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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Comparing plant litter molecular diversity assessed from proximate analysis and 13 C NMR spectroscopy

Accurate representation of the chemical diversity of litter in ecosystem-scale models is critical for improving predictions of decomposition rates and stabilization of plant material into soil organic matter. In this contribution, we conducted a systematic review to evaluate how conventional characterization of plant litter quality using proximate analysis compares with molecular-scale characterization using 13 C NMR spectroscopy. Using a molecular mixing model, we converted chemical shift regions from NMR into fractions of carbon (C) in five organic compound classes that are major constituents of plant material: carbohydrates, proteins, lignins, lipids, and carbonylic compounds. We found positive correlations between the acid soluble fraction and carbohydrates, and between the acid insoluble fraction and lignins. However, the acid-soluble fraction underestimated carbohydrates, and the acid insoluble fraction overestimated lignins by 243%. We identified two sources of uncertainties: i) disparities between litter chemical composition based on hydrolysability and actual chemical composition obtained from NMR and ii) conversion factors to translate proximate fractions into organic constituents. Both uncertainties are critical, potentially leading to misinterpretations of decay rates in litter decomposition models. Consequently, we recommend including explicit substrate chemistry data in the next generation of litter decomposition models.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1983

Organic molecules as chemical fossils - The molecular fossil record

The study of biochemical clues to the early earth and the origin of life is discussed. The methods used in such investigation are described, including the extraction, fractionation, and analysis of geolipids and the analysis of kerogen. The occurrence of molecular fossils in the geological record is examined, discussing proposed precursor-product relationships and the molecular assessment of deep sea sediments, ancient sediments, and crude petroleums. Alterations in the molecular record due to diagenesis and catagenesis are considered, and the use of microbial lipids as molecular fossils is discussed. The results of searches for molecular fossils in Precambrian sediments are assessed.

Eglinton, G.↗
NASA NTRS1995

Models and molecular approaches to assessing the effects of the microgravity environment on vertebrate development

The extent to which gravity, and especially the lack thereof, can affect normal development in higher organisms is poorly understood. Underlying this question is the assumption that normal development depends on the embryo's ability to maintain a programmed temporal and spatial coordination of morphogenetic events. There are several reports documenting the apparently normal development of several vertebrate species, including mammals, under conditions of exposure to space flight during various periods of the development process. Evidence to the contrary also exists and it is therefore likely that some alterations in morphology do occur in a microgravity environment. Although subsequent development may appear overtly normal, more subtle abnormalities result. In all studies, the evaluation is restricted by the few numbers of specimens that can be examined and the relatively insensitive techniques for assessing potentially subtle effects. In the present discussion, we summarize some observations of mammalian development made in microgravity and consider which stages might be expected to be differentially sensitive to altered gravity conditions. While we emphasize mammalian development, we discuss the suitability of another model system for examining such effects in a cross-species context. Furthermore, we consider recent developments in our understanding of the molecular genetic program regulating embryogenesis that could serve as markers for assessing perturbations of development.

Cosmos 1129 Project↗
NASA NTRS2007

Risk Assessment of Radiation Exposure using Molecular Biodosimetry

Current cytogenetic biodosimetry methods would be difficult to adapt to spaceflight operations, because they require toxic chemicals and a substantial amount of time to perform. In addition, current biodosimetry techniques are limited to whole body doses over about 10cGy. Development of new techniques that assess radiation exposure response at the molecular level could overcome these limitations and have important implications in the advancement of biodosimetry. Recent technical advances include expression profiling at the transcript and protein level to assess multiple biomarkers of exposure, which may lead to the development of a radiation biomarker panel revealing possible fingerprints of individual radiation sensitivity. So far, many biomarkers of interest have been examined in their response to ionizing radiation, such as cytokines and members of the DNA repair pathway. New technology, such as the Luminex system can analyze many biomarkers simultaneously in one sample.

Elliott, Todd F.↗
NASA NTRS2020

Effects of Hydrogen Bonding and Molecular Chain Flexibility of Substituted n-Alkyldimethylsilanes On Impact Ice Adhesion Shear Strength

The effects of hydrogen bonding and molecular flexibility upon ice adhesion shear strength were investigated using aluminum substrates coated with substituted n-alkyldimethylalkoxysilanes. The location of the chemical group substitution was on the opposing end of the linear n-alkyl chain with respect to silicon. Three hydrogen-bonding characteristics were evaluated: 1) non-hydrogen bonding, 2) donor/acceptor, and 3) acceptor. Varying the length of the n-alkyl chain provided an assessment of molecular chain flexibility. Coated and uncoated aluminum surfaces were characterized by receding water contact angle and surface roughness. Ice adhesion shear strength was determined in the Adverse Environment Rotor Test Stand facility from -16 to -8°C that simulated aircraft in-flight icing conditions within the FAR Part 25/29 Appendix C icing envelope. Surface roughness of the coatings was similar allowing for comparison of the test results. An adhesion reduction factor, based on the ice adhesion shear strength data with respect to uncoated aluminum obtained at the same temperature, was calculated to compare the data. The results revealed complex interactions with impacting supercooled water droplets that were interdependent upon ice accretion temperature, surface energy characteristics of water and ice, hydrogen bonding characteristic of the substituent, and length of the n-alkyl chain. To aid in explaining the results, 1) changes in the surface energy component (i.e., non-polar and polar) values that water undergoes during its’ phase change from liquid to solid that arise from the freezing of impacting supercooled water droplets on the surface depended upon the temperature during accretion were taken into account and 2) the physical properties (i.e., water solubility and melting point) of small compounds analogous to the substituted n-alkyldimethylalkoxysilanes used in this study were compared.

Smith, Joseph G.↗
DOE OSTI2026

ENVnet provides a global molecular resource of dissolved organic matter

Dissolved organic matter (DOM) is an important component of Earth's carbon cycle and one of the planet's most chemically diverse pools, yet the molecular structures of its constituents remain largely unresolved. This limitation has hindered our ability to link DOM composition to microbial processes and ecosystem function. Here we present ENVnet, a global molecular repository built from tandem mass spectrometry data collected across 13 terrestrial and aquatic environment types, including 419 newly generated samples that expand publicly available DOM metabolomics data and cover previously underrepresented environments. By computationally deconvolving chimeric mass spectra, a longstanding challenge in environmental metabolomics, we recover high-quality fragmentation data for >22,000 distinct molecular features (defined by a specific precursor mass and fragmentation pattern). Using ENVnet, we uncover conserved and environment-specific molecular patterns in DOM composition and underlying biogeochemical processes. We also use molecular features encoded in ENVnet to train predictive models of DOM persistence, allowing molecular-level assessment of microbial turnover in independent systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Environmental DNA as a tool for hydropower impact assessments: current status, special considerations, and future integration

Globally there is an urgent need to find sustainable solutions to balance energy production with the protection of vulnerable species and conservation of biodiversity. This is particularly critical for freshwater ecosystems, habitats, and species that may be impacted by hydropower development and operations needed to meet energy grid demands. Reliable and accurate environmental impact assessments (EIAs) that identify the biological, physical, or social impacts of hydropower are key to ensure biodiversity, ecosystem, and societal sustainability. The analysis of environmental DNA (eDNA) has the potential to transform hydropower EIAs, management and mitigation planning, and decision-making procedures. Further, the incorporation of eDNA surveys into EIAs during both hydropower planning and continued operations may streamline regulatory processes by improving our understanding of potentially impacted biota and habitats and evaluating environmental impacts mitigation. Here, we: (i) highlight current understanding and use of eDNA in freshwater environments; (ii) examine critical considerations for eDNA integration into hydropower EIAs and biological monitoring; (iii) identify knowledge gaps in eDNA analysis and applications unique to hydropower-regulated systems; and (iv) discuss future opportunities to bolster the incorporation of eDNA into hydropower research including regulatory acceptance and public engagement. While we acknowledge that there are several factors that may complicate the broad adoption of eDNA as a tool for assessing the impacts of hydropower, we anticipate that growing confidence in eDNA through hydropower-specific protocols, calibrations, and validations will overcome these inherent uncertainties.

aquatic biodiversity↗
DOE OSTI2026

Development of Composite Photocatalyst Materials that are Highly Selective for Solar Hydrogen Production and their Evaluation in Z-Scheme Reactor Designs

The key technology gap preventing a vertically stacked dual-bed particle suspension reactor from achieving the DOE MYRD&D ultimate cost target for H 2 production remains the lack of materials in particle form factor that exhibit ≥10% solar-to-H 2 energy conversion (STH) efficiency as a suspension. Therefore, our project goals centered around strategies to increase the STH efficiency by enhancing photophysical properties of perovskite oxide particles including increased visible-light absorption, increased selectivity for electrocatalysis of the H 2 evolution reaction (HER) and the O 2 evolution reaction (OER) through development of ultrathin oxide coatings, correlating composition and structure to function, and improving understanding of multiscale transport and kinetic processes.

08 HYDROGEN↗
NASA NTRS2001

Cancer Detection Using Neural Computing Methodology

This paper describes a novel learning methodology used to analyze bio-materials. The premise of this research is to help pathologists quickly identify anomalous cells in a cost efficient method. Skilled pathologists must methodically, efficiently and carefully analyze manually histopathologic materials for the presence, amount and degree of malignancy and/or other disease states. The prolonged attention required to accomplish this task induces fatigue that may result in a higher rate of diagnostic errors. In addition, automated image analysis systems to date lack a sufficiently intelligent means of identifying even the most general regions of interest in tissue based studies and this shortfall greatly limits their utility. An intelligent data understanding system that could quickly and accurately identify diseased tissues and/or could choose regions of interest would be expected to increase the accuracy of diagnosis and usher in truly automated tissue based image analysis.

liquid crystal tunable filters↗
NASA NTRS2008

Cleaning Genesis Solar Wind Collectors with Ultrapure Water: Residual Contaminant Particle Analysis

Additional experience has been gained in removing contaminant particles from the surface of Genesis solar wind collectors fragments by using megasonically activated ultrapure water (UPW)[1]. The curatorial facility has cleaned six of the eight array collector material types to date: silicon (Si), sapphire (SAP), silicon-on-sapphire (SOS), diamond-like carbon-on-silicon (DOS), gold-on-sapphire (AuOS), and germanium (Ge). Here we make estimates of cleaning effectiveness using image analysis of particle size distributions and an SEM/EDS reconnaissance of particle chemistry on the surface of UPW-cleaned silicon fragments (Fig. 1). Other particle removal techniques are reported by [2] and initial assessment of molecular film removal is reported by [3].

Allton, J. H.↗
NASA NTRS2006

Genesis Solar Wind Sample Curation: A Progress Report

In the year since the Genesis solar wind collector fragments were returned, early science samples, specimens for cleaning experiments, and science allocations have been distributed. Solar wind samples are stored under nitrogen and handled in an ISO Class 4 (Class 10) laboratory. For array collector fragments, a basic characterization process has been established. This characterization consists of identification of solar wind regime, whole fragment image for identification and surface quality, higher magnification images for contaminant particle density, and assessment of molecular film contaminant thickness via ellipsometry modeling. Compilations of this characterization data for AuOS (gold film on sapphire), and sapphire from the bulk solar wind for fragments greater than 2 cm are available. Removal of contaminant particles using flowing ultrapure water (UPW) energized megasonically is provided as requested.

Allton, Judith H.↗
NASA NTRS2015

Spaceflight Causes Increased Virulence of Serratia Marcescens on a Drosophila Melanogaster Host

Drosophila melanogaster, or the fruit fly, has long been an important organism for Earth-based research, and is now increasingly utilized as a model system to understand the biological effects of spaceflight. Studies in Drosophila melanogaster have shown altered immune responses in 3rd instar larvae and adult males following spaceflight, changes similar to those observed in astronauts. In addition, spaceflight has also been shown to affect bacterial physiology, as evidenced by studies describing altered virulence of Salmonella typhimurium following spaceflight and variation in biofilm growth patterns for the opportunistic pathogen Pseudomonas aeruginosa during flight. We recently sent Serratia marcescens Db11, a Drosophila pathogen and an opportunistic human pathogen, to the ISS on SpaceX-5 (Fruit Fly Lab-01). S. marcescens samples were stored at 4degC for 24 days on-orbit and then allowed to grow for 120 hours at ambient station temperature before being returned to Earth. Upon return, bacteria were isolated and preserved in 50% glycerol or RNAlater. Storage, growth, and isolation for ground control samples were performed using the same procedures. Spaceflight and ground samples stored in 50% glycerol were diluted and injected into 5-7-day-old ground-born adult D. melanogaster. Lethality was significantly greater in flies injected with the spaceflight samples compared to those injected with ground bacterial samples. These results indicate a shift in the virulence profile of the spaceflight S. marcescens Db11 and will be further assessed with molecular biological analyses. Our findings strengthen the conclusion that spaceflight impacts the virulence of bacterial pathogens on model host organisms such as the fruit fly. This research was supported by NASA's ISS Program Office (ISSPO) and Space Life and Physical Sciences Research and Applications (SLPSRA).

Serratia marcescens↗
DOE OSTI2024

Enhancing Biopreparedness through a Model System to Understand the Molecular Mechanisms that Lead to Pathogenesis and Disease Transmission: NW-BRaVE

The science of biopreparedness to counter biological threats hinges on understanding the fundamental principles and molecular mechanisms that lead to pathogenesis and disease transmission. Our vision to address this challenge is to create a powerful and user-friendly platform to elucidate the fundamental principles of how molecular interactions drive pathogen-host relationships and host shifts. We will enable groundbreaking discoveries by integrating a wide range of structural, genomics, proteomics, and other advanced omics measurements, along with evolutionary and artificial intelligence predictions. To make sure the system is applicable to real-world problems, we will develop it in the context of a tractable model system, the small, abundant, and accessible photosynthetic cyanobacteria and their constantly co-adapting viral pathogens, cyanophages. This model will maintain the system’s applicability to real-world problems and techniques, but the overall focus will be on elucidating general principles of detecting, assessing, and surveilling molecular interaction, adaptation, and coevolution that are system agnostic and therefore extensible to other viral-host interactions. Our overall objectives are to (1) identify the molecular complexes that comprise the cyanobacteria redox macromolecular subsystem and how they dynamically change with bacteriophage infection in situ, using cryo-electron tomography; (2) profile regulatory changes during infection using proteomics, multiomics, and experimental validation, and integrate the data with in situ structures; (3) use genomics and metagenomics to determine environmental and population factors across time scales that impact the interactions between marine cyanobacteria and their cyanophage parasites, predicting the evolutionary origins of in situ structural and functional interactions, convergence and coevolution; and (4) develop a data integration and transformation platform that facilitates the integration of in situ, proteomic, and evolutionary measurements of molecular interactions to surveil diverse hosts and parasites in various environmental contexts. These objectives address Focus Area 2 Reveal Molecular Interactions Across Biological Scales for Design of Targeted Interventions. Our powerful and user-friendly platform will enhance connections between the often-siloed fields of structure, molecular phenotype, and evolutionary genomics that are key to biopreparedness, but in need of integration (Figure 1). We will build an integrated navigation tool to facilitate the effective use of globally distributed experimental data for integrated analysis and predictive modeling. The project will develop, implement, and test a platform to assess host-pathogen molecular interactions, adaptation to hosts and host shifts, and coevolution between hosts and pathogens, successfully impacting the research community by revolutionizing abilities to study any host-pathogen interaction, encourage diverse community contributions, and gain fundamental insights into how proteins adapt to new contexts. This ability will be critical for designing early interventions to address future threats. We will build surveillance training capability, aiming for a fair and equitable response to future pandemics and biothreats.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Investigating Lignin Aggregation and Interactions with Solvents during γ-Valerolactone (GVL) Pretreatment: A Combined Small Angle Neutron Scattering and Molecular Simulations Study

The strong tendency of lignin to aggregate in solution, coupled with limited understanding of how its molecular structure governs this behavior, hinders its effective utilization in biorefineries. Here, in this study, we investigated the solution behavior of lignin extracted from poplar using γ-valerolactone/water (GVL/H2O, 9:1 wt/wt) through combined small-angle neutron scattering (SANS) and molecular dynamics (MD) simulations. Lignin samples obtained at 100 °C (L100) and 120 °C (L120) differed in β–O–4 content, hydroxyl distribution, and S/G ratio, enabling direct assessment of how molecular composition governs solvation and aggregation. SANS showed that L120 formed rigid and elongated cylindrical aggregates at 25 °C that transitioned to more flexible spheroidal structures by 50 °C and remained stable up to 80 °C, whereas L100 adopted globular aggregates that progressively collapsed with increasing temperature. MD simulations reinforced these observations by showing that S-rich (L120-like) oligomers had larger radii of gyration, stronger solvent coordination driven by methoxy groups, and fewer lignin–lignin contacts. In contrast, G-rich (L100-like) oligomers displayed persistent aggregation and lower solubility. Collectively, these results reveal that increased aromatic methoxylation enhances lignin–solvent interactions and suppresses self-association, whereas reduced methoxylation and higher β–O–4 content promote persistent aggregation into colloid-like structures with restricted solvent penetration into the aggregate interior.

biorefinery pretreatment↗
NASA NTRS1991

An engineering assessment of gas/surface interactions in free-molecular aerodynamics

Data available on the gas/surface interaction (GSI) phenomenon, particularly in the rarefied to near-free-molecular flow regime are collected, categorized, and analyzed with a purpose of developing a GSI model that could be used as a guide to spacecraft designers. The study shows that there are not enough useful data for building a high-confidence GSI model. However, sufficient results are obtained to suggest that continued reliance on the diffuse GSI model is inappropriate, particularly in the near-free-molecular regime.

Knox, E. C.↗