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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Predicting synthetic mRNA stability using massively parallel kinetic measurements, biophysical modeling, and machine learning

Abstract mRNA degradation is a central process that affects all gene expression levels, though it remains challenging to predict the stability of a mRNA from its sequence, due to the many coupled interactions that control degradation rate. Here, we carried out massively parallel kinetic decay measurements on over 50,000 bacterial mRNAs, using a learn-by-design approach to develop and validate a predictive sequence-to-function model of mRNA stability. mRNAs were designed to systematically vary translation rates, secondary structures, sequence compositions, G-quadruplexes, i-motifs, and RppH activity, resulting in mRNA half-lives from about 20 seconds to 20 minutes. We combined biophysical models and machine learning to develop steady-state and kinetic decay models of mRNA stability with high accuracy and generalizability, utilizing transcription rate models to identify mRNA isoforms and translation rate models to calculate ribosome protection. Overall, the developed model quantifies the key interactions that collectively control mRNA stability in bacterial operons and predicts how changing mRNA sequence alters mRNA stability, which is important when studying and engineering bacterial genetic systems.

Cetnar, Daniel 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 ↗
DOE OSTI2024

Structural and biophysical insights into targeting of claudin-4 by a synthetic antibody fragment

Claudins are a 27-member family of ~25 kDa membrane proteins that integrate into tight junctions to form molecular barriers at the paracellular spaces between endothelial and epithelial cells. As the backbone of tight junction structure and function, claudins are attractive targets for modulating tissue permeability to deliver drugs or treat disease. However, structures of claudins are limited due to their small sizes and physicochemical properties—these traits also make therapy development a challenge. Here we report the development of a synthetic antibody fragment (sFab) that binds human claudin-4 and the determination of a high-resolution structure of it bound to claudin-4/enterotoxin complexes using cryogenic electron microscopy. Structural and biophysical results reveal this sFabs mechanism of select binding to human claudin-4 over other homologous claudins and establish the ability of sFabs to bind hard-to-target claudins to probe tight junction structure and function. The findings provide a framework for tight junction modulation by sFabs for tissue-selective therapies.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

APACE: AlphaFold2 and advanced computing as a service for accelerated discovery in biophysics

The prediction of protein 3D structure from amino acid sequence is a computational grand challenge in biophysics and plays a key role in robust protein structure prediction algorithms, from drug discovery to genome interpretation. The advent of AI models, such as AlphaFold, is revolutionizing applications that depend on robust protein structure prediction algorithms. To maximize the impact, and ease the usability, of these AI tools we introduce APACE, AlphaFold2 and advanced computing as a service, a computational framework that effectively handles this AI model and its TB-size database to conduct accelerated protein structure prediction analyses in modern supercomputing environments. We deployed APACE in the Delta and Polaris supercomputers and quantified its performance for accurate protein structure predictions using four exemplar proteins: 6AWO, 6OAN, 7MEZ, and 6D6U. Using up to 300 ensembles, distributed across 200 NVIDIA A100 GPUs, we found that APACE is up to two orders of magnitude faster than off-the-self AlphaFold2 implementations, reducing time-to-solution from weeks to minutes. This computational approach may be readily linked with robotics laboratories to automate and accelerate scientific discovery.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Development of a plant carbon–nitrogen interface coupling framework in a coupled biophysical-ecosystem–biogeochemical model (SSiB5/TRIFFID/DayCent-SOM v1.0)

Plant and microbial nitrogen (N) dynamics and N availability regulate the photosynthetic capacity and capture, allocation, and turnover of carbon (C) in terrestrial ecosystems. Studies have shown that a wide divergence in representations of N dynamics in land surface models leads to large uncertainties in the biogeochemical cycle of terrestrial ecosystems and then in climate simulations as well as the projections of future trajectories. In this study, a plant C–N interface coupling framework is developed and implemented in a coupled biophysical-ecosystem–biogeochemical model (SSiB5/TRIFFID/DayCent-SOM v1.0). The main concept and structure of this plant C–N framework and its coupling strategy are presented in this study. This framework takes more plant N-related processes into account. The dynamic ratio (CNR) for each plant functional type (PFT) is introduced to consider plant resistance and adaptation to N availability to better evaluate the plant response to N limitation. Furthermore, when available N is less than plant N demand, plant growth is restricted by a lower maximum carboxylation capacity of RuBisCO (V c,max ), reducing gross primary productivity (GPP). In addition, a module for plant respiration rates is introduced by adjusting the respiration with different rates for different plant components at the same N concentration. Since insufficient N can potentially give rise to lags in plant phenology, the phenological scheme is also adjusted in response to N availability. All these considerations ensure a more comprehensive incorporation of N regulations to plant growth and C cycling. This new approach has been tested systematically to assess the effects of this coupling framework and N limitation on the terrestrial carbon cycle. Long-term measurements from flux tower sites with different PFTs and global satellite-derived products are employed as references to assess these effects. The results show a general improvement with the new plant C–N coupling framework, with more consistent emergent properties, such as GPP and leaf area index (LAI), compared to the observations. The main improvements occur in tropical Africa and boreal regions, accompanied by a decrease in the bias in global GPP and LAI by 16.3 % and 27.1 %, respectively.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1972

Inversion of radiation data in biophysics

Topics in biophysics are summarized in which radiation data inversion problems occur. The topics fall into two main categories. The first relates to information acquired about the distance environment through seeing, hearing, etc. The second relates to the use of electromagnetic, acoustic, or other radiation for diagnostic purposes, either at a bulk or a molecular level.

Twersky, V.↗
NASA NTRS1985

Estimation of biophysical properties of forest canopies through inversion of microwave scatterometer data

A method for estimating the biophysical properties of a forest canopy through inversion of microwave scatterometer data is discussed. A C-band scatterometer flown over an aspen site in northern Minnesota during 19 days from May 2 to October 20, 1984, was modified to enable continuous recording of the range of the target. This provided the backscatter cross section as a function of range and was used to study scattering processes within the canopy. The remote estimates of HH, VV, and HV extinction coefficient values agreed well with the estimates obtained with the use of an active radar calibrator.

Pitts, D. E.↗
NASA NTRS1987

Canopy reflectance, photosynthesis, and transpiration. II - The role of biophysics in the linearity of their interdependence

The ability of satellite sensor systems to estimate area-averaged canopy photosynthetic and transpirative properties is evaluated. The near linear relationship between the simple ratio (SR) and normalized difference (ND) and the surface biophysical properties of canopy photosynthetically active radiation (PAR) absorption, photosynthesis, and bulk stomatal resistance is studied. The models utilized to illustrate the processes of canopy reflectance, photosynthesis, and resistance are described. The dependence of SR, the absorbed fraction of PAR, and canopy photosynthesis and resistance on total leaf area index is analyzed. It is noted that the SR and ND vegetation indices and vegetation-dependent qualities are near-linearly related due to the proportion of leaf scattering coefficient in visible and near IR wavelength regions. The data reveal that satellite sensor systems are useful for the estimation of photosynthesis and transpirative properties.

Sellers, P. J.↗
NASA NTRS1992

Biophysical, morphological, canopy optical property, and productivity data from the Superior National Forest

Described here are the results of a NASA field experiment conducted in the Superior National Forest near Ely, Minnesota, during the summers of 1983 and 1984. The purpose of the experiment was to examine the use of remote sensing to provide measurements of biophysical parameters in the boreal forests. Leaf area index, biomass, net primary productivity, canopy coverage, overstory and understory species composition data are reported for about 60 sites, representing a range of stand density and age for aspen and spruce. Leaf, needle, and bark high-resolution spectral reflectance and transmittance data are reported for the major boreal forest species. Canopy bidirectional reflectance measurements are provided from a helicopter-mounted Barnes Multiband Modular Radiometer (MMR) and the Thematic Mapper Simulator (TMS) on the NASA C-130 aircraft.

Hall, F. G.↗
NASA NTRS1991

Biophysical information in asymmetric and symmetric diurnal bidirectional canopy reflectance

The authors present a theory for partitioning the information content in diurnal bidirectional reflectance measurements in order to detect differences potentially related to biophysical variables. The theory, which divides the canopy reflectance into asymmetric and symmetric functions of solar azimuth angle, attributes asymmetric variation to diurnal changes in the canopy biphysical properties. The symmetric function is attributed to the effects of sunlight interacting with a hypothetical average canopy which would display the average diurnal properties of the actual canopy. The authors analyzed radiometer data collected diurnally in the Thematic Mapper wavelength bands from two walnut canopies that received differing irrigation treatments. The reflectance of the canopies varied with sun and view angles and across seven bands in the visible, near-infrared, and middle infrared wavelength regions. Although one of the canopies was permanently water stressed and the other was stressed in mid-afternoon each day, no water stress signature was unambiguously evident in the reflectance data.

Vanderbilt, Vern C.↗
NASA NTRS1992

Covariance of biophysical data with digital topograpic and land use maps over the FIFE site

This paper discusses the biophysical stratification of the FIFE site, implementation of the stratification utilizing geographic information system methods, and validation of the stratification with respect to field measurements of biomass, Bowen ratio, soil moisture, and the greenness vegetation index (GVI) derived from TM satellite data. Maps of burning and topographic position were significantly associated with variation in GVI, biomass, and Bowen ratio. The stratified design did not significantly alter the estimated site-wide means for surface climate parameters but accounted for between 25 and 45 percent of the sample variance depending on the variable.

Davis, F. W.↗
NASA NTRS1992

Spectral vegetation indexes and the remote sensing of biophysical parameters

Combinations of remotely sensed data from different spectral bands have been combined into spectral vegetation indexes (SVIs) and used to determine biophysical parameters. The characteristics of two-band SVIs made up of visible and near-infrared reflectances are examined. Two canopy reflectance models, a turbid media model and a geometrical model, are used to study the effects of different canopy structures on the measurement of leaf area index and the fraction of photosynthetically intercepted active radiation.

Huemmrich, Karl F.↗
NASA NTRS1992

Retrieval of biophysical parameters with AVIRIS and ISM: The Landes Forest, south west France

The first steps of an experiment for investigating the capability of airborne spectrometer data for retrieval of biophysical parameters of vegetation, especially water conditions are presented. Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) and ISM data were acquired in the frame of the 1991 NASA/JPL and CNES campaigns on the Landes, South west France, a large and flat forest area with mainly maritime pines. In-situ measurements were completed at that time; i.e. reflectance spectra, atmospheric profiles, sampling for further laboratory analyses of elements concentrations (lignin, water, cellulose, nitrogen,...). All information was integrated in an already existing data base (age, LAI, DBH, understory cover,...). A methodology was designed for (1) obtaining geometrically and atmospherically corrected reflectance data, (2) registering all available information, and (3) analyzing these multi-source informations. Our objective is to conduct comparative studies with simulation reflectance models, and to improve these models, especially in the MIR.

Zagolski, F.↗
NASA NTRS1993

Biophysical characterization and surface radiation balance

The Kursk 1991 Experiment (KUREX-91) was conducted as one of a suite of international studies to develop capabilities to monitor global change. The studies were designed specifically to understand the earth's land-surface vegetation and atmospheric boundary layer interaction. An intensive field campaign was conducted at a site near Kursk, Russia during the month of July in 1991 by a team of international scientists to aid in the understanding of land-surface-atmosphere interactions in an agricultural/grassland setting. We were one of several teams of scientists participating at KUREX-91 at the Streletskaya Steppe Researve near Kursk, Russia. The main goals of our research were to: (1) characterize biophysical properties of the prairie vegetation; and (2) to characterize radiation regime through measurements and from estimates derived from canopy bidirectional reflectance data. Four objectives were defined to achieve these goals: (1) determine dependence of leaf optical properties on leaf water potential of some dominant species in discrete wavebands in the visible, near-infrared, and mid-infrared (spanning 0.4-2.3 microns range); (2) characterize the effective leaf area index (LAI) and leaf angle distribution of prairie vegetation; (3) characterize the radiation regime of the prairie vegetation through measures of the radiation balance components; and (4) examine, develop, and test methods for estimating albedo, APAR, and LAI from canopy bidirectional reflectance data. Papers which were the result of the research efforts are included.

Walter-Shea, Elizabeth A.↗