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At least 613 records · Page 34

Quantitative analysis of volatile organic compounds using ion mobility spectra and cascade correlation neural networks

Ion Mobility Spectrometry (IMS) is a powerful technique for trace organic analysis in the gas phase. Quantitative measurements are difficult, because IMS has a limited linear range. Factors that may affect the instrument response are pressure, temperature, and humidity. Nonlinear calibration methods, such as neural networks, may be ideally suited for IMS. Neural networks have the capability of modeling complex systems. Many neural networks suffer from long training times and overfitting. Cascade correlation neural networks train at very fast rates. They also build their own topology, that is a number of layers and number of units in each layer. By controlling the decay parameter in training neural networks, reproducible and general models may be obtained.

Harrington, Peter DEB.↗

Physiological water model development

The water of the human body can be categorized as existing in two main compartments: intracellular water and extracellular water. The intracellular water consists of all the water within the cells and constitutes over half of the total body water. Since red blood cells are surrounded by plasma, and all other cells are surrounded by interstitial fluid, the intracellular compartment has been subdivided to represent these two cell types. The extracellular water, which includes all of the fluid outside of the cells, can be further subdivided into compartments which represent the interstitial fluid, circulating blood plasma, lymph, and transcellular water. The interstitial fluid surrounds cells outside of the vascular system whereas plasma is contained within the blood vessels. Avascular tissues such as dense connective tissue and cartilage contain interstitial water which slowly equilibrates with tracers used to determine extracellular fluid volume. For this reason, additional compartments are sometimes used to represent these avascular tissues. The average size of each compartment, in terms of percent body weight, has been determined for adult males and females. These compartments and the forces which cause flow between them are presented. The kidneys, a main compartment, receive about 25 percent of the cardiac output and filters out a fluid similar to plasma. The composition of this filtered fluid changes as it flows through the kidney tubules since compounds are continually being secreted and reabsorbed. Through this mechanism, the kidneys eliminate wastes while conserving body water, electrolytes, and metabolites. Since sodium accounts for over 90 percent of the cations in the extracellular fluid, and the number of cations is balanced by the number of anions, considering the renal handling sodium and water only should sufficiently describe the relationship between the plasma compartment and kidneys. A kidney function model is presented which has been adapted from a previous model of normal renal function in man. To test the validity of the proposed kidney model, results predicted by the model will be compared to actual data involving injected or ingested fluids and subsequent urine flow rates. Comparison of the model simulation to actual data following the ingestion of 1 liter of water is shown. The model simulation is also shown with actual data following the intravenous infusion of hypertonic saline.

Doty, Susan↗

Electronic characterization of defects in narrow gap semiconductors

We use a Green's function technique to calculate the position of deep defects in narrow gap semiconductors. We consider substitutional (including antisite), vacancy, and interstitial (self and foreign) deep defects. We also use perturbation theory to look at the effect of nonparabolic bands on shallow defect energies and find nonparabolicity can increase the binding by 10 percent or so. We consider mercury cadmium telluride (MCT), mercury zinc telluride (MZT), and mercury zinc selenide (MZS). For substitutional and interstitial defects we look at the situation with and without relaxation. For substitutional impurities in MCT, MZT, and MZS, we consider x (the concentration of Cd or Zn) in the range 0.1 less than x less than 0.3 and also consider appropriate x so E(sub g) = 0.1 eV for each of the three compounds. We consider several cation site s-like deep levels and anion site p-like levels. For E(sub g) = 0.1 eV, we also consider the effects of relaxation. Similar comments apply to the interstitial deep levels whereas no relaxation is considered for the ideal vacancy model. Relaxation effects can be greater for the interstitial than the substitutional cases. Specific results are given in figures and tables and comparison to experiment is made in a limited number of cases. We find, for example, that I, Se, S, Rn, and N are possible cation site, s-like deep levels in MCT and Zn and Mg are for anion site, p-like levels (both levels for substitutional cases). The corresponding cation and anion site levels for interstitial deep defects are (Au, Ag, Hg, Cd, Cu, Zn) and (N, Ar, O, F). For the substitutional cases we have some examples of relaxation moving the levels into the band gap, whereas for the interstitial case we have examples where relaxation moves it out of the band gap. Future work involves calculating the effects of charge state interaction and seeing the effect of relaxation on vacancy levels.

Patterson, James D.↗

Norfolk State University Research Experience in Earth System Science

The truly interdisciplinary nature of Earth System Science lends itself to the creation of research teams comprised of people with different scientific and technical backgrounds. In the annals of Earth System Science (ESS) education, the lack of an academic major in the discipline might be seen as a barrier to the involvement of undergraduates in the overall ESS-enterprise. This issue is further compounded at minority-serving institutions by the rarity of departments dedicated to Atmospheric Science, Oceanography or even the geosciences. At Norfolk State University, a Historically Black College, a six week, NASA-supported, summer undergraduate research program (REESS - Research Experience in Earth System Science) is creating a model that involves students with majors in diverse scientific disciplines in authentic ESS research coupled with a structured education program. The project is part of a wider effort at the University to enhance undergraduate education by identifying specific areas of student weaknesses regarding the content and process of science. A pre- and post-assessment test, which is focused on some fundamental topics in global climate change, is given to all participants as part of the evaluation of the program. Student attitudes towards the subject and the program's approach are also surveyed at the end of the research experience. In 2002, 11 undergraduates participated in REESS and were educated in the informed use of some of the vast remote sensing resources available through NASA's Earth Science Enterprise (ESE). The program ran from June 3rd through July 12, 2002. This was the final year of the project.

Chaudhury, Raj↗

Organics Exposure in Orbit (OREOcube): A Next-Generation Space Exposure Platform

The OREOcube (ORganics Exposure in Orbit cube) experiment on the International Space Station (ISS) will investigate the effects of solar and cosmic radiation on organic thin films supported on inorganic substrates. Probing the kinetics of structural changes and photomodulated organic− inorganic interactions with real-time in situ UV−visible spectroscopy, this experiment will investigate the role played by solid mineral surfaces in the (photo)chemical evolution, transport, and distribution of organics in our solar system and beyond. In preparation for the OREOcube ISS experiment, we report here laboratory measurements of the photostability of thin films of the 9,10-anthraquinone derivative anthrarufin (51 nm thick) layered upon ultrathin films of iron oxides magnetite and hematite (4 nm thick), as well as supported directly on fused silica. During irradiation with UV and visible light simulating the photon flux and spectral distribution on the surface of Mars, anthrarufin/iron oxide bilayer thin films were exposed to CO2 (800 Pa), the main constituent (and pressure) of the martian atmosphere. The time-dependent photodegradation of anthrarufin thin films revealed the inhibition of degradation by both types of underlying iron oxides relative to anthrarufin on bare fused silica. Interactions between the organic and inorganic thin films, apparent in spectral shifts of the anthrarufin bands, are consistent with presumed free-electron quenching of semiquinone anion radicals by the iron oxide layers, electively protecting the organic compound from photodegradation. Combining such in situ real-time kinetic measurements of thin films in future space exposure experiments on the ISS with postflight sample return and analysis will provide time-course studies complemented by in-depth chemical analysis. This will facilitate the characterization and modeling of the chemistry of organic species associated with mineral surfaces in astrobiological contexts.

Organics↗

First Results From an Uncooled LWIR Polarimeter for Cubesat Deployment

A compact long-wave infrared (LWIR) channeled spectro-polarimeter (IRCSP) has been developed for integration into the NASA Earth Science Technology Office (ESTO) funded submm-wave and LWIR polarimeters project to measure the microphysical properties of cloud ice. Once deployed, the IRCSP will produce the first linear Stokes measurements ( S0 , S1 , S2 ) of upper-tropospheric cirrus clouds from 8.5 to 12.5 μm. For the first time, a compact, light-weight, and uncooled LWIR polarimeter with off-the-shelf thermal optical components is demonstrated. We report narrowband calibration measurements which quantify metrics of polarimetric system performance. The response of the system to linearly polarized light is shown to agree with both a Mueller matrix model and modulation function for narrowband calibration measurements with an R2 > 0.98 from 8 to 11 μm. The polarimetric efficiency is >0.8 from 8 to 11 μm for narrowband measurements indicating satisfactory performance of the polarization optics. Beyond 11 μm, the agreement is significantly reduced as thermal noise compounds with reduced detector response. Ultimately, the observed system performance is limited by the spectral response of the detector past 11 μm in addition to the thermal noise inherent for the measurements at room temperature.

LWIR↗

Theoretical model for frequency locking a diode laser with a Faraday cell

A new method was developed for frequency locking a diode lasers, called 'the Faraday anomalous dispersion optical transmitter (FADOT) laser locking', which is much simpler than other known locking schemes. The FADOT laser locking method uses commercial laser diodes with no antireflection coatings, an atomic Faraday cell with a single polarizer, and an output coupler to form a compound cavity. The FADOT method is vibration insensitive and exhibits minimal thermal expansion effects. The system has a frequency pull in the range of 443.2 GHz (9 A). The method has potential applications in optical communication, remote sensing, and pumping laser excited optical filters.

Wanninger, P.↗

Machine Learning Models to Predict Cognitive Impairment of Rodents Subjected to Space Radiation

This research uses machine-learned computational analyses to predict the cognitive performance impairment of rats induced by irradiation. The experimental data in the analyses is from a rodent model exposed to ≤ 15 cGy of individual Galactic Cosmic Radiation (GCR) ions: 4He, 16O, 28Si, 48Ti, or 56Fe, expected for a Lunar or Mars mission. This work investigates rats at a subject-based level and uses performance scores taken before irradiation to predict impairment in Attentional Set-shifting (ATSET) data post-irradiation. Here, the worst performing rats of the control group define the impairment thresholds based on population analyses via cumulative distribution functions, leading to the labeling of impairment for each subject. A significant finding is the exhibition of a dose-dependent increasing probability of impairment for 1 to 10 cGy of 28Si or 56Fe in the Simple Discrimination (SD) stage of the ATSET, and for 1 to 10 cGy of 56Fe in the Compound Discrimination (CD) stage. On a subject-based level, implementing Machine Learning (ML) classifiers such as the Gaussian Naïve Bayes, Support Vector Machine, and Artificial Neural Networks identifies rats that have a higher tendency for impairment after GCR exposure. The algorithms employ the experimental prescreenperformance scores as multidimensional input features to predict each rodent’s susceptibility to cognitive impairment due to space radiation exposure. The receiver operating characteristic and the precision-recall curves of the ML models show a better prediction of impairment when 56Feis the ion in question in both SD and CD stages. They, however, do not depict impairment due to 4Hein SD and 28Siin CD, suggesting no dose-dependent impairment response in these cases. One key finding of our study is that prescreen performance scores can be used to predict the ATSET performance impairments. This result is significant to crewed space missions as it supports the potential of predicting an astronaut’s impairment in a specific task before spaceflight through the implementation of appropriately trained ML tools. Future research can focus on constructing ML ensemble methods to integrate the findings from the methodologies implemented in this study for morerobust predictionsof cognitive decrements due to space radiation exposure.

space radiation↗

A comparative bear model for immobility-induced osteopenia

The National Institutes of Health (NIH) and the National Aeronautics and Space Administration (NASA) are seeking solutions to the human problem of osteopenia, or immobility-induced bone loss. Bears, during winter dormancy, appear uniquely exempted from the debilitating effects of immobility osteopenia. NIH and ESA, Inc. are creating a large database of metabolic information on human ambulatory and bedrest plasma samples for comparison with metabolic data obtained from bear plasma samples collected in different seasons. The database generated from NASA's HR113 human bedrest study showed a clear difference between plasma samples of ambulatory and immobile subjects through cluster analysis using compounds determined by high performance liquid chromatography with coulometric electrochemical array detection (HPLC-EC). We collected plasma samples from black bears (Ursus americanus) across 4 seasons and from 3 areas and subjected them to similar analysis, with particular attention to compounds that changed significantly in the NASA human study. We found seasonal differences in 28 known compounds and 33 unknown compounds. A final database contained 40 known and 120 unknown peaks that were reliably assayed in all bear and human samples; these were the primary data set for interspecies comparison. Six unidentified compounds changed significantly but differentially in wintering bears and immobile humans. The data are discussed in light of current theories regarding dormancy, starvation, and anabolic metabolism. Work is in progress by ESA Laboratories on a larger database to confirm these findings prior to a chemical isolation and identification effort. This research could lead to new pharmaceuticals or dietary interventions for the treatment of immobility osteopenia.

NASA Discipline Musculoskeletal↗

Computer simulation of the heavy-duty turbo-compounded diesel cycle for studies of engine efficiency and performance

Reductions in heat loss at appropriate points in the diesel engine which result in substantially increased exhaust enthalpy were shown. The concepts for this increased enthalpy are the turbocharged, turbocompounded diesel engine cycle. A computer simulation of the heavy duty turbocharged turbo-compounded diesel engine system was undertaken. This allows the definition of the tradeoffs which are associated with the introduction of ceramic materials in various parts of the total engine system, and the study of system optimization. The basic assumptions and the mathematical relationships used in the simulation of the model engine are described.

Assanis, D. N.↗

InGaP/InGaAs-on-Ge Concentrator Solar Cell for Space Power Generation

The passivating front and back window layer of the top cell has been chosen. We have chosen to use InGaAs as the tunnel junction interconnect compound since it is easily degenerately doped. All of the dual junction cell structures were grown on GaAs substrates. Time constraints prevented us from completing the development of the GaAs-on-Ge growth process. Analysis of the I-V and EQE data, and comparison with computer-modeled data, shows that the performance of the dual-junction cell is still being controlled by the bottom cell, in spite of top cell thinning. Further improvement in the dual-junction cell efficiency is possible by thinning the front window.

Sinharoy, Samar↗

Rapid flow-induced responses in endothelial cells

Endothelial cells alter their morphology, growth rate, and metabolism in response to fluid shear stress. To study rapid flow-induced responses in the 3D endothelial cell morphology and calcium distribution, coupled fluorescence microscopy with optical sectioning, digital imaging, and numerical deconvolution techniques have been utilized. Results demonstrate that within the first minutes of flow application nuclear calcium is increasing. In the same time frame whole cell height and nuclear height are reduced by about 1 microm. Whole cell height changes may facilitate reduction of shear stress gradients on the luminal surface, whereas nuclear structural changes may be important for modulating endothelial growth rate and metabolism. To study the role of the cytoskeleton in these responses, endothelial cells have been treated with specific disrupters (acrylamide, cytochalasin D, and colchicine) of each of the cytoskeleton elements (intermediate filaments, microfilaments, and microtubules, respectively). None of these compounds had any effect on the shear-induced calcium response. Cytochalasin D and acrylamide did not affect the shear-induced nuclear morphology changes. Colchicine, however, completely abrogated the response, indicating that microtubules may be implicated in force transmission from the plasma membrane to the nucleus. A pedagogical model based on tensegrity theory principles is presented that is consistent with the results on the 3D endothelial morphology.

Non-NASA Center↗

Possible Calcite and Magnesium Perchlorate Interaction in the Mars Phoenix Thermal and Evolved Gas Analyzer (TEGA)

The Mars Phoenix Lander's TEGA instrument detected a calcium carbonate phase decomposing at high temperatures (approx.700 C) from the Wicked Witch soil sample [1]. TEGA also detected a lower temperature CO2 release between 400 C and 680 C [1]. Possible explanations given for this lower temperature CO2 release include thermal decomposition of Mg or Fe carbonates, a zeolitictype desorption reaction, or combustion of organic compounds in the soil [2]. The detection of 0.6 wt % soluble perchlorate by the Wet Chemistry Laboratory (WCL) on Phoenix [3] has implications for the possibility of organic molecules in the soil. Ming et al. [4] demonstrated that perchlorates could have oxidized organic compounds to CO2 in TEGA, preventing detection of their characteristic mass fragments. Here, we propose that a perchlorate salt and calcium carbonate present in martian soil reacted to produce the 400 C - 680 C TEGA CO2 release. The parent salts of the perchlorate on Mars are unknown, but geochemical models using WCL data support the possible dominance of Mg-perchlorate salts [5]. Mg(ClO4)2 6H2O is the stable phase at ambient martian conditions [6], and breaks down at lower temperatures than carbonates giving off Cl2 and HCl gas [7,8]. Devlin and Herley [7] report two exotherms at 410-478 C and 473-533 C which correspond to the decomposition of Mg(ClO4)2.

Cannon, K. M.↗

Colors of Jupiter's large anticyclones and the interaction of a Tropical Red Oval with the Great Red Spot in 2008

The nature and mechanisms producing the chromophore agents that provide color to the upper clouds and hazes of the atmospheres of the giant planets are largely unknown. In recent times, the changes in red coloration that have occurred in large- and medium-scale Jovian anticyclones have been particularly interesting. In late June and early July 2008, a particularly color-intense red tropical oval interacted with the Great Red Spot (GRS) leading to the destruction of the red tropical oval and cloud dispersion. We present a detailed study of the tropical vortices, usually white but sometimes red, and a characterization of their color spectral signatures and dynamics. From the spectral reflectivity in methane bands we study their vertical cloud structure compared to that of the GRS and BA. Using two spectral indices we found a near-correlation between anticyclones cloud top altitudes and red color. We present detailed observations of the interaction of the red oval with the GRS and model simulations of the phenomena that allow us to constrain the relative vertical extent of the vortices. We conclude that the vertical cloud structure, vertical extent and dynamics of Jovian anticyclones are not the causes of their coloration. We propose that the red chromophore forms when background material (a compound or particles) is entrained by the vortex, transforming into red once inside the vortex due to internal conditions, exposure to ultraviolet radiation or to the mixing of two chemical compounds that react inside the vortex, confined by a potential vorticity ring barrier.

red color↗

Formaldehyde Column Density Measurements as a Suitable Pathway to Estimate Near-Surface Ozone Tendencies from Space

In support of future satellite missions that aim to address the current shortcomings in measuring air quality from space, NASA's Deriving Information on Surface Conditions from Column and Vertically Resolved Observations Relevant to Air Quality (DISCOVER-AQ) field campaign was designed to enable exploration of relationships between column measurements of trace species relevant to air quality at high spatial and temporal resolution. In the DISCOVER-AQ data set, a modest correlation (r2 = 0.45) between ozone (O3) and formaldehyde (CH2O) column densities was observed. Further analysis revealed regional variability in the O3-CH2O relationship, with Maryland having a strong relationship when data were viewed temporally and Houston having a strong relationship when data were viewed spatially. These differences in regional behavior are attributed to differences in volatile organic compound (VOC) emissions. In Maryland, biogenic VOCs were responsible for approx.28% of CH2O formation within the boundary layer column, causing CH2O to, in general, increase monotonically throughout the day. In Houston, persistent anthropogenic emissions dominated the local hydrocarbon environment, and no discernable diurnal trend in CH2O was observed. Box model simulations suggested that ambient CH2O mixing ratios have a weak diurnal trend (+/-20% throughout the day) due to photochemical effects, and that larger diurnal trends are associated with changes in hydrocarbon precursors. Finally, mathematical relationships were developed from first principles and were able to replicate the different behaviors seen in Maryland and Houston. While studies would be necessary to validate these results and determine the regional applicability of the O3-CH2O relationship, the results presented here provide compelling insight into the ability of future satellite missions to aid in monitoring near-surface air quality.

Surface Conditions from Column and Vertically Reso↗

High-Throughput Screening of Li Solid-State Electrolytes With Bond Valence Methods and Graph Neural Networks

Li-based solid-state electrolyte (Li-SSE) materials enable safer, all-solid-state batteries but the computational search for candidates with favorable stability and Li-ion conductivity is challenging due to the size of the search space and the cost of evaluating transport properties with ab initio methods. We present a high-throughput screening approach for Li-SSE materials using a combination of bond-valence methods and graph neural networks. We demonstrate the screening approach with a dataset containing tens of thousands of Li-containing compounds. Furthermore, we combine the machine-learning screening procedure with an isovalent substitution scheme to generate and screen additional Li SSE candidates beyond existing databases. Finally, we discuss relative importances of geometric and bond-valence quantities in the training of graph neural networks, providing insight for future modeling of ionic conductivity in Li-SSE materials.

Materials discovery↗

Screening of Li-Based Solid Electrolytes Using Bond-Valence Methods and Graph Neural Networks

Li-based solid-state electrolyte (Li-SSE) materials enable safer, all-solid-state batteries but the computational search for candidates with favorable stability and Li-ion conductivity is challenging due to the size of the search space and the cost of evaluating transport properties with ab initio methods. We present a high-throughput screening approach for Li-SSE materials using a combination of bond-valence methods and graph neural networks. We demonstrate the screening approach with a dataset containing tens of thousands of Li-containing compounds. Furthermore, we combine the machine-learning screening procedure with an isovalent substitution scheme to generate and screen additional Li SSE candidates beyond existing databases. Finally, we discuss relative importances of geometric and bond-valence quantities in the training of graph neural networks, providing insight for future modeling of ionic conductivity in Li-SSE materials.

Materials discovery↗