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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Systematic mapping of the conformational landscape and dynamism of soluble fibrinogen

Background: Fibrinogen is a soluble, multisubunit, and multidomain dimeric protein, which, upon its proteolytic cleavage by thrombin, is converted to insoluble fibrin, initiating polymerization that substantially contributes to clot growth. Fibrinogen contains numerous, transiently accessible “cryptic” epitopes for hemostatic and immunologic proteins, suggesting that fibrinogen exhibits conformational flexibility, which may play functional roles in its temporal and spatial interactions. Hitherto, there have been limited integrative approaches characterizing the solution structure and internal flexibility of fibrinogen. Methods: Here, utilizing a multipronged, biophysical approach involving 2 solution-based techniques, temperature-dependent hydrogen-deuterium exchange mass spectrometry and small angle X-ray scattering, corroborated by negative stain electron microscopy, we present a holistic, conformationally dynamic model of human fibrinogen in solution. Results: Our data reveal 4 major and distinct conformations of fibrinogen accommodated by a high degree of internal protein flexibility along its central scaffold. We propose that the fibrinogen structure in the solution consists of a complex, conformational landscape with multiple local minima. This is further supported by the location of numerous point mutations that are linked to dysfibrinogenemia and posttranslational modifications, residing near the identified fibrinogen flexions. Conclusion: Further, this work provides a molecular basis for the structural “dynamism” of fibrinogen that is expected to influence the broad swath of its functionally diverse macromolecular interactions and fine-tune the structural and mechanical properties of blood clots.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Single-cell multimodal imaging uncovers energy conversion pathways in biohybrids

Microbe–semiconductor biohybrids, which integrate microbial enzymatic synthesis with the light-harvesting capabilities of inorganic semiconductors, have emerged as promising solar-to-chemical conversion systems. Improving the electron transport at the nano–bio interface and inside cells is important for boosting conversion efficiencies, yet the underlying mechanism is challenging to study by bulk measurements owing to the heterogeneities of both constituents. Here we develop a generalizable, quantitative multimodal microscopy platform that combines multi-channel optical imaging and photocurrent mapping to probe such biohybrids down to single- to sub-cell/particle levels. We uncover and differentiate the critical roles of different hydrogenases in the lithoautotrophic bacterium Ralstonia eutropha for bioplastic formation, discover this bacterium’s surprisingly large nanoampere-level electron-uptake capability, and dissect the cross-membrane electron-transport pathways. Furthermore, this imaging platform, and the associated analytical framework, can uncover electron-transport mechanisms in various types of biohybrid, and potentially offers a means to use and engineer R. eutropha for efficient chemical production coupled with photocatalytic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

An overview of the first International Satellite Land Surface Climatology Project (ISLSCP) Field Experiment (FIFE)

This paper reviews the history and scientific background leading up to FIFE, the experiment design, the scientific teams and equipment involved, and the actual execution of the experiment. The experiment was tasked with exploring techniques for utilizing satellite data to quantify important biophysical states and rates for model input. During the intensive field campaigns the fluxes of moisture, heat, carbon dioxide and radiation were measured with airborne and surface equipment in coordination with measurements of atmospheric and surface parameters and satellite overpasses.

Sellers, P. J.↗
NASA NTRS1989

Imaging spectrometry - Technology and applications

The development history and current status of NASA imaging-spectrometer (IS) technology are discussed in a review covering the period 1982-1988. Consideration is given to the Airborne IS first flown in 1982, the second-generation Airborne Visible and IR IS (AVIRIS), the High-Resolution IS being developed for the EOS polar platform, improved two-dimensional focal-plane arrays for the short-wave IR spectral region, and noncollinear acoustooptic tunable filters for use as spectral dispersing elements. Also examined are approaches to solving the data-processing problems posed by the high data volumes of state-of-the-art ISs (e.g., 160 MB per 600 x 600-pixel AVIRIS scene), including intelligent data editing, lossless and lossy data compression techniques, and direct extraction of scientifically meaningful geophysical and biophysical parameters.

Solomon, Jerry E.↗
NASA NTRS1984

Biophysical and spectral modeling for crop identification and assessment

The development of a technique for estimating all canopy parameters occurring in a canopy reflectance model from the measured canopy reflectance data is summarized. The Suits and the SAIL model for a uniform and homogeneous crop canopy were used to determine if the leaf area index and the leaf angle distribution could be estimated. Optimal solar/view angles for measuring CR were also investigated. The use of CR in many wavelengths or spectral bands and of linear and nonlinear transforms of CRs for various solar/view angles and various spectral bands is discussed as well as the inversion of rediance data inside the canopy, angle transforms for filtering out terrain slope effects, and modification of one dimensional models.

Goel, N. S.↗
DOE OSTI2022

Comprehensive single-shot biophysical cytometry using simultaneous quantitative phase imaging and Brillouin spectroscopy

Abstract Single-cell analysis, or cytometry, is a ubiquitous tool in the biomedical sciences. Whereas most cytometers use fluorescent probes to ascertain the presence or absence of targeted molecules, biophysical parameters such as the cell density, refractive index, and viscosity are difficult to obtain. In this work, we combine two complementary techniques—quantitative phase imaging and Brillouin spectroscopy—into a label-free image cytometry platform capable of measuring more than a dozen biophysical properties of individual cells simultaneously. Using a geometric simplification linked to freshly plated cells, we can acquire the cellular diameter, volume, refractive index, mass density, non-aqueous mass, fluid volume, dry volume, the fractional water content of cells, both by mass and by volume, the Brillouin shift, Brillouin linewidth, longitudinal modulus, longitudinal viscosity, the loss modulus, and the loss tangent, all from a single acquisition, and with no assumptions of underlying parameters. Our methods are validated across three cell populations, including a control population of CHO-K1 cells, cells exposed to tubulin-disrupting nocodazole, and cells under hypoosmotic shock. Our system will unlock new avenues of research in biophysics, cell biology, and medicine.

Steelman, Zachary A.↗
DOE OSTI2024

ZMPY3D: accelerating protein structure volume analysis through vectorized 3D Zernike moments and Python-based GPU integration

Abstract Motivation Volumetric 3D object analyses are being applied in research fields such as structural bioinformatics, biophysics, and structural biology, with potential integration of artificial intelligence/machine learning (AI/ML) techniques. One such method, 3D Zernike moments, has proven valuable in analyzing protein structures (e.g., protein fold classification, protein–protein interaction analysis, and molecular dynamics simulations). Their compactness and efficiency make them amenable to large-scale analyses. Established methods for deriving 3D Zernike moments, however, can be inefficient, particularly when higher order terms are required, hindering broader applications. As the volume of experimental and computationally-predicted protein structure information continues to increase, structural biology has become a “big data” science requiring more efficient analysis tools. Results This application note presents a Python-based software package, ZMPY3D, to accelerate computation of 3D Zernike moments by vectorizing the mathematical formulae and using graphical processing units (GPUs). The package offers popular GPU-supported libraries such as CuPy and TensorFlow together with NumPy implementations, aiming to improve computational efficiency, adaptability, and flexibility in future algorithm development. The ZMPY3D package can be installed via PyPI, and the source code is available from GitHub. Volumetric-based protein 3D structural similarity scores and transform matrix of superposition functionalities have both been implemented, creating a powerful computational tool that will allow the research community to amalgamate 3D Zernike moments with existing AI/ML tools, to advance research and education in protein structure bioinformatics. Availability and implementation ZMPY3D, implemented in Python, is available on GitHub (https://github.com/tawssie/ZMPY3D) and PyPI, released under the GPL License.

Lai, Jhih-Siang (ORCID:0000000156775890)↗
DOE OSTI2020

Laser writing of nitrogen-doped silicon carbide for biological modulation

Conducting or semiconducting materials embedded in insulating polymeric substrates can be useful in biointerface applications; however, attainment of this composite configuration by direct chemical processes is challenging. Laser-assisted synthesis has evolved as a fast and inexpensive technique to prepare various materials, but its utility in the construction of biophysical tools or biomedical devices is less explored. Here, we use laser writing to convert portions of polydimethylsiloxane (PDMS) into nitrogen-doped cubic silicon carbide (3C-SiC). The dense 3C-SiC surface layer is connected to the PDMS matrix via a spongy graphite layer, facilitating electrochemical and photoelectrochemical activity. We demonstrate the fabrication of arbitrary two-dimensional (2D) SiC-based patterns in PDMS and freestanding 3D constructs. To establish the functionality of the laser-produced composite, we apply it as flexible electrodes for pacing isolated hearts and as photoelectrodes for local peroxide delivery to smooth muscle sheets.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1993

A comparison of spectral mixture analysis an NDVI for ascertaining ecological variables

In this study, we compare the performance of spectral mixture analysis to the Normalized Difference Vegetation Index (NDVI) in detecting change in a grassland across topographically-induced nutrient gradients and different management schemes. The Konza Prairie Research Natural Area, Kansas, is a relatively homogeneous tallgrass prairie in which change in vegetation productivity occurs with respect to topographic positions in each watershed. The area is the site of long-term studies of the influence of fire and grazing on tallgrass production and was the site of the First ISLSCP (International Satellite Land Surface Climatology Project) Field Experiment (FIFE) from 1987 to 1989. Vegetation indices such as NDVI are commonly used with imagery collected in few (less than 10) spectral bands. However, the use of only two bands (e.g. NDVI) does not adequately account for the complex of signals making up most surface reflectance. Influences from background spectral variation and spatial heterogeneity may confound the direct relationship with biological or biophysical variables. High dimensional multispectral data allows for the application position of techniques such as derivative analysis and spectral curve fitting, thereby increasing the probability of successfully modeling the reflectance from mixed surfaces. The higher number of bands permits unmixing of a greater number of surface components, separating the vegetation signal for further analyses relevant to biological variables.

Wessman, Carol A.↗
NASA NTRS1984

Vegetation and soils field research data base: Experiment summaries

Understanding of the relationships between the optical, spectral characteristics and important biological-physical parameters of earth-surface features can best be obtained by carefully controlled studies over fields and plots where complete data describing the condition of targets are attainable and where frequent, timely spectral measurement can be obtained. Development of a vegetation and soils field research data base was initiated in 1972 at Purdue University's Laboratory for Applications of Remote Sensing and expanded in the fall of 1974 by NASA as part of LACIE. Since then, over 250,000 truck-mounted and helicopter-borne spectrometer/multiband radiometer observations have been obtained of more than 50 soil series and 20 species of crops, grasses, and trees. These data are supplemented by an extensive set of biophysical and meteorological data acquired during each mission. The field research data form one of the most complete and best-documented data sets acquired for agricultural remote sensing research. Thus, they are well-suited to serve as a data base for research to: (1) quantiatively determine the relationships of spectral and biophysical characteristics of vegetation, (2) define future sensor systems, and (3) develop advanced data analysis techniques.

Biehl, L. L.↗
DOE OSTI2025

Vitamin E Acetate Causes Softening of Pulmonary Surfactant Membrane Models

The popularity of electronic cigarettes and vaping products has launched the outbreak of a condition affecting the respiratory system of users, known as electronic-cigarette/vaping-associated lung injury (EVALI). The build-up of vitamin E acetate (VEA), a diluent of some illicit vaping oils, in the bronchoalveolar lavage of patients with EVALI provided circumstantial evidence as a target for investigation. In this work, we provide a fundamental characterization of the interaction of VEA with lung cells and pulmonary surfactant (PS) models to explore the mechanisms by which vaping-related lung injuries may be present. We first confirm the localization and uptake of VEA in pulmonary epithelial cells. Further, as PS is vitally responsible for the biophysical functions of the lungs, we explore the effect of added VEA on three increasingly complex models of PS: dipalmitoylphosphatidylcholine (DPPC), a lipid-only synthetic PS, and the biologically derived extract Curosurf. Using high-resolution techniques of small-angle X-ray scattering, small-angle neutron scattering, neutron spin–echo spectroscopy, and neutron reflectometry, we compare the molecular-scale behaviors of these membranes to the bulk viscoelastic properties of surfactant monolayer films as studied by Langmuir monolayer techniques. While VEA does not obviously alter the structure or organization of PS membranes, a consistent softening of membrane systems—regardless of compositional complexity—provides a biophysical explanation for the respiratory distress associated with EVALI and yields a new perspective on the behavior of the PS system.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2004

Forest Attributes from Radar Interferometric Structure and its Fusion with Optical Remote Sensing

The possibility of global, three-dimensional remote sensing of forest structure with interferometric synthetic aperture radar (InSAR) bears on important forest ecological processes, particularly the carbon cycle. InSAR supplements two-dimensional remote sensing with information in the vertical dimension. Its strengths in potential for global coverage complement those of lidar (light detecting and ranging), which has the potential for high-accuracy vertical profiles over small areas. InSAR derives its sensitivity to forest vertical structure from the differences in signals received by two, spatially separate radar receivers. Estimation of parameters describing vertical structure requires multiple-polarization, multiple-frequency, or multiple-baseline InSAR. Combining InSAR with complementary remote sensing techniques, such as hyperspectral optical imaging and lidar, can enhance vertical-structure estimates and consequent biophysical quantities of importance to ecologists, such as biomass. Future InSAR experiments will supplement recent airborne and spaceborne demonstrations, and together with inputs from ecologists regarding structure, they will suggest designs for future spaceborne strategies for measuring global vegetation structure.

InSAR↗
NASA NTRS2014

The AgMIP Coordinated Climate-Crop Modeling Project (C3MP): Methods and Protocols

Climate change is expected to alter a multitude of factors important to agricultural systems, including pests, diseases, weeds, extreme climate events, water resources, soil degradation, and socio-economic pressures. Changes to carbon dioxide concentration ([CO2]), temperature, and water (CTW) will be the primary drivers of change in crop growth and agricultural systems. Therefore, establishing the CTW-change sensitivity of crop yields is an urgent research need and warrants diverse methods of investigation. Crop models provide a biophysical, process-based tool to investigate crop responses across varying environmental conditions and farm management techniques, and have been applied in climate impact assessment by using a variety of methods (White et al., 2011, and references therein). However, there is a significant amount of divergence between various crop models' responses to CTW changes (Rotter et al., 2011). While the application of a site-based crop model is relatively simple, the coordination of such agricultural impact assessments on larger scales requires consistent and timely contributions from a large number of crop modelers, each time a new global climate model (GCM) scenario or downscaling technique is created. A coordinated, global effort to rapidly examine CTW sensitivity across multiple crops, crop models, and sites is needed to aid model development and enhance the assessment of climate impacts (Deser et al., 2012). To fulfill this need, the Coordinated Climate-Crop Modeling Project (C3MP) (Ruane et al., 2014) was initiated within the Agricultural Model Intercomparison and Improvement Project (AgMIP; Rosenzweig et al., 2013). The submitted results from C3MP Phase 1 (February 15, 2013-December 31, 2013) are currently being analyzed. This chapter serves to present and update the C3MP protocols, discuss the initial participation and general findings, comment on needed adjustments, and describe continued and future development. AgMIP aims to improve substantially the climate, crop, and economic simulation tools that are used to characterize the agricultural sector, to assess future world food security under changing climate conditions, and to enhance adaptation capacity both globally and regionally. To understand better and improve the modeled crop responses, AgMIP has conducted detailed crop model intercomparisons at closely observed field sites for wheat (Asseng et al., 2013), rice (Li et al., in review), maize (Bassu et al., 2014), and sugarcane (Singels et al., 2013). A coordinated modeling exercise was one of the original motivations for AgMIP, and C3MP provides rapid estimation of crop responses to CO2, water, and temperature (CTW) changes, adding dimension and insight into the crop model intercomparisons, while facilitating interactions within the global community of modelers. C3MP also contributes a fast-track, multi-model climate sensitivity assessment for the AgMIP climate and crop modeling teams on Research Track 2 (Fig. 1), which seeks to understand the impact of projected climatic changes on crop production and food security (Rosenzweig et al., 2013; Ruane et al., 2014).

agriculture↗
DOE OSTI2021

Overcoming the Challenges to Enhancing Experimental Plant Biology With Computational Modeling

The study of complex biological systems necessitates computational modeling approaches that are currently underutilized in plant biology. Many plant biologists have trouble identifying or adopting modeling methods to their research, particularly mechanistic mathematical modeling. Here we address challenges that limit the use of computational modeling methods, particularly mechanistic mathematical modeling. We divide computational modeling techniques into either pattern models (e.g., bioinformatics, machine learning, or morphology) or mechanistic mathematical models (e.g., biochemical reactions, biophysics, or population models), which both contribute to plant biology research at different scales to answer different research questions. We present arguments and recommendations for the increased adoption of modeling by plant biologists interested in incorporating more modeling into their research programs. As some researchers find math and quantitative methods to be an obstacle to modeling, we provide suggestions for easy-to-use tools for non-specialists and for collaboration with specialists. This may especially be the case for mechanistic mathematical modeling, and we spend some extra time discussing this. Through a more thorough appreciation and awareness of the power of different kinds of modeling in plant biology, we hope to facilitate interdisciplinary, transformative research.

58 GEOSCIENCES↗
NASA NTRS2009

Distribution of Chromosome Breakpoints in Human Epithelial Cells Exposed to Low- and High-LET Radiations

The advantage of the multicolor banding in situ hybridization (mBAND) technique is not only its ability to identify simultaneously both inter- and intrachromosome exchanges, but also the ability to measure the breakpoint location along the length of the chromosome in a precision that is unmatched with other traditional banding techniques. Breakpoints on specific regions of a chromosome have been known to associate with specific cancers. The breakpoint distribution in cells after low- and high-LET radiation exposures will also provide the data for biophysical modeling of the chromatin structure, as well as the data for the modeling the formation of radiation-induced chromosome aberrations. In a series of experiments, we studied low- and high-LET radiation-induced chromosome aberrations using the mBAND technique with chromosome 3 painted in 23 different colored bands. Human epithelial cells (CH1 84B5F5/M10) were exposed in vitro to Cs- 137 rays at both low and high dose rates, secondary neutrons with a broad energy spectrum at a low dose rate and 600 MeV/u Fe ions at a high dose rate. The data of both inter- and intrachromosome aberrations involving the painted chromosome have been reported previously. Here we present data of the location of the chromosome breaks along the length of chromosome 3 in the cells after exposures to each of the four radiation scenarios. In comparison to the expected breakpoint distribution based on the length of the bands, the observed distribution appeared to be non-random for both the low- and high-LET radiations. In particular, hot spots towards both ends of the chromosome were found after low-LET irradiations of either low or high dose rates. For both high-LET radiation types (Fe ions and neutrons), the breakpoint distributions were similar, and were much smoother than that for low-LET radiation. The dependence of the breakpoint distribution on the radiation quality requires further investigations.

Hada, Megumi↗
NASA NTRS2002

Low-Cost Evaluation of EO-1 Hyperion and ALI for Detection and Biophysical Characterization of Forest Logging in Amazonia (NCC5-481)

Major uncertainties exist regarding the rate and intensity of logging in tropical forests worldwide: these uncertainties severely limit economic, ecological, and biogeochemical analyses of these regions. Recent sawmill surveys in the Amazon region of Brazil show that the area logged is nearly equal to total area deforested annually, but conversion of survey data to forest area, forest structural damage, and biomass estimates requires multiple assumptions about logging practices. Remote sensing could provide an independent means to monitor logging activity and to estimate the biophysical consequences of this land use. Previous studies have demonstrated that the detection of logging in Amazon forests is difficult and no studies have developed either the quantitative physical basis or remote sensing approaches needed to estimate the effects of various logging regimes on forest structure. A major reason for these limitations has been a lack of sufficient, well-calibrated optical satellite data, which in turn, has impeded the development and use of physically-based, quantitative approaches for detection and structural characterization of forest logging regimes. We propose to use data from the EO-1 Hyperion imaging spectrometer to greatly increase our ability to estimate the presence and structural attributes of selective logging in the Amazon Basin. Our approach is based on four "biogeophysical indicators" not yet derived simultaneously from any satellite sensor: 1) green canopy leaf area index; 2) degree of shadowing; 3) presence of exposed soil and; 4) non-photosynthetic vegetation material. Airborne, field and modeling studies have shown that the optical reflectance continuum (400-2500 nm) contains sufficient information to derive estimates of each of these indicators. Our ongoing studies in the eastern Amazon basin also suggest that these four indicators are sensitive to logging intensity. Satellite-based estimates of these indicators should provide a means to quantify both the presence and degree of structural disturbance caused by various logging regimes. Our quantitative assessment of Hyperion hyperspectral and ALI multi-spectral data for the detection and structural characterization of selective logging in Amazonia will benefit from data collected through an ongoing project run by the Tropical Forest Foundation, within which we have developed a study of the canopy and landscape biophysics of conventional and reduced-impact logging. We will add to our base of forest structural information in concert with an EO-1 overpass. Using a photon transport model inversion technique that accounts for non-linear mixing of the four biogeophysical indicators, we will estimate these parameters across a gradient of selective logging intensity provided by conventional and reduced impact logging sites. We will also compare our physical ly-based approach to both conventional (e.g., NDVI) and novel (e.g., SWIR-channel) vegetation indices as well as to linear mixture modeling methods. We will cross-compare these approaches using Hyperion and ALI imagers to determine the strengths and limitations of these two sensors for applications of forest biophysics. This effort will yield the first physical ly-based, quantitative analysis of the detection and intensity of selective logging in Amazonia, comparing hyperspectral and improved multi-spectral approaches as well as inverse modeling, linear mixture modeling, and vegetation index techniques.

Asner, Gregory P.↗
DOE OSTI2025

Cholesterol modulates membrane elasticity via unified biophysical laws

Cholesterol and lipid unsaturation underlie a balance of opposing forces that features prominently in adaptive cell responses to diet and environmental cues. These competing factors have resulted in contradictory observations of membrane elasticity across different measurement scales, requiring chemical specificity to explain incompatible structural and elastic effects. Here, we demonstrate that – unlike macroscopic observations – lipid membranes exhibit a unified elastic behavior in the mesoscopic regime between molecular and macroscopic dimensions. Using nuclear spin techniques and computational analysis, we find that mesoscopic bending moduli follow a universal dependence on the lipid packing density regardless of cholesterol content, lipid unsaturation, or temperature. Our observations reveal that compositional complexity can be explained by simple biophysical laws that directly map membrane elasticity to molecular packing associated with biological function, curvature transformations, and protein interactions. The obtained scaling laws closely align with theoretical predictions based on conformational chain entropy and elastic stress fields. These findings provide unique insights into the membrane design rules optimized by nature and unlock predictive capabilities for guiding the functional performance of lipid-based materials in synthetic biology and real-world applications.

Kumarage, Teshani [Virginia Polytechnic Inst. and ↗