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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 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

GhBZR3 suppresses cotton fiber elongation by inhibiting very‐long‐chain fatty acid biosynthesis

SUMMARY The BRASSINAZOLE‐RESISTANT (BZR) transcription factor is a core component of brassinosteroid (BR) signaling and is involved in the development of many plant species. BR is essential for the initiation and elongation of cotton fibers. However, the mechanism of BR‐regulating fiber development and the function of BZR is poorly understood in Gossypium hirsutum L. (cotton). Here, we identified a BZR family transcription factor protein referred to as GhBZR3 in cotton. Overexpression of GhBZR3 in Arabidopsis caused shorter root hair length, hypocotyl length, and hypocotyl cell length, indicating that GhBZR3 negatively regulates cell elongation. Pathway enrichment analysis from VIGS ‐GhBZR3 cotton plants found that fatty acid metabolism and degradation might be the regulatory pathway that is primarily controlled by GhBZR3. Silencing GhBZR3 expression in cotton resulted in taller plant height as well as longer fibers. The very‐long‐chain fatty acid (VLCFA) content was also significantly increased in silenced GhBZR3 plants compared with the wild type. The GhKCS13 promoter, a key gene for VLCFA biosynthesis, contains two GhBZR3 binding sites. The results of yeast one‐hybrid, electrophoretic mobility shift, and luciferase assays revealed that GhBZR3 directly interacted with the GhKCS13 promoter to suppress gene expression. Taken together, these results indicate that GhBZR3 negatively regulates cotton fiber development by reducing VLCFA biosynthesis. This study not only deepens our understanding of GhBZR3 function in cotton fiber development, but also highlights the potential of improving cotton fiber length and plant growth using GhBZR3 and its related genes in future cotton breeding programs.

Shi, Zemin↗
DOE OSTI2018

Reactivity of heterogeneous surfaces: Modeling precursor–surface interaction using absorbing Markov chains

Heterogeneous reactive surfaces involving a spatial distribution of reactive sites are ubiquitous in thin film growth, from defect nucleation to step flow growth. In this work, the interaction of gas phase species with heterogeneous reactive surfaces was explored using a model combining absorbing Markov chains and local balance equations. Through this model, single particle statistics can be extracted of the adsorption-diffusion-desorption/reaction process even beyond the transport-limited regime, where the surface coverage of adsorbates, and hence adsorbate-adsorbate interaction, is not negligible, and local rates can be connected with macroscopic quantities, such as the sticking probability and desorption rates. In the transport-limited regime, a similarity law was identified for the sticking probability for both step flow growth and nucleation on randomly distributed reactive sites in which the sticking probability is a function of the product of the local diffusion and reaction probabilities. Lastly, the model can be applied to extract local reactivity maps providing the probability that a particle adsorbing on a given site reacts with the surface. This allows one to explore the development of capture zones and the impact of site-blocking and desorption on the local sticking probabilities.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Attosecond probing and control of charge migration in carbon-chain molecule

In quantum mechanics, when an electron is quickly ripped off from a molecule, a superposition of new eigenstates of the cation creates an electron wave packet that governs the charge flow inside, which has been called charge migration (CM). Experimentally, extracting such dynamics at its natural (attosecond) timescale is quite difficult. We report the first such experiment in a linear carbon-chain molecule, butadiyne (C 4 H 2 ), via high-harmonic spectroscopy (HHS). By employing advanced theoretical and computational tools, we showed that the wave packet and the CM of a single molecule are reconstructed from the harmonic spectra for each fixed-in-space angle of the molecule. For this one-dimensional molecule, we calculate the center of charge $\langle$ x $\rangle$ ( t ) to obtain v cm , to quantify the migration speed and how it depends on the orientation angle. The findings also uncover how the electron dynamics at the first few tens to hundreds of attoseconds depends on molecular structure. The method can be extended to other molecules where the HHS technique can be employed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

SU-E-J-115: Using Markov Chain Modeling to Elucidate Patterns in Breast Cancer Metastasis Over Time and Space

Purpose: Traditionally, breast cancer metastasis is described as a process wherein cancer cells spread from the breast to multiple organ systems via hematogenous and lymphatic routes. Mapping organ specific patterns of cancer spread over time is essential to understanding metastatic progression. In order to better predict sites of metastases, here we demonstrate modeling of the patterned migration of metastasis. Methods: We reviewed the clinical history of 453 breast cancer patients from Memorial Sloan Kettering Cancer Center who were non-metastatic at diagnosis but developed metastasis over time. We used the variables of organ site of metastases as well as time to create a Markov chain model of metastasis. We illustrate the probabilities of metastasis occurring at a given anatomic site together with the probability of spread to additional sites. Results: Based on the clinical histories of 453 breast cancer patients who developed metastasis, we have learned (i) how to create the Markov transition matrix governing the probabilities of cancer progression from site to site; (ii) how to create a systemic network diagram governing disease progression modeled as a random walk on a directed graph; (iii) how to classify metastatic sites as ‘sponges’ that tend to only receive cancer cells or ‘spreaders’ that receive and release them; (iv) how to model the time-scales of disease progression as a Weibull probability distribution function; (v) how to perform Monte Carlo simulations of disease progression; and (vi) how to interpret disease progression as an entropy-increasing stochastic process. Conclusion: Based on our modeling, metastatic spread may follow predictable pathways. Mapping metastasis not simply by organ site, but by function as either a ‘spreader’ or ‘sponge’ fundamentally reframes our understanding of metastatic processes. This model serves as a novel platform from which we may integrate the evolving genomic landscape that drives cancer metastasis. PS-OC Trans-Network Project Grant Award for “Data Assimilation and ensemble statistical forecasting methods applied to the MSKCC longitudinal metastatic breast cancer cohort.”.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

MO-DE-207A-08: Four-Dimensional Cone-Beam CT Iterative Reconstruction with Time-Ordered Chain Graph Model for Non-Periodic Organ Motion and Deformation

Purpose: The purpose of this study is to propose a new concept of four-dimensional (4D) cone-beam CT (CBCT) reconstruction for non-periodic organ motion using the Time-ordered Chain Graph Model (TCGM), and to compare the reconstructed results with the previously proposed methods, the total variation-based compressed sensing (TVCS) and prior-image constrained compressed sensing (PICCS). Methods: CBCT reconstruction method introduced in this study consisted of maximum a posteriori (MAP) iterative reconstruction combined with a regularization term derived from a concept of TCGM, which includes a constraint coming from the images of neighbouring time-phases. The time-ordered image series were concurrently reconstructed in the MAP iterative reconstruction framework. Angular range of projections for each time-phase was 90 degrees for TCGM and PICCS, and 200 degrees for TVCS. Two kinds of projection data, an elliptic-cylindrical digital phantom data and two clinical patients’ data, were used for reconstruction. The digital phantom contained an air sphere moving 3 cm along longitudinal axis, and temporal resolution of each method was evaluated by measuring the penumbral width of reconstructed moving air sphere. The clinical feasibility of non-periodic time-ordered 4D CBCT reconstruction was also examined using projection data of prostate cancer patients. Results: The results of reconstructed digital phantom shows that the penumbral widths of TCGM yielded the narrowest result; PICCS and TCGM were 10.6% and 17.4% narrower than that of TVCS, respectively. This suggests that the TCGM has the better temporal resolution than the others. Patients’ CBCT projection data were also reconstructed and all three reconstructed results showed motion of rectal gas and stool. The result of TCGM provided visually clearer and less blurring images. Conclusion: The present study demonstrates that the new concept for 4D CBCT reconstruction, TCGM, combined with MAP iterative reconstruction framework enables time-ordered image reconstruction with narrower time-window.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Poly[ n ]catenanes: Synthesis of molecular interlocked chains

As the macromolecular version of mechanically interlocked molecules, mechanically interlocked polymers are promising candidates for the creation of sophisticated molecular machines and smart soft materials. Poly[ n ]catenanes, where the molecular chains consist solely of interlocked macrocycles, contain one of the highest concentrations of topological bonds. We report, herein, a synthetic approach toward this distinctive polymer architecture in high yield (similar to 75%) via efficient ring closing of rationally designed metallosupramolecular polymers. Light-scattering, mass spectrometric, and nuclear magnetic resonance characterization of fractionated samples support assignment of the high-molar mass product (number-average molar mass similar to 21.4 kilograms per mole) to a mixture of linear poly[7-26]catenanes, branched poly[13-130]catenanes, and cyclic poly[4-7]catenanes. As a result, increased hydrodynamic radius (in solution) and glass transition temperature (in bulk materials) were observed upon metallation with Zn 2+ .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Resonance-stabilized hydrocarbon-radical chain reactions may explain soot inception and growth

Mystery surrounds the transition from gas-phase hydrocarbon precursors to terrestrial soot and interstellar dust, which are carbonaceous particles formed under similar conditions. Although polycyclic aromatic hydrocarbons (PAHs) are known precursors to high-temperature carbonaceous-particle formation, the molecular pathways that initiate particle formation are unknown. We present experimental and theoretical evidence for rapid molecular clustering–reaction pathways involving radicals with extended conjugation. These radicals react with other hydrocarbon species to form covalently bound complexes that promote further growth and clustering by regenerating resonance-stabilized radicals through low-barrier hydrogen-abstraction and hydrogen-ejection reactions. Such radical–chain reaction pathways may lead to covalently bound clusters of PAHs and other hydrocarbons that would otherwise be too small to condense at high temperatures, thus providing the key mechanistic steps for rapid particle formation and surface growth by hydrocarbon chemisorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Polyethylene upcycling to long-chain alkylaromatics by tandem hydrogenolysis/aromatization

The current scale of plastics production and the accompanying waste disposal problems represent a largely untapped opportunity for chemical upcycling. Tandem catalytic conversion by platinum supported on γ-alumina converts various polyethylene grades in high yields (up to 80 weight percent) to low-molecular-weight liquid/wax products, in the absence of added solvent or molecular hydrogen, with little production of light gases. The major components are valuable long-chain alkylaromatics and alkylnaphthenes (average ~C 30 , dispersity Ð = 1.1). Coupling exothermic hydrogenolysis with endothermic aromatization renders the overall transformation thermodynamically accessible despite the moderate reaction temperature of 280°C. This approach demonstrates how waste polyolefins can be a viable feedstock for the generation of molecular hydrocarbon products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The chain of chirality transfer in tellurium nanocrystals

Despite persistent and extensive observations of crystals with chiral shapes, the mechanisms underlying their formation are not well understood. Although past studies suggest that chiral shapes can form because of crystallization in the presence of chiral additives, or because of an intrinsic tendency that stems from the crystal structure, there are many cases in which these explanations are not suitable or have not been tested. Here, an investigation of model tellurium nanocrystals provides insights into the chain of chirality transfer between crystal structure and shape. We show that this transfer is mediated by screw dislocations, and shape chirality is not an outcome of the chiral crystal structure or ligands.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A 3D extra-large-pore zeolite enabled by 1D-to-3D topotactic condensation of a chain silicate

Zeolites are microporous silicates with a large variety of applications as catalysts, adsorbents, and cation exchangers. Stable silica-based zeolites with increased porosity are in demand to allow adsorption and processing of large molecules but challenge our synthetic ability. We report a new, highly stable pure silica zeolite called ZEO-3, which has a multidimensional, interconnected system of extra-large pores open through windows made by 16 and 14 silicate tetrahedra, the least dense polymorph of silica known so far. This zeolite was formed by an unprecedented one-dimensional to three-dimensional (1D-to-3D) topotactic condensation of a chain silicate. With a specific surface area of more than 1000 square meters per gram, ZEO-3 showed a high performance for volatile organic compound abatement and recovery compared with other zeolites and metal-organic frameworks.

Science & Technology - Other Topics↗
DOE OSTI2016

Conservation and diversity in the ultralong third heavy-chain complementarity-determining region of bovine antibodies

Antibodies provide a broad defense against a vast array of antigens; however, the structural features that contribute to this diverse antigen recognition vary in different vertebrates. In cows, a subset of antibodies have an exceptionally long third heavy-chain complementarity-determining region (CDR H3) that is highly variable in sequence and includes multiple cysteines. These long CDR H3s (up to 69 residues) fold into a long stalk atop which sits a knob domain that is located far from the antibody surface. We have determined crystal structures of three bovine Fabs to decipher the conserved and variable features of ultralong CDR H3s that lead to diversity in antigen recognition. Despite high sequence variability, the stalks adopt a conserved β-ribbon structure, whereas the knob regions share a conserved β sheet that serves as a scaffold for two connecting loops of variable length and conformation, as well as one conserved disulfide. Variation in patterns and connectivity of the remaining disulfides contribute to the structural diversity of the knob. Finally, the unusual architecture of these ultralong bovine CDR H3s for generating diversity is unique in adaptive immune systems and may inform efforts in antibody engineering.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

Heavy Chain-Only IgG2b Llama Antibody Effects Near-Pan HIV-1 Neutralization by Recognizing a CD4-Induced Epitope That Includes Elements of Coreceptor- and CD4-Binding Sites

The conserved HIV-1 site of coreceptor binding is protected from antibody-directed neutralization by conformational and steric restrictions. While inaccessible to most human antibodies, the coreceptor site has been shown to be accessed by antibody fragments. In this study, we used X-ray crystallography, surface plasmon resonance, and pseudovirus neutralization to characterize the gp120-envelope glycoprotein recognition and HIV-1 neutralization of a heavy chain-only llama antibody, named JM4. We describe full-length IgG2b and IgG3 versions of JM4 that target the coreceptor-binding site and potently neutralize over 95% of circulating HIV-1 isolates. Contrary to established trends that show improved access to the coreceptor-binding region by smaller antibody fragments, the single-domain (VHH) version of JM4 neutralized less well than the full-length IgG2b version of JM4. The crystal structure at 2.1-Å resolution of VHH JM4 bound to HIV-1 YU2 gp120 stabilized in the CD4-bound state by the CD4-mimetic miniprotein, M48U1, revealed a JM4 epitope that combined regions of coreceptor recognition (including the gp120 bridging sheet, V3 loop, and β19 strand) with gp120 structural elements involved in recognition of CD4 such as the CD4-binding loop. The structure of JM4 with gp120 thus defines a novel CD4-induced site of vulnerability involving elements of both coreceptor- and CD4-binding sites. Here, the potently neutralizing JM4 IgG2b antibody that targets this newly defined site of vulnerability adds to the expanding repertoire of broadly neutralizing antibodies that effectively neutralize HIV-1 and thereby potentially provides a new template for vaccine development and target for HIV-1 therapy.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Metagenome-Assembled Genomes from a Microbiome Converting Xylose to Medium-Chain Carboxylic Acids

There is growing interest in producing beneficial products from wastes using microbiomes. We previously performed multiomic analyses of a bioreactor microbiome that converted carbohydrate-rich lignocellulosic residues to medium-chain carboxylic acids. Here, we present draft metagenome-assembled genomes from this microbiome, obtained from reactors in which xylose was the primary carbon source.

Scarborough, Matthew J.↗
DOE OSTI2022

Short Chain Fatty Acids and Bacterial Taxa Associated with Reduced Salmonella enterica serovar I 4,[5],12:i:- Shedding in Swine Fed a Diet Supplemented with Resistant Potato Starch

Salmonella enterica serovar I 4,[5],12:i:- is a foodborne pathogen of concern because many isolates are multidrug-resistant (resistant to ≥3 antimicrobial classes) and metal tolerant. In this study, three in-feed additives were individually tested for their ability to reduce Salmonella I 4,[5],12:i:- shedding in swine: resistant potato starch (RPS), high amylose corn starch, and a fatty acid blend, compared with a standard control diet over 21 days. Only RPS-fed pigs exhibited a reduction in Salmonella fecal shedding, different bacterial community compositions, and different cecal short chain fatty acid (SCFA) profiles relative to control animals. Within the RPS treatment group, pigs shedding the least Salmonella tended to have greater cecal concentrations of butyrate, valerate, caproate, and succinate. Additionally, among RPS-fed pigs, several bacterial taxa (Prevotella_7, Olsenella, and Bifidobacterium, and others) exhibited negative relationships between their abundances of and the amount of Salmonella in the feces of their hosts. Many of these same taxa also had significant positive associations with cecal concentrations of butyrate, valerate, caproate, even though they are not known to produce these SCFAs. Together, these data suggest the RPS-associated reduction in Salmonella shedding may be dependent on the establishment of bacterial cross feeding interactions that result in the production of certain SCFAs. However, directly feeding a fatty acid mix did not replicate the effect. RPS supplementation could be an effective means to reduce multidrug-resistant (MDR) S. enterica serovar I 4,[5],12:i:- in swine, provided appropriate bacterial communities are present in the gut.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Study of the Characteristics of Elementary Processes in a Chain Hydrogen Burning Reaction in Oxygen

The characteristics of possible chain explosive hydrogen burning reactions in an oxidizing medium are calculated on the potential energy surface. Specifically, reactions H{sub 2} + O{sub 2} → H{sub 2}O + O, H{sub 2} + O{sub 2} → HO{sub 2} + H, and H{sub 2} + O{sub 2} → OH + OH are considered. Special attention is devoted to the production of a pair of fast highly reactive OH radicals. Because of the high activation threshold, this reaction is often excluded from the known kinetic scheme of hydrogen burning. However, a spread in estimates of kinetic characteristics and a disagreement between theoretical predictions with experimental results suggest that the kinetic scheme should be refined.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Searching critical-point nuclei in Te- and Xe-isotopic chains using sextic oscillator potential

We have identified the nuclei in the Te- and Xe-isotopic chains lying close to the critical point, through which the shape phase transition occurs, by using the sextic oscillator potential formalism. It has been found that {sup 110}Te, {sup 124}Te, and {sup 124}Xe isotopes are the most promising candidates for the critical-point nuclei slightly above the Z = 50 proton shell closure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2012

Integrable string models of WZNW model type with constant SU(2), SO(3), SP(2) and SU(3) torsion and hydrodynamic chains

The integrability of string model of WZNW model type with constant SU (2), SO (3), SP (2) torsion is investigated. The closed boson string model in the background gravity and antisymmetric B-field is considered as integrable system in terms of initial chiral currents. The model is considered under assumption that internal torsion related with metric of Riemann-Cartan space and external torsion related with antisymmetric B-field are (anti)coincide. New equation of motion and exact solution this equation was obtained for string model with constant SU (2), SO (3), SP (2) torsion. New equations of motion and new Poisson brackets (PB) for infinite dimensional hydrodynamic chains was obtained for string model with constant SU (n ), SO (n ), SP (n ) torsion for n → ∞.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Revealing Generality of the Thermodynamic Properties for Crystals of Long-Chain Aliphatics and Polymethylene

We analyze the dependency of melting points of molecular crystals with different chain lengths on the crystal habit of elementary volume for the first-order phase transition. We demonstrate that molecular crystals with identical chemical structure of their cores—unbranched alkanes CH{sub 3}(CH{sub 2}){sub n}CH{sub 3}, diols HOC(CH{sub 2}){sub n}COH, unbranched aliphatic alcohols CH{sub 3}(CH{sub 2}){sub n}COH, saturated carboxylic acids CH{sub 3}(CH{sub 2}){sub n}COOH, and dicarboxylic acids HOOC(CH{sub 2})nCOOH—lose their identity and individual properties and evolve toward polyethylene as the number of repeating–CH{sub 2}–groups increases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗