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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 OSTI2025

Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes

The photoreaction and commensurate structural changes of a chromophore within biological photoreceptors elicit conformational transitions of the protein promoting the switch between deactivated and activated states. We investigated how this coupling is achieved in a bacterial phytochrome variant, Agp2-PAiRFP2. Contrary to classical protein crystallography, which only allows probing (cryo-trapped) stable states, we have used time-resolved serial femtosecond x-ray crystallography (tr-SFX) and pump-probe techniques with various illumination and delay times with respect to photoexcitation of the parent Pfr state. Thus, structural data for seven time frames were sorted into groups of molecular events along the reaction coordinate. They range from chromophore isomerization to the formation of Meta-F, the intermediate that precedes the functional relevant secondary structure transition of the tongue. Structural data for the early events were used to calculate the photoisomerization pathway to complement the experimental data. Late events allow identifying the molecular switch that is linked to the intramolecular proton transfer as a prerequisite for the following structural transitions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Macroscale structural changes of thylakoid architecture during high light acclimation in Chlamydomonas reinhardtii

Abstract Photoprotection mechanisms are ubiquitous among photosynthetic organisms. The photoprotection capacity of the green alga Chlamydomonas reinhardtii is correlated with protein levels of stress-related light-harvesting complex (LHCSR) proteins, which are strongly induced by high light (HL). However, the dynamic response of overall thylakoid structure during acclimation to growth in HL has not been fully understood. Here, we combined live-cell super-resolution microscopy and analytical membrane subfractionation to investigate macroscale structural changes of thylakoid membranes during HL acclimation in Chlamydomonas . Subdiffraction-resolution live-cell imaging revealed that the overall thylakoid structures became thinned and shrunken during HL acclimation. The stromal space around the pyrenoid also became enlarged. Analytical density-dependent membrane fractionation indicated that the structural changes were partly a consequence of membrane unstacking. The analysis of both an LHCSR loss-of-function mutant , npq4 lhcsr1 , and a regulatory mutant that over-expresses LHCSR, spa1-1 , showed that structural changes occurred independently of LHCSR protein levels, demonstrating that LHCSR was neither necessary nor sufficient to induce the thylakoid structural changes associated with HL acclimation. In contrast, stt7-9 , a mutant lacking a kinase of major light-harvesting antenna proteins, had a slower thylakoid structural response to HL relative to all other lines tested but still showed membrane unstacking. These results indicate that neither LHCSR- nor antenna-phosphorylation-dependent HL acclimation are required for the observed macroscale structural changes of thylakoid membranes in HL conditions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Structural Changes in YBa 2 Cu 3 O 7 Thin Films Modified with He + -Focused Ion Beam for High-Temperature Superconductive Nanoelectronics

Irradiation of high-temperature superconductor YBa 2 Cu 3 O 7 (YBCO) with high-energy He + ions is known to cause structural changes in the YBCO film, decreasing the critical temperature T C and finally leading to a superconductor-to-insulator transition. Here, this allows one to pattern narrow insulating regions with a focused ion beam (FIB) and thus fabricate nanoscale Josephson junctions on YBCO films. Moreover, such ion irradiation is known to cause structural changes in the YBCO film. However, details of how these structural changes occur in nanoscale devices produced by FIB remain unknown. Using nanofocus X-ray diffraction, we study the changes in the YBCO crystal lattice and investigate how the nature of these changes depends on the size of the irradiated regions. These data provide an important understanding of how oxide superconductors can be tailored at the nanometer scale for various applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

Measuring the dynamics of structural changes in biological macromolecules from light scattering data

Examining techniques to study the dynamics of structural changes in various molecules has been an ongoing goal of the space program. Knowing how these phenomena occur in biological systems is fundamental to understanding what is necessary for life to remain functional in the space environment. A hierarchy of biological organization is functionally described when cells join together small organic molecules to form larger and more complex molecules. Characterizing the architecture of a particular macromolecule helps determine how that molecule works in the living cell and is basic to the diversity of life. Understanding this arrangement involves the correlation of the structure of macromolecules with their functions. A light scattering photometer was developed for detecting continuous measurement of the angular spectrum of light scattered by dynamically changing systems. The analysis of light scattered by biological macromolecules can be used to determine concentration, size, shape, molecular weight, and structural changes of cells, such as erythrocytes. Some light scattering photometers can collect and store 120 angular scattering spectra per minute, with an angular resolution of 0.2 deg which can be displayed with computer graphics. The light scattering photometer does the following: functions to produce and detect scattered light; determines scatter angles; and collects, stores, and analyzes data.

Johnson, Adriel D.↗
NASA NTRS1984

Structural changes during milling of aluminum oxide powders

The mechanical activation of four fused corundum powders and a calcined Al2O3 powder was studied. The milled powders were characterized by their structural properties, crystallite size, and lattice distortions. Structural changes during milling, detected by X-ray line broadening analysis, gave information about the enhanced activity of the powders caused by the lattice distortions and by the decreasing crystallite size during milling. The structural changes during milling, under the same milling conditions, can be quite different for the same ceramic material, but with different characteristics in the as received state.

Ziepler, G.↗
DOE OSTI2025

Confocal Raman Microscopy for Measuring In Situ Temperature-Dependent Structural Changes in Poly(Ethylene Oxide) Thin Films

Crystallization from the melt is a critical process governing the properties of semi-crystalline polymeric materials. While structural analyses of melting and crystallization transitions in bulk polymers have been widely reported, in contrast, those in thin polymer films on solid supports have been underexplored. Herein, in situ Raman microscopy and self-modeling curve resolution (SMCR) analysis are applied to investigate the temperature-dependent structural changes in poly(ethylene oxide) (PEO) films during melting and crystallization phase transitions. By resolving complex overlapping sets of spectra, SMCR analysis reveals that the thermal transitions of 50 µm thick PEO films comprise two structural phases: an ordered crystalline phase and a disordered amorphous phase. The ordered structure of the crystalline PEO film entirely disappears as the polymer is heated; conversely, the disordered structure of the amorphous PEO film reverts to the ordered structure as the polymer is cooled. Broadening of the Raman bands was observed in PEO films above the melting temperature (67 °C), while sharpening of bands was observed below the crystallization temperature (45 °C). The temperatures at which these spectral changes occurred were in good agreement with differential scanning calorimetry (DSC) measurements, especially during the melting transition. The results illustrate that in situ Raman microscopy coupled with SMCR analysis is a powerful approach for unraveling complex structural changes in thin polymer films during melting and crystallization processes. Furthermore, we show that confocal Raman microscopy opens opportunities to apply the methodology to interrogate the structural features of PEO or other surface-supported polymer films as thin as 2 µm, a thickness regime beyond the reach of conventional thermal analysis techniques.

Koh, Miharu [Department of Chemistry, University o↗
NASA NTRS1983

Fine-structural changes in the midgut of old Drosophila melanogaster

Senescent fine-structural changes in the midgut of Drosophila melanogaster are investigated. A large number of midgut mitochondria in old flies exhibit nodular cristae and a tubular system located perpendicular to the normal cristae orientation. Anterior intestinal cells show a senescent accumulation of age pigment, either with a surrounding two-unit membrane or without any membrane. The predominant localization of enlarged mitochondria and pigment in the luminal gut region may be related to the polarized metabolism of the intestinal cells. Findings concur with previous observations of dense-body accumulations and support the theory that mitochondria are involved in the aging of fixed post-mitotic cells. Demonstrated by statistical analyses is that mitochondrial size increase is related to mitochondrial variation increase.

Anton-Erxleben, F.↗
NASA NTRS1986

Illustration of the use of modal assurance criterion to detect structural changes in an Orbiter test specimen

The analysis of empirical modal models of structural components using techniques based on the modal assurance criterion (MAC) defined by Ewins (1984) is discussed and demonstrated for the case of the Space Shuttle Orbiter aft bulkhead. Modal models of the bulkhead are constructed before and after environmental acoustic tests equivalent to 30 or 100 missions and compared (by computing their MACs) to detect significant structural changes; subdivision of the modal vector followed by computation of the MAC for each part is used to localize the changes. Numerical data demonstrating the usefulness of the MAC approach are presented in tables and diagrams.

West, Walter M.↗
NASA NTRS1995

A Method Based on Radiative Cooling for Detecting Structural Changes in Undercooled Metallic Liquids

We introduce a structure-sensitive parameter for undercooled melts which can be measured in containerless processing experiments. We have established that the ratio, R(T), of hemispherical total emissivity epsilon(sub T)(T) to constant-pressure specific heat c(sub p)(T) can serve as an indicator which is sensitive to any changes in short range atomic order in undercooled metallic melts. R(T) (triple bonds) epsilon(sub T)(T)/c(sub p)(T) values for nickel, zirconium, and silicon have been obtained using the high temperature electrostatic levitator while the levitated melts were undergoing purely radiative cooling into the deeply undercooled region. R(T) plots for undercooled liquid nickel and zirconium indicate no significant change in short-range structure from their melting temperatures to 15% undercooling. In contrast, liquid silicon shows marked short-range structural changes beginning above its melting temperature and extending throughout the undercooled region. The short-range structure of liquid silicon is related to the highly-directional covalent bonding which characterizes its solid form. The nickel and zirconium data show that epsilon(sub T) varies linearly with T, in support of metal emissivity theories.

Rulison, Aaron J.↗
DOE OSTI2023

4D structural changes and pore network model of biomass during pyrolysis

Biochar is an engineered carbon-rich substance used for soil improvement, environmental management, and other diverse applications. To date, the understanding of how biomass affects biochar microstructure has been limited due to the complexity of analysis involved in tracing the changes in the physical structure of biomass as it undergoes thermochemical conversion. In this study, we used synchrotron x-ray micro-tomography to visualize changes in the internal structure of biochar from diverse feedstock (miscanthus straw pellets, wheat straw pellets, oilseed rape straw pellets, and rice husk) during pyrolysis by collecting a sequence of 3D scans at 50 °C intervals during progressive heating from 50 °C to 800 °C. The results show a strong dependence of biochar porosity on feedstock as well as pyrolysis temperature, with observed porosity in the range of 7.41–60.56%. Our results show that the porosity, total surface area, pore volume, and equivalent diameter of the largest pore increases with increasing pyrolysis temperature up to about 550 °C. The most dramatic development of pore structure occurred in the temperature range of 350–450 °C. This understanding is pivotal for optimizing biochar’s properties for specific applications in soil improvement, environmental management, and beyond. By elucidating the nuanced variations in biochar’s physical characteristics across different production temperatures and feedstocks, this research advances the practical application of biochar, offering significant benefits in agricultural, environmental, and engineering contexts.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2004

A Method for Incorporating Changing Structural Characteristics Due to Propellant Mass Usage in a Launch Vehicle Ascent Simulation

Launch vehicles consume large quantities of propellant quickly, causing the mass properties and structural dynamics of the vehicle to change dramatically. Currently, structural load assessments account for this change with a large collection of structural models representing various propellant fill levels. This creates a large database of models complicating the delivery of reduced models and requiring extensive work for model changes. Presented here is a method to account for these mass changes in a more efficient manner. The method allows for the subtraction of propellant mass as the propellant is used in the simulation. This subtraction is done in the modal domain of the vehicle generalized model. Additional computation required is primarily for constructing the used propellant mass matrix from an initial propellant model and further matrix multiplications and subtractions. An additional eigenvalue solution is required to uncouple the new equations of motion; however, this is a much simplier calculation starting from a system that is already substantially uncoupled. The method was successfully tested in a simulation of Saturn V loads. Results from the method are compared to results from separate structural models for several propellant levels, showing excellent agreement. Further development to encompass more complicated propellant models, including slosh dynamics, is possible.

McGhee, D. S.↗
NASA NTRS1978

Physical parameters defining the changing structure of a coronal hole

The S-056 X-ray data have been used to determine significant quantitative values for physical parameters defining the changing structure of a coronal hole. A new active region (McMath 12363) developed near a large coronal hole late on 1973 June 1. As the new bipolar region developed, a distinct decrease (channel) occurred in a nearby X-ray emission source. Quantitative values are given for the change in X-ray flux, average electron density, and temperature in the channel, and these variations are related to the corresponding photospheric and coronal magnetic fields in the region. The observations show that the decrease in X-ray flux resulted from a reduction in electron density rather than from cooling. The study suggests that changes in a coronal hole may be explained by the loss of material along weakened, less-confining magnetic field lines in the corona.

Vorpahl, J. A.↗
DOE OSTI2026

Aggregation Methods for Quantifying PTM and Structural Changes in Bottom-Up Proteomics

Bottom-up proteomic workflows rely on sequential preprocessing steps, commonly including peptide-to-protein aggregation (“roll-up”), to enhance data reliability and interpretability. While roll-up is effective for protein-centered analyses, it may be suboptimal for applications focused on post-translational modifications (PTMs) or protein structural changes, such as limited proteolysis–mass spectrometry (LiP-MS). Here, we investigate how different roll-up strategies influence site-level quantification in PTM differential analysis. Moreover, we introduce a novel site-centric roll-up approach tailored for LiP-MS, which quantifies proteolytic fragments rather than solely tryptic peptides. We benchmark these methods through simulation studies, comparing their sensitivity and specificity in detecting structural and PTM-driven changes. We found that the median and mean roll-up methods outperform the sum method in both PTM and LiP proteomics, and site-level quantification in LiP outperforms peptide-level quantification. Our findings offer the first systematic, data-driven guidance for selecting roll-up techniques in site-level proteomic analyses, with implications for both PTM-focused and structural proteomics studies.

aggregation↗
DOE OSTI2023

Correlating structural changes in thermoresponsive hydrogels to the optical response of embedded plasmonic nanoparticles

Stimuli-responsive microgels, composed of small beads with soft, deformable polymer networks swollen through a combination of synthetic control over the polymer and its interaction with water, form a versatile platform for development of multifunctional and biocompatible sensors. The interfacial structural variation of such materials at a nanometer length scale is essential to their function, but not yet fully comprehended. Here, we take advantage of the plasmonic response of a gold nanorod embedded in a thermoresponsive microgel (AuNR@PNIPMAm) to monitor structural changes in the hydrogel directly near the nanorod surface. By direct comparison of the plasmon response against measurements of the hydrogel structure from dynamic light scattering and nuclear magnetic resonance, we find that the microgel shell of batch-polymerized AuNR@PNIPMAm exhibits a heterogeneous volume phase transition reflected by different onset temperatures for changes in the hydrodyanmic radius (R H ) and plasmon resonance, respectively. The new approach of contrasting plasmonic response (a measure of local surface hydrogel structure) with R H and relaxation times paves a new path to gain valuable insight for the design of plasmonic sensors based on stimuli-responsive hydrogels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗