0431312. CJM is supported by the U.S. Department of Energy`s (DOE) Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. PNNL is operated for the Department of Energy by Battelle. MDB is grateful for the support of the Linus Pauling Distinguished Postdoctoral Fellowship Program at PNNL.

calcium↗

Infrared-pump electronic-probe of methylammonium lead iodide reveals electronically decoupled organic and inorganic sublattices

Organic-inorganic hybrid perovskites such as methylammonium lead iodide (CH 3 NH 3 PbI 3 ) are game-changing semiconductors for solar cells and light-emitting devices owing to their defect tolerance and exceptionally long carrier lifetimes and diffusion lengths. Determining whether the dynamically disordered organic cations with large dipole moment benefit the optoelectronic properties of CH 3 NH 3 PbI 3 has been an outstanding challenge. Herein, via transient absorption measurements employing an infrared pump pulse tuned to a methylammonium vibration, we observe slow, nanosecond-long thermal dissipation from the selectively excited organic mode to the inorganic sublattice. The resulting transient electronic signatures, during the period of thermal-nonequilibrium when the induced thermal motions are mostly concentrated on the organic sublattice, reveal that the induced atomic motions of the organic cations do not alter the absorption or the photoluminescence response of CH 3 NH 3 PbI 3 , beyond thermal effects. Our results suggest that the attractive optoelectronic properties of CH 3 NH 3 PbI 3 mainly derive from the inorganic lead-halide framework.

36 MATERIALS SCIENCE↗

Tuning of the electronic and vibrational properties of epitaxial MoS 2 through He-ion beam modification

Abstract Atomically thin transition metal dichalcogenides (TMDs), like MoS 2 with high carrier mobilities and tunable electron dispersions, are unique active material candidates for next generation opto-electronic devices. Previous studies on ion irradiation show great potential applications when applied to two-dimensional (2D) materials, yet have been limited to micron size exfoliated flakes or smaller. To demonstrate the scalability of this method for industrial applications, we report the application of relatively low power (50 keV) 4 He + ion irradiation towards tuning the optoelectronic properties of an epitaxially grown continuous film of MoS 2 at the wafer scale, and demonstrate that precise manipulation of atomistic defects can be achieved in TMD films using ion implanters. The effect of 4 He + ion fluence on the PL and Raman signatures of the irradiated film provides new insights into the type and concentration of defects formed in the MoS 2 lattice, which are quantified through ion beam analysis. PL and Raman spectroscopy indicate that point defects are generated without causing disruption to the underlying lattice structure of the 2D films and hence, this technique can prove to be an effective way to achieve defect-mediated control over the opto-electronic properties of MoS 2 and other 2D materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

PROSPECTS FOR THE DETECTION OF FAST RADIO BURSTS WITH THE MURCHISON WIDEFIELD ARRAY

Fast radio bursts (FRBs) are short timescale (<<1 s) astrophysical radio signals, presumed to be a signature of cataclysmic events of extragalactic origin. The discovery of six high-redshift events at ∼1400 MHz from the Parkes radio telescope suggests that FRBs may occur at a high rate across the sky. The Murchison Widefield Array (MWA) operates at low radio frequencies (80-300 MHz) and is expected to detect FRBs due to its large collecting area (∼2500 m{sup 2}) and wide field-of-view (FOV, ∼ 1000 deg{sup 2} at ν = 200 MHz). We compute the expected number of FRB detections for the MWA assuming a source population consistent with the reported detections. Our formalism properly accounts for the frequency-dependence of the antenna primary beam, the MWA system temperature, and unknown spectral index of the source population, for three modes of FRB detection: coherent; incoherent; and fast imaging. We find that the MWA's sensitivity and large FOV combine to provide the expectation of multiple detectable events per week in all modes, potentially making it an excellent high time resolution science instrument. Deviations of the expected number of detections from actual results will provide a strong constraint on the assumptions made for the underlying source population and intervening plasma distribution.

79 ASTRONOMY AND ASTROPHYSICS↗

High-throughput single-cell sorting by stimulated Raman-activated cell ejection

Raman-activated cell sorting isolates single cells in a nondestructive and label-free manner, but its throughput is limited by small spontaneous Raman scattering cross section. Coherent Raman scattering integrated with microfluidics enables high-throughput cell analysis, but faces challenges with small cells (<3 μm) and tissue sections. Here, we report stimulated Raman-activated cell ejection (S-RACE) that enables high-throughput single-cell sorting by integrating stimulated Raman imaging, in situ image decomposition, and laser-induced cell ejection. S-RACE allows ejection of live bacteria or fungi guided by their Raman signatures. Furthermore, S-RACE successfully sorted lipid-richRhodotorula glutiniscells from a cell mixture with a throughput of ~13 cells per second, and the sorting results were confirmed by downstream quantitative polymerase chain reaction. Beyond single cells, S-RACE shows high compatibility with tissue sections. Incorporating a closed-loop feedback control circuit further enables real-time SRS imaging-identification-ejection. In summary, S-RACE opens exciting opportunities for diverse single-cell sorting applications.

Science & Technology - Other Topics↗

Detection of Head and Neck Cancer Based on Longitudinal Changes in Serum Protein Abundance

Head and Neck Squamous Cell Carcinoma (HNSCC) is significantly represented in the military population with substantial impact on military operations. Two-thirds of new HNSCC cases are first diagnosed at advanced stage III or IV with lymph node metastases. Thus, there is an urgent need of biomarkers for early detection and risk stratification. Archived serum samples from the Department of Defense Serum Repository provide a unique resource for longitudinal studies of HNSCC in the military and the identification of early detection biomarkers. Methods: We identified 175 patients diagnosed with HNSCC with 175 matched healthy controls and retrieved a total of 978 serum samples drawn at the time of diagnosis, 2 and 4 years prior to diagnosis, and 2 years after diagnosis. Following immunoaffinity depletion, serum samples were analyzed by targeted proteomics assays for multiplexed quantification of a panel of 146 candidate protein biomarkers from the curated literature. Results: We derived a 13-protein signature that distinguishes case versus controls based on longitudinal changes in serum protein concentration. The abundances of each of the 13 proteins remain constant over time in control subjects. The area under the curve for the derived random forest classifier was 0.90. Conclusions: This 13-protein classifier is highly promising for detection of HNSCC prior to overt symptoms. Impact: Use of longitudinal samples has significant potential to identify biomarkers for detection and risk stratification.

59 BASIC BIOLOGICAL SCIENCES↗

Regulation-Structured Dynamic Metabolic Model Provides a Potential Mechanism for Delayed Enzyme Response in Denitrification Process

In a recent study of denitrification dynamics in hyporheic zone sediments, we observed a significant time lag (up to several days) in enzymatic response to the changes in substrate concentration. To explore an underlying mechanism and understand the interactive dynamics between enzymes and nutrients, we developed a trait-based model that associates a community’s traits with functional enzymes, instead of typically used species guilds (or functional guilds). This enzyme-based formulation allows to collectively describe biogeochemical functions of microbial communities without directly parameterizing the dynamics of species guilds, therefore being scalable to complex communities. As a key component of modeling, we accounted for microbial regulation occurring through transcriptional and translational processes, the dynamics of which was parameterized based on the temporal profiles of enzyme concentrations measured using a new signature peptide-based method. The simulation results using the resulting model showed several days of a time lag in enzymatic responses as observed in experiments. Further, the model showed that the delayed enzymatic reactions could be primarily controlled by transcriptional responses and that the dynamics of transcripts and enzymes are closely correlated. The developed model can serve as a useful tool for predicting biogeochemical processes in natural environments, either independently or through integration with hydrologic flow simulators.

trait-based modeling↗

SACRADV-QVP

SACR-ADV-QVP provides a quasi-vertical representation of azimuthally averaged polarimetric variables to reveal important signatures in ice and mixed-phase clouds. SACR-ADV-QVP is produced using a sequence of plan-position-indicator (PPI) scans, which typically covers 3 different elevation angles and is repeated every 30 minutes. The scientific basis of the algorithm is described in Ryzhkov et al. (2016). The SACR2CORR VAP generates the main inputs of this VAP. They include corrected reflectivity, differential reflectivity, spectrum width, differential phase, linear depolarization ratio, and correlation coefficient. This VAP outputs a daily NetCDF file containing quasi-vertical profiles of all aforementioned polarimetric variables every time the PPI scan strategy is performed (this could result an irregular time stamp).

54 ENVIRONMENTAL SCIENCES↗

Building a virtual planet

The virtual Planetary Laboratory (VPL) is a recently funded 5-yr project, which seeks toimprove our understanding of the range of plausible environments and the likely signatures for life on extrasolar terrestrial planets. To achieve these goals we are developing a suite of innovative modeling tools to simulate the environments and spectra of extrasolar planets. The core of the VPL IS a coupled radiative transfer/climate/chemistry model, which is augmented by interchangeable modules which characterize geological, exogenic, atmospheric escape, and life processes. The VPL is validated using data derived from terrestrial planets within our own solar system. The VPL will be used to explore the plausible range of atmospheric composittions and globally averaged spectra for extrasolar planets and for early Earth, and will improve our understanding of the effect of life on a planet's atmospheric spectrum and composition. The models will also be used to create a comprehensive spectral catalog to provide recommendations on the optimum wavelength range, spectral resolution, and instrument sensitivity required to characterize extrasolar terrestrial planets. Although developed by our team, the VPL is envisioned to be a comprehensive and flexible tool, which can be collaboratively used by the broader planetary science and astrobiology communities. This presentation will describe the project concept, the tasks involved, and will outline current progress to date. This work is funded by the NASA Astrobiology Institute.

astrobiology↗

The Physics and Nuclear Nonproliferation Goals of WATCHMAN: A WAter CHerenkov Monitor for ANtineutrinos

Herein, this article describes the physics and nonproliferation goals of WATCHMAN, the WAter Cherenkov Monitor for ANtineutrinos. The baseline WATCHMAN design is a kiloton scale gadolinium-doped (Gd) light water Cherenkov detector, placed 13 kilometers from a civil nuclear reactor in the United States. In its first deployment phase, WATCHMAN will be used to remotely detect a change in the operational status of the reactor, providing a first- ever demonstration of the potential of large Gd-doped water detectors for remote reactor monitoring for future international nuclear nonproliferation applications. During its first phase, the detector will provide a critical large-scale test of the ability to tag neutrons and thus distinguish low energy electron neutrinos and antineutrinos. This would make WATCHMAN the only detector capable of providing both direction and flavor identification of supernova neutrinos. It would also be the third largest supernova detector, and the largest underground in the western hemisphere. In a follow-on phase incorporating the IsoDAR neutrino beam, the detector would have world-class sensitivity to sterile neutrino signatures and to non-standard electroweak interactions (NSI). WATCHMAN will also be a major, U.S. based integration platform for a host of technologies relevant for the Long-Baseline Neutrino Facility (LBNF) and other future large detectors. This white paper describes the WATCHMAN conceptual design,and presents the results of detailed simulations of sensitivity for the project's nonproliferation and physics goals. Furthermore, it describes the advanced technologies to be used in WATCHMAN, including high quantum efficiency photomultipliers, Water-Based Liquid Scintillator (WbLS), picosecond light sensors such as the Large Area Picosecond Photo Detector (LAPPD), and advanced pattern recognition and particle identification methods.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

150 Shades of Green: Using the Full Spectrum of Remote Sensing Reflectance to Elucidate Color Shifts in the Ocean

This article proposes a simple and intuitive classification system by which to define full spectral remote sensing reflectance (Rrs(λ)) data with a quantitative output that enables a more manageable handling of spectral information for aquatic science applications. The weighted harmonic mean of the Rrs(λ) wavelengths outputs an Apparent Visible Wavelength (in units of nanometers), representing a one-dimensional geophysical metric of color that is inherently correlated to spectral shape. This dimensionality reduction of spectral information combined with the output along a continuum of wavelength values offers a robust and user-friendly means to describe and analyze spectral Rrs(λ) in terms of spatial and temporal trends and variability. The uncertainty in the algorithm's estimation of spectral shape is demonstrated on a global scale, in addition to the utility of the algorithm to discern spectral-spatial-temporal trends in the ocean, on a per-pixel basis for the entire 22 year continuous ocean color (SeaWiFS and MODIS-Aqua) time-series. This technique can be applied to datasets of varying multi- and hyper-spectral resolutions, providing continuity between heritage and future satellite sensors, and further enabling an effective means of elucidating similarities or differences in complex spectral signatures within the constraints of two dimensions. This straightforward means of conceptualizing multi-dimensional variability can help maximize the potential of the spectral information embedded in remote sensing data.

ocean color↗

Effect of compensatory immigration on the genetic structure of coyotes

Despite efforts to reduce their impacts on livestock and native ungulates within the southeastern United States, coyotes (Canis latrans) are able to recover from control programs. It is unknown how coyotes compensate for high mortality following trapping, so there is great interest to identify methods that can provide insight into coyote response to intensive trapping. To investigate if population genetic tools can decipher how coyotes recover from intensive trapping, we combined an empirical test of how genetic differentiation, diversity, and familial structure changed following trapping on the Savannah River Site (SRS), South Carolina with spatially explicit genetic simulations.The empirical dataset found that pre- and post-trapping periods had similar genetic diversities and were not genetically differentiated as expected by either compensatory reproduction or immigration from a single genetic source. The post-trapping coyote populations exhibited weaker signatures of philopatry with little evidence for increased dispersal distances of young coyotes, which suggests immigration caused a decrease in familial structure. Our simulations indicated that spatial autocorrelation coefficients and observed heterozygosities change as immigration increases while population differentiation, allelic richness, and displacement distances do not. Collectively, our results suggest that coyotes recover from intensive trapping via both reproduction and immigration, which likely makes preventing compensation difficult. Furthermore, monitoring post-trapping populations may offer more insight into maximizing the effectiveness of control efforts, and based on our simulations, population genetics can provide critical information about the amount of compensatory immigration following trapping.

59 BASIC BIOLOGICAL SCIENCES↗

Solution Deposition of Phenylphosphinic Acid Leads to Highly Ordered, Covalently Bound Monolayers on TiO 2 (110) Without Annealing

Solution-deposited phosphonic acids, O=P(OH) 2 R, have been used to impart new functionality to a variety of metal oxide surfaces for applications ranging from organic field-effect transistors to biocompatible coatings on implants. Interestingly, the as-deposited monolayers are easily rinsed off, becoming robust and strongly adherent only after a long, low-temperature thermal anneal (e.g., 18 h at 120 °C). The need for this thermal treatment has raised questions about the nature of the bonding of the as-deposited monolayer. Is it merely physisorbed, requiring heat treatment for covalent bonding? To understand the first stages of monolayer formation, we have studied the reactivity and molecular bonding geometry of a prototypical, solution-deposited phosphinic acid, O=PH(OH)R, on the prototypical metal oxide surface rutile (110). We show that solution deposition produces near ideal, dense phenylphosphinate monolayers covalently bound in a bridged bidentate geometry. Three nearly orthogonal molecular vibrations—the P–H stretch vibration and the symmetric and antisymmetric OPO stretch vibrations—provided an unambiguous signature of the three-dimensional structure and binding of the adsorbed monolayer; scanning tunneling microscopy provided information on long-range order and intermolecular conformation; and X-ray photoemission spectroscopy provided coverage quantification. Despite their covalent bidentate attachment and significantly higher binding energy than the corresponding carboxylic acid, a H 2 O rinse removed most of the phosphinate monolayer, demonstrating that hydrolytic stability does not result from covalent attachment alone. The H 2 O rinse also oxidized ~25% of the phosphinate monolayer to the corresponding phosphonate, producing a species that was somewhat more resistant to H 2 O rinsing.

36 MATERIALS SCIENCE↗