On the solution of error covariance difference equations by means of canonical decomposition and z transform.
Canonical decomposition of nonlinear error covariance difference equation derived for discrete estimation problems
NONLINEAR EQUATION↗
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Results for “different”
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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CMOS imager with charge-leakage compensated frame difference and sum output
This paper presents a new technique for implementing a low-power CMOS imager with simultaneous on-chip computation of the difference and sum of two successive frames.
CMOS imager active pixel sensor APS photogate fram↗
Vegetation Monitoring Optimization with Normalized Difference Vegetation Index and Evapotranspiration Using Remote Sensing Measurements and Land Surface Models Over East Africa
The majority of people in East Africa rely on the agro-pastoral system for their livelihood, which is highly vulnerable to droughts and flooding. Agro-pastoral droughts are endemic to the region and are considered the main natural hazard that contributes to food insecurity. Drought begins with rainfall deficit, gradually leading to soil moisture deficit, higher land surface temperature, and finally impacts to vegetation growth. Therefore, monitoring vegetation conditions is essential in understanding the progression of drought, potential effects on food security, and providing early warning information needed for drought mitigation decisions. Because vegetation processes couple the land and atmosphere, monitoring of vegetation conditions requires consideration of both water provision and demand. While there is consensus in using either the Normalized Difference Vegetation Index (NDVI) or evapotranspiration(ET) for vegetation monitoring, a comprehensive assessment optimizing the use of both has not yet been done. Moreover, the evaluation methods for understanding the relationships between NDVI and ET for vegetation monitoring are also limited. Taking these gaps into account we have developed a framework to optimize vegetation monitoring using both NDVI and ET by identifying where they perform the best by using triple collocation and cross-correlation methods. We estimated the random error structure in Moderate Resolution Imaging Spectroradiometer (MODIS) NDVI; ET from the Operational Simplified Surface Energy Balance (SSEBop) model; and ET from land surface models (LSMs). LSM ET and SSEBop ET have been found to be better indicators for vegetation monitoring during extreme drought events, while NDVI could provide better information on vegetation condition during wetter than normal conditions. The random error structures of these variables suggest that LSM ET is most likely to provide important information for vegetation monitoring over low and high ends of the vegetation fraction areas. Over moderate vegetative areas, any of these variables could provide important vegetation information for drought characterization and food security assessments. While this study provides a framework for optimizing vegetation monitoring for drought and food security assessments over East Africa, the framework can be adopted to optimize vegetation monitoring over any other drought and food insecure region of the world.
triple collocation↗
Finite Difference Methods for Turbulence Simulations
The optimal finite difference discretization used in simulations of turbulent flows is influenced by both, the type of the scale resolving simulation (DNS or LES), as well as the flow-physics (hydrodynamic instabilities, shocks, acoustics, etc.) one expects to resolve. Insight into dispersion and dissipation error requirements for some common scale-resolving simulation scenarios help to highlight the issues faced in selecting a scheme.
Finite Difference Methods↗
Neuro-behavioral Consequences of Low Dose Radiation Social Isolation and Sex Differences in the Longevity MCAT Mouse Model
The physiological responses to spaceflight elicit wide-ranging consequences and resemble aspects of aging on Earth. Previous studies have shown that oxidative damage via reactive oxygen species (ROS), contributes to aging-related pathologies. Our study uses 1-year old C57BL/6NJ male and female mice (astronaut-relevant age) that underwent exposure to 0.5 gray of gamma radiation together with social isolation and were euthanized 12 weeks after. We used the longevity MCAT mouse model in which human catalase is overexpressed in the mitochondria, for ROS quenching. We aimed to determine whether in older mice quenching ROS, will mitigate the neuro-behavioral consequences of low dose ionizing radiation and/or social isolation and whether the outcomes will differ in males and females. We have performed five mission relevant behavioral tests which focused on performance, memory, physical stance, and stress. We have detected both sex and radiation effects; the older females look physically better are faster and perform better almost in all behavioral tests compared to their male counterparts. On the other hand, they are more sensitive to low dose radiation in many cases, in some cases this effect was indeed mitigated in the MCAT mice, pointing out to the importance of ROS in response to radiation stress and social isolation. We have measured plasma (7- and 90-days post radiation), cytokines, corticosterone and hippocampal cytokine and microglial activation at the end of the experiment. We saw significant changes in the plasma markers due to radiation, sex, and genotype in both short and long post radiation period and detected long term sex and radiation effects in the brain. Our focus is now on applying advanced statistical modeling to corelate the behavioral tests with our recent molecular findings to look for specific biomarkers that could predict behavioral deficits.
radiation↗
Sex Differences in Perceptions of Sleep Inertia Following Nighttime Awakenings
Study Objectives: The influence of biological sex on sleep inertia symptoms is currently unknown. We investigated the role of sex differences in the subjective experience and objective cognitive manifestation of sleep inertia following nighttime awakenings. Methods: Thirty-two healthy adults (16 female, 25.91 ± 5.63 years) completed a one-week at-home study with one experimental night during which sleep was measured by polysomnography and participants were awakened during their habitual sleep time. Participants completed a psychomotor vigilance task (PVT), Karolinska Sleepiness Scale (KSS), visual analog mood scales, and a descending subtraction task (DST) prior to sleep (baseline) and at 2, 12, 22, and 32 minutes after awakening. A series of mixed-effects models with Bonferroni-corrected post-hoc tests were used to examine the main effects of test bout and sex, and their interaction, with a random effect of participant, and order of wake-up and sleep history as covariates. Results: All outcomes except for percent correct on the DST showed a significant main effect of test bout, with worse performance after waking compared to baseline (all p s < .003). Significant effects of sex ( p = .002) and sex × test bout ( p = .01; R 2 M = .49, R 2 C = .69) were observed for KSS, with females reporting a greater increase in sleepiness from baseline to after waking compared to males. Conclusions : These results suggest that while females reported feeling sleepier than males following nighttime awakenings, their cognitive performance was comparable. Future research is needed to determine whether perceptions of sleepiness influence decision-making during the transition from sleep to wakefulness.
Sleep inertia↗
Sex Differences in Perceptions of Sleep Inertia Following Nighttime Awakenings
Study Objectives: The influence of biological sex on sleep inertia symptoms is currently unknown. We investigated the role of sex differences in the subjective experience and objective cognitive manifestation of sleep inertia following nighttime awakenings. Methods: Thirty-two healthy adults (16 female, 25.91 ± 5.63 years) completed a one-week at-home study with one experimental night during which sleep was measured by polysomnography and participants were awakened during their habitual sleep time. Participants completed a psychomotor vigilance task (PVT), Karolinska Sleepiness Scale (KSS), visual analog mood scales, and a descending subtraction task (DST) prior to sleep (baseline) and at 2, 12, 22, and 32 minutes after awakening. A series of mixed-effects models with Bonferroni-corrected post-hoc tests were used to examine the main effects of test bout and sex, and their interaction, with a random effect of participant, and order of wake-up and sleep history as covariates. Results: All outcomes except for percent correct on the DST showed a significant main effect of test bout, with worse performance after waking compared to baseline (all ps < .003). Significant effects of sex (p = .002) and sex × test bout (p = .01; R2M = .49, R2C = .69) were observed for KSS, with females reporting a greater increase in sleepiness from baseline to after waking compared to males. Conclusions: These results suggest that while females reported feeling sleepier than males following nighttime awakenings, their cognitive performance was comparable. Future research is needed to determine whether perceptions of sleepiness influence decision-making during the transition from sleep to wakefulness.
sleep inertia↗
Application of linear prolongation to coarse mesh finite difference acceleration in CASMO5
The Coarse-Mesh Finite Difference (CMFD) method has been used for over a decade to accelerate the convergence of the Method of Characteristics (MOC) solution to the two- dimensional particle transport equation in CASMO5. Numerical testing, along with widespread use in production-level calculations, have shown that the current CMFD implementation provides stability and robustness for a wide range of realistic reactor physics problems. However, the recent development of linear prolongation has attracted attention from the community as a way to further improve the performance and stability of CMFD. Two interpolation methods for linear prolongation are presented in this work and implemented into a test version of CASMO5. The performance of the proposed interpolations, referred to as the bilinear and linear directional schemes, is evaluated in terms of runtime relative to the default constant or uniform scaling update. Numerical results indicate that the use of linear prolongation can reduce the transport solver runtime on average by approximately 10% when tested with two hundred randomly selected cases. The new directional linear interpolation, combined with default constant boundary updates, is found to provide the highest reduction in runtime for the cases analyzed. (authors)
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Facile Synthesis of Palladium-Based Nanocrystals with Different Crystal Phases and a Comparison of Their Catalytic Properties
A relatively unexplored aspect of noble-metal nanomaterials is polymorphism, or their ability to crystallize in different crystal phases. Here, in this work, a method is reported for the facile synthesis of Ru@Pd core–shell nanocrystals featuring polymorphism, with the core made of hexagonally close-packed (hcp)-Ru while the Pd shell takes either an hcp or face-centered cubic (fcc) phase. The polymorphism shows a dependence on the shell thickness, with shells thinner than ≈1.4 nm taking the hcp phase whereas the thicker ones revert to fcc. The injection rate provides an experimental knob for controlling the phase, with one-shot and drop-wise injection of the Pd precursor corresponding to fcc-Pd and hcp-Pd shells, respectively. When these nanocrystals are tested as catalysts toward formic acid oxidation, the Ru@Pd hcp nanocrystals outperform Ru@Pd fcc in terms of both specific activity and peak potential. Density functional theory calculations are also performed to elucidate the origin of this performance enhancement.
36 MATERIALS SCIENCE↗
Mechanistic Studies on the Insertion of Carbonyl Substrates into Cu‐H: Different Rate‐Limiting Steps as a Function of Electrophilicity
Abstract We report mechanistic studies on the insertion reactions of [(NHC)Cu(μ‐H)] 2 complexes with carbonyl substrates by UV‐vis and 1 H NMR spectroscopic kinetic studies, H/D isotopic labelling, and X‐ray crystallography. The results of these comprehensive studies show that the insertion of Cu‐H with an aldehyde, ketone, activated ester/amide, and unactivated amide consist of two different rate limiting steps: the formation of Cu‐H monomer from Cu‐H dimer for more electrophilic substrates, and hydride transfer from a transient Cu‐H monomer for less electrophilic substrates. We also report spectroscopic and crystallographic characterization of rare Cu‐hemiacetalate and Cu‐hemiaminalate moieties from the insertion of an ester or amide into the Cu−H bond.
Tran, Ba L.↗
Bimetallic Copper/Ruthenium/Osmium Complexes: Observation of Conformational Differences Between the Solution Phase and Solid State by Atomic Pair Distribution Function Analysis
Abstract High‐energy X‐ray scattering and pair distribution function analysis (HEXS/PDF) is a powerful method to reveal the structure of materials lacking long‐range order, but is underutilized for molecular complexes in solution. We demonstrate the application of HEXS/PDF with 0.26 Å resolution to uncover the solution structure of five bimetallic Cu I /Ru II /Os II complexes. HEXS/PDF of each complex in acetonitrile solution confirms the pairwise distances in the local coordination sphere of each metal center as well as the metal⋅⋅⋅metal distances separated by over 12 Å. The metal⋅⋅⋅metal distance detected in solution is compared with that from the crystal structure and molecular models to confirm that distortions to the metal bridging ligand are unique to the solid state. This work presents the first example of observing sub‐Ångström conformational differences by direct comparison of solution phase and solid‐state structures and shows the potential for HEXS/PDF in the determination of solution structure of single molecules.
Xie, Zhu‐Lin↗
Mechanistic Studies on the Insertion of Carbonyl Substrates into Cu-H: Different Rate-Limiting Steps as a Function of Electrophilicity
In this paper, we report mechanistic studies on the insertion reactions of [(NHC)Cu(H)] 2 complexes with carbonyl substrates by UV-vis and 1 H NMR spectroscopic kinetic studies, H/D isotopic labelling, and X-ray crystallography. The results of these comprehensive studies show that the insertion of Cu-H with an aldehyde, ketone, activated ester/amide, and unactivated amide consist of two different rate limiting steps: the formation of Cu-H monomer from Cu-H dimer for more electrophilic substrates and hydride transfer from a transient Cu-H monomer for less electrophilic substrates. We also report spectroscopic and crystallographic characterization of rare Cu-hemiacetalate and Cu-hemiaminalate moieties from the insertion of an ester and amide into the Cu-H bond.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Bimetallic Copper/Ruthenium/Osmium Complexes: Observation of Conformational Differences Between the Solution Phase and Solid State by Atomic Pair Distribution Function Analysis
High-energy X-ray scattering and pair distribution function analysis (HEXS/PDF) is a powerful method to reveal the structure of materials lacking long-range order, but is underutilized for molecular complexes in solution. Here we demonstrate the application of HEXS/PDF with 0.26 Å resolution to uncover the solution structure of five bimetallic Cu I /Ru II /Os II complexes. HEXS/PDF of each complex in acetonitrile solution confirms the pairwise distances in the local coordination sphere of each metal center as well as the metal...metal distances separated by over 12 Å. The metal…metal distance detected in solution is compared with that from the crystal structure and molecular models to confirm that distortions to the metal bridging ligand are unique to the solid state. This work presents the first example of observing sub-Ångström conformational differences by direct comparison of solution phase and solid-state structures and shows the potential for HEXS/PDF in the determination of solution structure of single molecules.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Decomposition Kinetics of H 2 O 2 on Pd Nanocrystals with Different Shapes and Surface Strains
Direct synthesis of hydrogen peroxide (H 2 O 2 ) from H 2 and O 2 on a Pd-based catalyst has emerged as a promising route to replace the energy-consuming, highly inefficient anthraquinone process. However, Pd is also a good catalyst for the decomposition of H 2 O 2 , thereby compromising the selectivity toward the desired product. The coupling between the formation and decomposition reactions makes it difficult to single out the most important parameter that controls the selectivity toward direct synthesis of H 2 O 2 . Herein, support-free monometallic Pd nanocrystals with different shapes and surface strains are used to investigate their impacts on the decomposition kinetics of H 2 O 2 . The kinetics are analyzed by tracking the concentration of the remaining H 2 O 2 using infrared spectroscopy. The data indicates that both surface structure and strain affect the decomposition kinetics of H 2 O 2 , but their impacts are inferior to that caused by Br – , a surface capping agent for the Pd{100} facets. The experimental results are consistent with the trend obtained through density functional theory calculations. Furthermore, this work helps shed light on the development of Pd-based catalysts for the direct synthesis of H 2 O 2 by offering strategies to mitigate the decomposition of the desired product.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Differences in soil organic matter between EcM- and AM-dominated forests depend on tree and fungal identity
As global change shifts the species composition of forests, we need to understand which species characteristics affect soil organic matter (SOM) cycling to predict future soil carbon (C) storage. Recently, whether a tree species forms a symbiosis with arbuscular (AM) versus ectomycorrhizal (EcM) fungi has been suggested as a strong predictor of soil C storage, but there is wide variability within EcM systems. In this study, we investigated how mycorrhizal associations and the species composition of canopy trees and mycorrhizal fungi related to the proportion of soil C and nitrogen (N) in mineral associations and soil C:N across four sites representing distinct climates and tree communities in the eastern US broadleaf forest biome. In two of our sites, we found the expected relationship of declining mineral-associated C and N and increasing soil C:N ratios as the basal area of EcM-associating trees increased. However, across all sites these soil properties strongly correlated with canopy tree and fungal species composition. Sites where the expected pattern with EcM basal area was observed were (1) dominated by trees with lower quality litter in the Pinaceae and Fagaceae families and (2) dominated by EcM fungi with medium-distance exploration type hyphae, melanized tissues, and the potential to produce peroxidases. Here, this observational study demonstrates that differences in SOM between AM and EcM systems are dependent on the taxa of trees and EcM fungi involved. Important information is lost when the rich mycorrhizal symbiosis is reduced to two categories.
mineral-associated organic matter↗
Effects of different pretreatment methods on the drying characteristics and quality of potatoes
Abstract The effects of different pretreatments on the vitamin C content of peeled fresh potato, the drying characteristics, and several quality attributes of dehydrated potatoes were investigated. Citric acid pretreatment (0.1%–0.3%, 10–30 min), steam blanching (100ºC, 1–2 min), and water blanching (95°C, 1–2 min) were found to have no obvious effect on the drying rate of potatoes, whereas temperature was the main influencing factor. In terms of quality of dehydrated diced potato, 20 min of citric acid pretreatment resulted in the highest vitamin C retention and better color. Furthermore, dehydrated potato pretreated with citric acid all showed similar dynamic moisture adsorption curves, namely type II sorption isotherm. The moisture adsorption curves can be well fitted using the Guggenheim–Anderson–deBoer model with R 2 higher than .97.
Sun, Xiangfeng↗
Central Compact Finite‐Difference Scheme With High Spectral Resolution for KdV Equation
This work presents a combination of cell‐node and cell‐centered compact finite difference scheme for the approximation of third derivatives involved in Korteweg–de Vries (KdV) equations. This approach employs a half‐shifted derivative construction at cell centers, avoiding the need for compact interpolation, thereby removing transfer errors; hence, it improves spectral resolution and maintains high‐order accuracy. Fourier analysis is performed to show the spectral properties of the proposed formulation, which provides higher spectral resolutions as compared to node‐based compact schemes. A filtering strategy is incorporated to suppress high‐frequency oscillations without compromising the accuracy of the numerical scheme, and the total variation diminishing Runge Kutta (TVDRK3) method is applied for time integration. Numerical experiments on linear, nonlinear, and coupled KdV systems are conducted, and a comparative analysis with cell‐node compact schemes confirms that the proposed scheme consistently reduces errors by up to an order of magnitude and achieves high spectral resolution properties.
97 MATHEMATICS AND COMPUTING↗
Human IgE monoclonal antibodies define two unusual epitopes trapping dog allergen Can f 1 in different conformations
Abstract Molecular analysis of interactions between IgE antibody and allergen allows the structural basis of IgE recognition to be defined. Human IgE (hIgE) epitopes of respiratory lipocalin allergens, including Can f 1, remain elusive due to a lack of IgE‐allergen complexes. This study aims to map the structure of allergenic epitopes on Can f 1. The fragment antigen‐binding (Fab) regions of Can f 1 specific human IgE monoclonal antibodies (hIgE mAb) were used to determine the structures of IgE epitopes. Epitope mutants were designed to target Can f 1 epitopes. Immunoassays and a human FcεRIαtransgenic mouse model of passive anaphylaxis in vivo were used to assess the functional activity of epitope mutants. Crystal structures of natural or recombinant Can f 1 complexed with two hIgE mAb 1J11 and 12F3 Fabs, respectively, were determined. The hIgE mAb bound to two partially overlapping epitopes and recognized two different Can f 1 conformations. The hIgE mAb 12F3 showed an unusual mode of binding by protruding its heavy chain CDR3 inside the Can f 1 calyx. Epitope mutants generated based on the structural analyses displayed a 64%–89% reduction in IgE antibody binding and failed to induce passive anaphylaxis in a human FcεRIαtransgenic mouse model. In summary, the structures of Can f 1‐hIgE Fab complexes revealed two unique and partially overlapping epitopes on Can f 1. The modification of the identified IgE epitopes provides a pathway for the design of hypoallergens to treat dog allergies.
Biochemistry & Molecular Biology↗