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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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58 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Combining Geometric Pocket Detection and Desolvation Properties to Detect Putative Ligand Binding Sites on Proteins

The accurate identification of cavities that can bind ligands on the surface of proteins is of major importance for the characterization of the function of proteins based on its structure. In addition it can be helpful for rational structure-based drug design on target proteins of medical relevance and for evaluating the tendency of proteins to aggregate or oligomerize. A new approach termed dPredGB to detect and evaluate putativebinding cavities on protein surfaces has been developed. In contrast to existing prediction methods that are based on purely geometric features of binding sites or on possible direct interactions with a putativebinding partner the dPredGB approach combines rapid geometricdetection with an evaluation of the desolvationproperties of the putativebindingpocket. It has been tested on a variety of proteins known to bind ligands in bound and unbound conformations. The approach outperforms most available methods and offers also the spatial characterization of the desolvationproperties of a binding region. On a test set of proteins the method identifies in 69% of the unbound cases and 85% of the bound cases the known ligandbinding cavity as the top ranking prediction. Possibilities to improve the prediction performance even further are also discussed.

Environmental Molecular Sciences Laboratory↗
NASA NTRS2018

Remote Sensing of Evapotranspiration over the Central Arizona Irrigation and Drainage District, USA

Knowledge of baseline water use for irrigated crops in the U.S. Southwest is important for understanding how much water is consumed under normal farm management and to help manage scarce resources. Remote sensing of evapotranspiration (ET) is an effective way to gain that knowledge: multispectral data can provide synoptic and time-repetitive estimates of crop-specific water use, and could be especially useful for this arid region because of dominantly clear skies and minimal precipitation. Although multiple remote sensing ET approaches have been developed and tested, there is not consensus on which of them should be preferred because there are still few intercomparison studies within this environment. To help build the experience needed to gain consensus, a remote sensing study using three ET models was conducted over the Central Arizona Irrigation and Drainage District (CAIDD). Aggregated ET was assessed for 137 wheat plots (winter/spring crop), 183 cotton plots (summer crop), and 225 alfalfa plots (year-round). The employed models were the Satellite-Based Energy Balance for Mapping Evapotranspiration with Internalized Calibration (METRIC), the Two Source Energy Balance (TSEB), and Vegetation Index ET for the US Southwest (VISW). Remote sensing data were principally Landsat 5, supplemented by Landsat 7, MODIS Terra, MODIS Aqua, and ASTER. Using district-wide model averages, seasonal use (excluding surface evaporation) was 742 mm (millimeters) for wheat, 983 mm for cotton, and 1427 mm for alfalfa. All three models produced similar daily ET for wheat, with 6-8 mm per day mid-season. Model estimates diverged for cotton and alfalfa sites. Considering ET over cotton, TSEB estimates were 9.5 mm per day, METRIC 6 mm per day, and VISW 8 mm per day. For alfalfa, the ET values from TSEB were 8.0 mm per day, METRIC 5 mm per day, and VISW 6 mm per day. Lack of local validation information unfortunately made it impossible to rank model performance. However, by averaging results from all of them, ET model outliers could be identified. They ranged from minus 10 percent to plus 18 percent, values that represent expected ET modeling discrepancies. Relative to the model average, standardized ET-estimators - potential ET (ET (sub 0)), FAO-56 ET, and USDA-SW gravimetric-ET - showed still greater deviations, up to 35 percent of annual crop water use for summer and year-round crops, suggesting that remote sensing of actual ET could lead to significantly improved estimates of crop water use. Results from this study highlight the need for conducting multi-model experiments during summer-months over sites with independent ground validation.

Alfalfa↗
NASA NTRS2016

Exploration Clinical Decision Support System: Medical Data Architecture

The Exploration Clinical Decision Support (ECDS) System project is intended to enhance the Exploration Medical Capability (ExMC) Element for extended duration, deep-space mission planning in HRP. A major development guideline is the Risk of "Adverse Health Outcomes & Decrements in Performance due to Limitations of In-flight Medical Conditions". ECDS attempts to mitigate that Risk by providing crew-specific health information, actionable insight, crew guidance and advice based on computational algorithmic analysis. The availability of inflight health diagnostic computational methods has been identified as an essential capability for human exploration missions. Inflight electronic health data sources are often heterogeneous, and thus may be isolated or not examined as an aggregate whole. The ECDS System objective provides both a data architecture that collects and manages disparate health data, and an active knowledge system that analyzes health evidence to deliver case-specific advice. A single, cohesive space-ready decision support capability that considers all exploration clinical measurements is not commercially available at present. Hence, this Task is a newly coordinated development effort by which ECDS and its supporting data infrastructure will demonstrate the feasibility of intelligent data mining and predictive modeling as a biomedical diagnostic support mechanism on manned exploration missions. The initial step towards ground and flight demonstrations has been the research and development of both image and clinical text-based computer-aided patient diagnosis. Human anatomical images displaying abnormal/pathological features have been annotated using controlled terminology templates, marked-up, and then stored in compliance with the AIM standard. These images have been filtered and disease characterized based on machine learning of semantic and quantitative feature vectors. The next phase will evaluate disease treatment response via quantitative linear dimension biomarkers that enable image content-based retrieval and criteria assessment. In addition, a data mining engine (DME) is applied to cross-sectional adult surveys for predicting occurrence of renal calculi, ranked by statistical significance of demographics and specific food ingestion. In addition to this precursor space flight algorithm training, the DME will utilize a feature-engineering capability for unstructured clinical text classification health discovery. The ECDS backbone is a proposed multi-tier modular architecture providing data messaging protocols, storage, management and real-time patient data access. Technology demonstrations and success metrics will be finalized in FY16.

Biomedical support↗
NASA NTRS2016

Characterization of Evidence for Human System Risk Assessment

Understanding the kinds of evidence available and using the best evidence to answer a question is critical to evidenced-based decision-making, and it requires synthesis of evidence from a variety of sources. Categorization of human system risks in spaceflight, in particular, focuses on how well the integration and interpretation of all available evidence informs the risk statement that describes the relationship between spaceflight hazards and an outcome of interest. A mature understanding and categorization of these risks requires: 1) sufficient characterization of risk, 2) sufficient knowledge to determine an acceptable level of risk (i.e., a standard), 3) development of mitigations to meet the acceptable level of risk, and 4) identification of factors affecting generalizability of the evidence to different design reference missions. In the medical research community, evidence is often ranked by increasing confidence in findings gleaned from observational and experimental research (e.g., "levels of evidence"). However, an approach based solely on aspects of experimental design is problematic in assessing human system risks for spaceflight. For spaceflight, the unique challenges and opportunities include: (1) The independent variables in most evidence are the hazards of spaceflight, such as space radiation or low gravity, which cannot be entirely duplicated in terrestrial (Earth-based) analogs, (2) Evidence is drawn from multiple sources including medical and mission operations, Lifetime Surveillance of Astronaut Health (LSAH), spaceflight research (LSDA), and relevant environmental & terrestrial databases, (3) Risk metrics based primarily on LSAH data are typically derived from available prevalence or incidence data, which may limit rigorous interpretation, (4) The timeframe for obtaining adequate spaceflight sample size (n) is very long, given the small population, (5) Randomized controlled trials are unattainable in spaceflight, (6) Collection of personal and environmental data on the astronaut population may create opportunities for advanced analytics and human-environment modeling that goes beyond that achieved in isolated experimental designs; and (7) Translation of relevant research to operations is a complex, transdisciplinary enterprise in which the approach must apply across the physical, biological, behavioral, and social sciences. The approach to synthesizing evidence must address both source and fidelity of data, and reflect the most general attributes of quality of evidence in science and engineering: reliability and validity. The authors are developing a two-factor approach which includes the various kinds of evidence required to understand risks and for the integrated interpretation of all evidence that is essential to develop standards and countermeasures. A unified framework for aggregating and assessing different kinds of evidence provides a consistent, traceable, evidence-based decision-making process to translate research to operations in an environment where engineers, scientists, physicians, and managers all engage in analyzing the trade space of vehicle design, standards, requirements and solutions for spaceflight.

Steinberg, S. L.↗