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NASA NTRS2007

Improving Access to MODIS Biophysical Science Products for NACP Investigators

MODIS 4 NACP is a NASA-funded project supporting the North American Carbon Program (NACP). The purpose of this Advancing Collaborative Connections for Earth-Sun System Science (ACCESS) project is to provide researchers with Moderate Resolution Imaging Spectroradiometer (MODIS) biophysical data products that are custom tailored for use in NACP model studies. Standard MODIS biophysical products provide used to improve our understanding on the climate and ecosystem changes. However, direct uses of the MODIS biophysical parameters are constrained by retrieval quality and cloud contamination. Another challenge that NACP users face is acquiring MODIS data in formats and at spatial-temporal resolutions consistent with other data sets they use. We have been working closely with key NACP users to tailor the MODIS products to fit their needs. First, we provide new temporally smoothed and spatially continuous MODIS biophysical data sets. Second, we are distributing MODIS data at suitable spatial-temporal resolutions and in formats consistent with other data integration into model studies.

Wolfe, Robert E.↗

NASA NTRS2017

Hyperspectral Radiative Transfer Modeling to Explore the Combined Retrieval of Biophysical Parameters and Canopy Fluorescence from FLEX - Sentinel-3 Tandem Mission Multi-Sensor Data

The FLuorescence EXplorer (FLEX) satellite mission, selected as ESA's 8th Earth Explorer, has been designed forthe measurement of sun-induced fluorescence (F) spectra emitted by plants. This will be accomplished through amulti-sensor approach by placing it in a common orbit in tandem with the Sentinel-3 (S3) mission, which willhave two optical sensors on board, OLCI (Ocean and Land Colour Instrument) and SLSTR (Sea and Land SurfaceTemperature Radiometer) to complement FLEX. These S3 instruments will be used in combination with theimaging spectrometers on board FLEX to provide data useful for atmospheric correction of FLEX data. However,a fully synergetic approach, i.e. by exploiting the spectral and directional information from all tandem missioninstruments together, is an attractive alternative which is explored in this paper. By employing all combined topof-atmosphere (TOA) spectral radiance data, one can (i) characterize the relevant optical properties of the atmosphere,(ii) retrieve biophysical canopy properties including the associated reflectance anisotropy, and (iii)retrieve a more accurate and consistent canopy F.Regarding retrieval methods, Fraunhofer Line Depth (FLD) and Spectral Fitting (SF) are well-known techniquesapplied to hyperspectral data. Both methods depend on a high spectral resolution and assume aLambertian (isotropic) canopy reflectance. However, most vegetation canopies are non-Lambertian. This impliesthat, in particular when ignoring the anisotropic surface reflection, substantial retrieval errors can occur due tothe interaction between atmospheric absorption bands and surface reflectance anisotropy. In this paper, a novelmethod based on spectral radiative transfer (RT) modeling is proposed, in which coupled RT models are used tosimulate TOA radiance spectra. These are then matched with â€˜measured' spectra in order to retrieve surfacefluorescence, along with a suite of biophysical parameters, by model inversion through optimization. By applyingcoupled RT models of the soil-leaf-canopy and the surface-atmosphere systems, TOA radiance spectra canbe simulated for all optical sensors of this tandem mission. In this way, complex effects due to surface reflectanceanisotropy and the spectral sampling by the various instruments, which are difficult to compensate for in the endproducts, are properly taken into account by their incorporation in the forward modeling. Next, by model inversionof TOA radiance data via optimization, the most accurate F retrievals can be achieved in a consistentmanner, along with important canopy level biophysical parameters that may help interpret the F spectrum, suchas chlorophyll content and leaf area index (LAI). The potential of this approach has been explored in a numericalexperiment, and the results are presented in this paper. We find that, with the assumed well-characterized andplausible FLEX/S3 instrument performances, the simultaneous retrieval of biophysical canopy parameters and Fspectra would be possible with a remarkable accuracy, provided the correct atmospheric characterization isavailable.

Verhoef, Wouter↗

NASA NTRS2018

Identifying and Forecasting Potential Biophysical Risk Areas within a Tropical Mangrove Ecosystem Using Multi-Sensor Data

Mangroves are one of the most productive ecosystems known for provisioning of various ecosystem goods and services. They help in sequestering large amounts of carbon, protecting coastline against erosion, and reducing impacts of natural disasters such as hurricanes. Bhitarkanika Wildlife Sanctuary in Odisha harbors the second largest mangrove ecosystem in India. This study used Terra, Landsat and Sentinel-1 satellite data for spatio-temporal monitoring of mangrove forest within Bhitarkanika Wildlife Sanctuary between 2000 and 2016. Three biophysical parameters were used to assess mangrove ecosystem health: leaf chlorophyll (CHL), Leaf Area Index (LAI), and Gross Primary Productivity (GPP). A long-term analysis of meteorological data such as precipitation and temperature was performed to determine an association between these parameters and mangrove biophysical characteristics. The correlation between meteorological parameters and mangrove biophysical characteristics enabled forecasting of mangrove health and productivity for year 2050 by incorporating IPCC projected climate data. A historical analysis of land cover maps was also performed using Landsat 5 and 8 data to determine changes in mangrove area estimates in years 1995, 2004 and 2017. There was a decrease in dense mangrove extent with an increase in open mangroves and agricultural area. Despite conservation efforts, the current extent of dense mangrove is projected to decrease up to 10% by the year 2050. All three biophysical characteristics including GPP, LAI and CHL, are projected to experience a net decrease of 7.7%, 20.83% and 25.96% respectively by 2050 compared to the mean annual value in 2016. This study will help the Forest Department, Government of Odisha in managing and taking appropriate decisions for conserving and sustaining the remaining mangrove forest under the changing climate and developmental activities.

Shanti Shrestha↗

DOE OSTI2026

Climate-Driven Divergence in Biophysical and Economic Impacts of Agrivoltaics

Increasing global demands for food and energy necessitate innovative land-use solutions. Agrivoltaics, colocating solar photovoltaics with agriculture, shows promise, but its widespread adoption faces complex biophysical and economic trade-offs in a changing climate. Here, we develop an integrated biophysical-economic modeling framework to quantify how agrivoltaics affect biophysical and economic impacts across the Midwestern United States under both current and project climate conditions. We find strong regional divergences driven by climate gradients. In the humid eastern Midwest, solar panel shading limits photosynthesis, leading to reduced yields (maize -24%; soybean -16%) and lower farmers' profitability (maize -16%; soybean -2%) compared to conventional agriculture. Conversely, in the semiarid western region, shading alleviates heat and water stress, moderating yield reductions for maize (-12%) and even boosting soybean yields (+6%), resulting in improved economic returns (-6% for maize; +9% for soybean), for a scenario with 33% photovoltaic ground coverage ratio. Although agrivoltaics generate substantial electrical energy across all regions, high upfront installation costs challenge solar developers compared to standalone solar photovoltaics. However, our analysis identifies “win-win” opportunities where soybean-based agrivoltaics in the semiarid region produce economic benefits for both farmers and solar developers, highlighting the necessity for region-specific designs tailored to local climate conditions. Critically, future climate projections indicate eastward expansion of semiarid conditions, broadening areas where agrivoltaics can mitigate crop yield penalties (even boosting yield) and improve overall profitability, especially under high-emission scenarios. The results provide a mechanistic and economically integrated understanding essential for developing evidence-based and region-specific strategies to scale agrivoltaics in a changing climate.

14 SOLAR ENERGY↗

DOE OSTI2020

Integrated Biophysical Modeling and Image Analysis: Application to Neuro-Oncology

Central nervous system (CNS) tumors come with vastly heterogeneous histologic, molecular, and radiographic landscapes, rendering their precise characterization challenging. The rapidly growing fields of biophysical modeling and radiomics have shown promise in better characterizing the molecular, spatial, and temporal heterogeneity of tumors. Integrative analysis of CNS tumors, including clinically acquired multi-parametric magnetic resonance imaging (mpMRI) and the inverse problem of calibrating biophysical models to mpMRI data, assists in identifying macroscopic quantifiable tumor patterns of invasion and proliferation, potentially leading to improved (a) detection/segmentation of tumor subregions and (b) computer-aided diagnostic/prognostic/predictive modeling. This article presents a summary of (a) biophysical growth modeling and simulation,(b) inverse problems for model calibration, (c) these models' integration with imaging workflows, and (d) their application to clinically relevant studies. We anticipate that such quantitative integrative analysis may even be beneficial in a future revision of the World Health Organization (WHO) classification for CNS tumors, ultimately improving patient survival prospects.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Editorial: Advances in computational molecular biophysics

This special issue of BBA is dedicated to Dr. Jeremy C. Smith on the occasion of his 60th birthday and his more than three decades as a practitioner of computational molecular biophysics. The special issue showcases cutting-edge work in computational molecular biophysics. The senior authors of the manuscripts in this issue are Dr. Smith’s previous or present collaborators. Their articles reflect Dr. Smith’s distinguished career integrating experimental and molecular simulation approaches into a unified description of the function, structure, and dynamics of biomolecules. Each of the articles presented here illustrates one aspect of the broad nature of computational molecular biophysics.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

Nanopore occlusion: A biophysical mechanism for bipolar cancellation in cell membranes

Highlights: • Cell experiments show that a first electrical pulse can be partially reversed by a second pulse. • Bipolar cancellation (BPC) of electrical effects in cells has defied biophysical mechanistic explanation. • For the first time we describe a successful model based on biophysical mechanisms. • The model's basis is {sup o}cclusion of nanopores{sup }by external molecules. • The model may be sufficiently general that BPC will prove to be essentially universal (BPC). Extraordinarily large but short electric field pulses are reported by many experiments to cause bipolar cancellation (BPC). This unusual cell response occurs if a first pulse is followed by a second pulse with opposite polarity. Possibly universal, BPC presently lacks a mechanistic explanation. Multiple versions of the “standard model” of cell electroporation (EP) fail to account for BPC. Here we show, for the first time, how an extension of the standard model can account for a key experimental observation that essentially defines BPC: the amount of a tracer that enters a cell, and how tracer influx can be decreased by the second part of a bipolar pulse. The extended model can also account for the recovery of BPC wherein the extent of BPC is diminished if the spacing between the first and second pulses is increased. Our approach is reverse engineering, meaning that we identify and introduce an additional biophysical mechanism that allows pore transport to change. We hypothesize that occluding molecules from outside the membrane enter or relocate within a pore. Significantly, the additional mechanism is fundamental and general, involving a combination of partitioning and hindrance. Molecules near the membrane can enter pores to block transport of tracer molecules while still passing small ions (charge number ±1) that govern electrical behavior. Our extension of the standard model accounts for key BPC behavior.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

Elucidating lipid nanoparticle properties and structure through biophysical analyses

Designing lipid nanoparticle (LNP) delivery systems with specific targeting, potency and minimal side effects is crucial for their clinical use. However, traditional characterization methods, such as dynamic light scattering, cannot accurately quantify physicochemical properties of LNPs and how these are influenced by the lipid composition and mixing method. Here, we structurally characterize polydisperse LNP formulations by applying emerging solution-based biophysical methods that have higher resolution and provide biophysical data beyond size and polydispersity. These techniques include sedimentation velocity analytical ultracentrifugation, field-flow fractionation followed by multiangle light scattering and size-exclusion chromatography in line with synchrotron small-angle X-ray scattering. Here, we show that LNPs have intrinsic polydispersity in size, RNA loading and shape, which depend on both the formulation technique and the lipid composition. Lastly, we predict LNP transfection in vitro and in vivo by examining the relationship between mRNA translation and physicochemical characteristics. Solution-based biophysical methods will be essential for determining LNP structure–function relationships, facilitating the creation of new design rules for LNPs.

36 MATERIALS SCIENCE↗

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 OSTI2020

Biophysical principles of choanoflagellate self-organization

Inspired by the patterns of multicellularity in choanoflagellates, the closest living relatives of animals, we quantify the biophysical processes underlying the morphogenesis of rosette colonies in the choanoflagellate Salpingoeca rosetta . We find that rosettes reproducibly transition from an early stage of 2-dimensional (2D) growth to a later stage of 3D growth, despite the underlying variability of the cell lineages. Our perturbative experiments demonstrate the fundamental importance of a basally secreted extracellular matrix (ECM) for rosette morphogenesis and show that the interaction of the ECM with cells in the colony physically constrains the packing of proliferating cells and, thus, controls colony shape. Simulations of a biophysically inspired model that accounts for the size and shape of the individual cells, the fraction of ECM, and its stiffness relative to that of the cells suffices to explain our observations and yields a morphospace consistent with observations across a range of multicellular choanoflagellate colonies. Overall, our biophysical perspective on rosette development complements previous genetic perspectives and, thus, helps illuminate the interplay between cell biology and physics in regulating morphogenesis.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Reaction-diffusion modeling provides insights into biophysical carbon-concentrating mechanisms in land plants

Carbon-concentrating mechanisms (CCMs) have evolved numerous times in photosynthetic organisms. They elevate the concentration of CO 2 around the carbon-fixing enzyme rubisco, thereby increasing CO 2 assimilatory flux and reducing photorespiration. Biophysical CCMs, like the pyrenoid-based CCM (PCCM) of Chlamydomonas reinhardtii or carboxysome systems of cyanobacteria, are common in aquatic photosynthetic microbes, but in land plants appear only among the hornworts. To predict the likely efficiency of biophysical CCMs in C 3 plants, we used spatially resolved reaction-diffusion models to predict rubisco saturation and light use efficiency. We found that the energy efficiency of adding individual CCM components to a C 3 land plant is highly dependent on the permeability of lipid membranes to CO 2 , with values in the range reported in the literature that are higher than those used in previous modeling studies resulting in low light use efficiency. Adding a complete PCCM into the leaf cells of a C 3 land plant was predicted to boost net CO 2 fixation, but at higher energetic costs than those incurred by photorespiratory losses without a CCM. Two notable exceptions were when substomatal CO 2 levels are as low as those found in land plants that already use biochemical CCMs and when gas exchange is limited, such as with hornworts, making the use of a biophysical CCM necessary to achieve net positive CO 2 fixation under atmospheric CO 2 levels. This provides an explanation for the uniqueness of hornworts' CCM among land plants and the evolution of pyrenoids multiple times.

Kaste, Joshua A. M.↗

DOE OSTI2020

Biophysical impacts of Earth greening largely controlled by aerodynamic resistance

Satellite observations show widespread increasing trends of leaf area index (LAI), known as the Earth greening. However, the biophysical impacts of this greening on land surface temperature (LST) remain unclear. Here, we quantify the biophysical impacts of Earth greening on LST from 2000 to 2014 and disentangle the contributions of different factors using a physically based attribution model. We find that 93% of the global vegetated area shows negative sensitivity of LST to LAI increase at the annual scale, especially for semiarid woody vegetation. Further considering the LAI trends (P ≤ 0.1), 30% of the global vegetated area is cooled by these trends and 5% is warmed. Aerodynamic resistance is the dominant factor in controlling Earth greening’s biophysical impacts: The increase in LAI produces a decrease in aerodynamic resistance, thereby favoring increased turbulent heat transfer between the land and the atmosphere, especially latent heat flux.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Prospects for Engineering Biophysical CO 2 Concentrating Mechanisms into Land Plants to Enhance Yields

Although cyanobacteria and algae represent a small fraction of the biomass of all primary producers, their photosynthetic activity accounts for roughly half of the daily CO 2 fixation that occurs on Earth. These microorganisms are able to accomplish this feat by enhancing the activity of the CO 2 -fixing enzyme Rubisco using biophysical CO 2 concentrating mechanisms (CCMs). Biophysical CCMs operate by concentrating bicarbonate and converting it into CO 2 in a compartment that houses Rubisco (in contrast with other CCMs that concentrate CO 2 via an organic intermediate, such as malate in the case of C 4 CCMs). This activity provides Rubisco with a high concentration of its substrate, thereby increasing its reaction rate. The genetic engineering of a biophysical CCM into land plants is being pursued as a strategy to increase crop yields. This review focuses on the progress toward understanding the molecular components of cyanobacterial and algal CCMs, as well as recent advances toward engineering these components into land plants.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Biophysical and biochemical evidence for the role of acetate kinases (AckAs) in an acetogenic pathway in pathogenic spirochetes

Unraveling the metabolism of Treponema pallidum is a key component to understanding the pathogenesis of the human disease that it causes, syphilis. For decades, it was assumed that glucose was the sole carbon/energy source for this parasitic spirochete. But the lack of citric-acid-cycle enzymes suggested that alternative sources could be utilized, especially in microaerophilic host environments where glycolysis should not be robust. Recent bioinformatic, biophysical, and biochemical evidence supports the existence of an acetogenic energy-conservation pathway in T . pallidum and related treponemal species. In this hypothetical pathway, exogenous D-lactate can be utilized by the bacterium as an alternative energy source. Herein, we examined the final enzyme in this pathway, acetate kinase (named TP0476), which ostensibly catalyzes the generation of ATP from ADP and acetyl-phosphate. We found that TP0476 was able to carry out this reaction, but the protein was not suitable for biophysical and structural characterization. We thus performed additional studies on the homologous enzyme (75% amino-acid sequence identity) from the oral pathogen Treponema vincentii , TV0924. This protein also exhibited acetate kinase activity, and it was amenable to structural and biophysical studies. We established that the enzyme exists as a dimer in solution, and then determined its crystal structure at a resolution of 1.36 Å, showing that the protein has a similar fold to other known acetate kinases. Mutation of residues in the putative active site drastically altered its enzymatic activity. A second crystal structure of TV0924 in the presence of AMP (at 1.3 Å resolution) provided insight into the binding of one of the enzyme’s substrates. On balance, this evidence strongly supported the roles of TP0476 and TV0924 as acetate kinases, reinforcing the hypothesis of an acetogenic pathway in pathogenic treponemes.

Deka, Ranjit K.↗

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.↗

NASA NTRS2003

Radiation dosimetry and biophysical models of space radiation effects

Estimating the biological risks from space radiation remains a difficult problem because of the many radiation types including protons, heavy ions, and secondary neutrons, and the absence of epidemiology data for these radiation types. Developing useful biophysical parameters or models that relate energy deposition by space particles to the probabilities of biological outcomes is a complex problem. Physical measurements of space radiation include the absorbed dose, dose equivalent, and linear energy transfer (LET) spectra. In contrast to conventional dosimetric methods, models of radiation track structure provide descriptions of energy deposition events in biomolecules, cells, or tissues, which can be used to develop biophysical models of radiation risks. In this paper, we address the biophysical description of heavy particle tracks in the context of the interpretation of both space radiation dosimetry and radiobiology data, which may provide insights into new approaches to these problems.

Review↗

NASA NTRS2020

Biophysical Impacts of Earth Greening Largely Controlled by Aerodynamic Resistance

Greening↗

DOE OSTI2025

Extreme hydroclimates amplify the biophysical effects of advanced green-up in temperate China

Vegetation phenology modulates climate by altering energy and water exchange between the land and atmosphere. However, how extreme hydroclimatic conditions modify these phenology-climate feedbacks is still poorly understood. Here, in this study, we used a land–atmosphere-coupled Weather Research and Forecasting model to explore the impacts of advanced green-up on air temperature under different hydroclimate conditions across temperate China and to Mechanistic analysis elucidate the underlying biophysical mechanisms. By imposing a 14-day earlier green-up in line with recent satellite observations, we found that under mean climate conditions, an earlier leaf-out induces immediate surface cooling of 0.14 °C during green-up and a lagging 0.02 °C warming during senescence averaged for temperate China. Extremely humid conditions amplify the cooling effects to 0.18 °C during green-up, extending this cooling into the senescence period. Conversely, under extremely arid conditions, earlier green-up cools air temperature by 0.09 °C, and amplified senescence warming to 0.16 °C. Mechanism analysis revealed that evapotranspiration-dominated non-radiative processes drive immediate cooling during green-up while radiation and circulation process dominates the delayed but opposite warming/cooling effects during senescence in extremely arid/humid hydroclimates. Given the projected continuation of warming trends and increased frequency of extreme climatic events, it is imperative to incorporate the biophysical effects of vegetation phenology into local climate adaptation strategies.

54 ENVIRONMENTAL SCIENCES↗