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At least 1,801 records · Page 100

Confirming a pyrolitic lower mantle using self-consistent pressure scales and new constraints on CaSiO 3 perovskite

In this study, we have examined the lower mantle composition and mineralogy by modeling the density ( ρ ), bulk sound velocity ( V Φ ), and dln ρ /dln V Φ profiles of candidate lower mantle minerals using literature and new experimental equation of state (EoS) results. Additionally, for CaSiO 3 perovskite, complimentary synchrotron X-ray diffraction measurements in a laser-heated diamond anvil cell were conducted up to 156 GPa between 1200 K and 2600 K to provide more reliable constraints on the thermal EoS parameters. These new experimental results as well as literature P-V-T data sets are systematically analyzed using an internally self-consistent pressure scale. We have modeled ρ , V Φ , and dln ρ /dln V Φ profiles of the lower mantle with representative pyrolitic and chondritic compositional models in which the effect of Fe spin transition in ferropericlase is also taken into account. Our modeling results show that a pyrolitic lower mantle with an aggregate mineralogy of 75 vol % bridgmanite, 17 vol % ferropericlase, and 8 vol % CaSiO 3 perovskite produces ρ and V Φ profiles in better agreement with preliminary reference Earth model than a lower mantle with a chondritic composition. The modeled ρ , V Φ , and dln ρ /dln V Φ are mainly affected by the relative ratio of bridgmanite and ferropericlase but are not sensitive to the variation of the CaSiO 3 perovskite content. In addition, the spin crossover of Fe in ferropericlase can greatly raise the value of dln ρ /dln V Φ in the middle lower mantle, which is useful in detecting the presence of ferropericlase in the region. Based on these new mineral physical constraints and radial seismic structure, our study suggests the lower mantle is pyrolitic, which is chemically indistinguishable from the upper mantle.

58 GEOSCIENCES↗

PRKCI negatively regulates autophagy via PIK3CA/AKT–MTOR signaling

The atypical protein kinase C isoform PRKC iota (PRKCI) plays a key role in cell proliferation, differentiation, and carcinogenesis, and it has been shown to be a human oncogene. Here, we show that PRKCI overexpression in U2OS cells impaired functional autophagy in normal or cell stress conditions, as characterized by decreased levels of light chain 3B-II protein (LC3B-II) and weakened degradation of endogenous and exogenous autophagic substrates. Conversely, PRKCI knockdown by small interference RNA resulted in opposite effects. Additionally, we identified two novel PRKCI mutants, PRKCI{sup L485M} and PRKCI{sup P560R}, which induced autophagy and exhibited dominant negative effects. Further studies indicated that PRKCI knockdown–mediated autophagy was associated with the inactivation of phosphatidylinositol 3-kinase alpha/AKT–mammalian target of rapamycin (PIK3CA/AKT–MTOR) signaling. These data underscore the importance of PRKCI in the regulation of autophagy. Moreover, the finding may be useful in treating PRKCI-overexpressing carcinomas that are characterized by increased levels of autophagy. - Highlights: • The atypical protein kinase C iota isoform (PRKCI) is a human oncogene. • PRKCI overexpression impairs functional autophagy in U2OS cells. • It reduces LC3B-II levels and weakens SQSTM1 and polyQ80 aggregate degradation. • PRKCI knockdown has the opposite effect. • The effect of PRKCI knockdown is related to PIK3CA/AKT–MTOR signaling inactivation.

60 APPLIED LIFE SCIENCES↗

Behavior of helium cavities in ion-irradiated W-Ni-Fe ductile-phase toughened tungsten

This study reports on the distribution of helium (He) cavities in a hot-rolled W-Ni-Fe ductile-phase toughened tungsten (DPT W) composite irradiated to a dose and a helium concentration that are comparable to those in the material after 5-year irradiation in a conceptual fusion power plant. Here, the DPT W sample consists of W particles embedded in a ductile-phase NiFeW matrix with a nominal composition of 90W-7Ni-3Fe by weight. It was hot-rolled to a thickness reduction by 87% (87R DPT W). Sequential irradiation of the material with 1.2 MeV Ni + ions to a fluence of 2.15×10 16 Ni + /cm 2 and 90 keV He + ions to 6.5×10 15 He + /cm 2 was performed at 973 K. Larger He cavities with a lower number density are observed in NiFeW than W. Helium cavities are aggregated preferentially along the NiFeW/W interphase boundary. This behavior is not observed along the W/W grain boundary under the same irradiation conditions. A similar distribution of He cavities with comparable sizes is observed in 87R DPT W irradiated with He + ions only, suggesting that the He cavity distribution is not significantly affected by pre-irradiation of Ni + ions at 973 K. The data from this study does not provide any evidence for formation of visible voids or Ni precipitates in W phase irradiated with Ni + ions only. Diffusion and clustering of He atoms and mobile vacancies during ion irradiation at 973 K are responsible for the formation and growth of the He cavities.

36 MATERIALS SCIENCE↗

DEIMoS GUI: An Open-Source User Interface for a High-Dimensional Mass Spectrometry Data Processing Tool

In this paper, we report the creation of a graphical user interface (GUI) for the Data Extraction for Integrated Multidimensional Spectrometry (DEIMoS) tool. DEIMoS is a Python package to process data from high-dimensional mass spectrometry measurements. It is divided into several modules, each representing a data processing step, such as peak detection, alignment, and tandem mass spectra extraction and deconvolution. The inputs for and outputs from DEIMoS can include millions of N-dimensional data points, which can be challenging to visualize in a way that is interactive, informative, and responsive. Here, we used the HoloViz Python data stack, including DataShader and Param, to create an interactive visualization of mass spectrometry data. We believe the GUI will increase the accessibility of DEIMoS, and the visualization methods could be useful for other open-source mass spectrometry tools.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A reduced-order modeling approach to represent subgrid-scale hydrological dynamics for land-surface simulations: application in a polygonal tundra landscape

Existing land surface models (LSMs) describe physical and biological processes that occur over a wide range of spatial and temporal scales. For example, biogeochemical and hydrological processes responsible for carbon (CO 2 , CH 4 ) exchanges with the atmosphere range from the molecular scale (pore-scale O 2 consumption) to tens of kilometers (vegetation distribution, river networks). Additionally, many processes within LSMs are nonlinearly coupled (e.g., methane production and soil moisture dynamics), and therefore simple linear upscaling techniques can result in large prediction error. In this paper we applied a reduced-order modeling (ROM) technique known as "proper orthogonal decomposition mapping method" that reconstructs temporally resolved fine-resolution solutions based on coarse-resolution solutions. We developed four different methods and applied them to four study sites in a polygonal tundra landscape near Barrow, Alaska. Coupled surface–subsurface isothermal simulations were performed for summer months (June–September) at fine (0.25 m) and coarse (8 m) horizontal resolutions. We used simulation results from three summer seasons (1998–2000) to build ROMs of the 4-D soil moisture field for the study sites individually (single-site) and aggregated (multi-site). The results indicate that the ROM produced a significant computational speedup (> 10 3 ) with very small relative approximation error (< 0.1%) for 2 validation years not used in training the ROM. We also demonstrate that our approach: (1) efficiently corrects for coarse-resolution model bias and (2) can be used for polygonal tundra sites not included in the training data set with relatively good accuracy (< 1.7% relative error), thereby allowing for the possibility of applying these ROMs across a much larger landscape. By coupling the ROMs constructed at different scales together hierarchically, this method has the potential to efficiently increase the resolution of land models for coupled climate simulations to spatial scales consistent with mechanistic physical process representation.

Pau, G. S. H.↗

Two puzzling aspects of protein crystal growth

A study is presented of several mechanisms which may reduce crystal growth rates and or terminate crystal growth. It is found that salt gradients which change the local chemical potential of the protein are insufficient to account for the slow crystal growth rates which have been reported. Contaminants which adsorb protein from solution may reduce the effective protein concentration, but the impurity's concentration and its affinity for protein are unknown. Association of protein molecules in bulk solution can reduce the monomer concentration significantly, but extant theory and experiment are not sensitive enough to determine the actual concentration of aggregates in solution. For systems of interest, shear-induced effects were found to be too weak to interfere with normal binding of incoming protein molecules. Although we found that most crystal growth occurs in a regime where both interfacial kinetics and diffusion influence crystal growth, the role of mass transfer rates on the terminal size of crystals is unknown, primarily because no data exist which cover the size range of interest (0.1 mm to 1 mm in length).

Grant, M. L.↗

Process and information integration via hypermedia

Success stories for advanced automation prototypes abound in the literature but the deployments of practical large systems are few in number. There are several factors that militate against the maturation of such prototypes into products. Here, the integration of advanced automation software into large systems is discussed. Advanced automation systems tend to be specific applications that need to be integrated and aggregated into larger systems. Systems integration can be achieved by providing expert user-developers with verified tools to efficiently create small systems that interface to large systems through standard interfaces. The use of hypermedia as such a tool in the context of the ground control centers that support Shuttle and space station operations is explored. Hypermedia can be an integrating platform for data, conventional software, and advanced automation software, enabling data integration through the display of diverse types of information and through the creation of associative links between chunks of information. Further, hypermedia enables process integration through graphical invoking of system functions. Through analysis and examples, researchers illustrate how diverse information and processing paradigms can be integrated into a single software platform.

Hammen, David G.↗

Land cover stratification using Landsat Thematic Mapper data in Sahelian and Sudanian woodland and wooded grassland

A standard methodology for thematic mapping of natural vegetation using remotely sensed imagery and digital image processing was modified to account for the spatial and spectral properties of semi-arid landscapes, and tested in study areas in the Sahelian and Sudanian zones, Mali. A principal components transformation of registered wet and dry season Landsat TM images produced a set of synthetic spectral channels differentiating vegetation cover between seasons, and allowed areas with annual grass growth to be distinguished from areas with woody cover. The transformed data were statistically clustered and clusters were assigned to vegetation type and density categories. In a separate step, the images were manually interpreted to differentiate broad soil classes. Four statistics were compared to evaluate the accuracy of the maps based on sample points from air photos. For the relatively detailed categories initially defined, map accuracies were substandard; however, when vegetation density classes were aggregated, overall accuracy was around 90 percent, and class accuracy was greater than 80 percent for most classes. This method is suitable for stratification and inventory of woody biomass at a regional scale in semi-arid woodland and wooded grassland.

Franklin, J.↗

Synthesis of nano-sized ZnO particles by co-precipitation method with variation of heating time

Zinc oxide powders have been synthesized by a co-precipitation method at low temperature (85 °C), using zinc acetate dihydrate, ammonia, hydrochloric acid solutions as the reactants. A number of process parameters such as reaction temperature, solution basicity or pH and heating time are the main factors affecting the morphology and physical properties of the ZnO nanostructures. In this work the effect of heating time on the morphology and particles size were studied. The as-synthesized ZnO powders were characterized using transmission electron microscopy (TEM) and X-ray diffraction (XRD) techniques. The samples were also analyzed using Fourier transform infrared (FTIR). Rietveld refinement of XRD data confirms that ZnO crystallizes in the hexagonal wurtzite structure with high degree of purity and the (101) plane predominant. The XRD results show that the average crystallite sizes were about 66, 27 and 12 nm for 3, 4 and 5 h of heating times, respectively. The XRD analysis indicated that a fraction of nano-sized ZnO powders were in the form of aggregates, which was also verified by TEM image. The TEM photograph demonstrated that the nano-sized ZnO particles were a pseudo-spherical shape.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structure and physicochemical properties of thin film photosemiconductor cells based on porphine derivatives

Photosemiconductor thin films based on two organic porphine derivatives have been investigated. These compounds have different pendent groups; the film morphology, along with the specific fabrication technique, is determined to a great extent by these groups. The films have been fabricated by vacuum sputtering and using the Langmuir−Schaefer method. According to the atomic force microscopy (AFM) data, the Langmuir−Schaefer films are more homogeneous than the sputtered ones. It is shown that the sputtered films based on substituted porphine have a looser stacking than the initial analog. A spectroscopy study revealed a bathochromic shift of the Soret band in the Langmuir−Schaefer films–sputtered films series. This shift is explained by the increase in the concentration and size of molecular aggregates in sputtered films. It is shown that a polycrystalline C{sub 60} fullerene film deposited onto an amorphous substituted porphine layer improves the photoelectric characteristics of the latter. Both the time stability of the photodiode structure and its ampere‒watt sensitivity increase (by a factor of 10 in the transition regime). The steady-state current does not change. The effect of polarity reversal of the photovoltaic signal is observed in a planar C{sub 60}‒substituted metalloporphine heterostructure, which is similar to the pyroelectric effect. The polarity reversal can be explained by the contribution of the trap charge and discharge current at the interface between the amorphous photosemiconductor and crystalline photosemiconductor to the resulting photoelectric current.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

PyCMG-based Simulation of Volumetric Concrete Microstructure

Concrete is a complex, heterogeneous material with a microstructure composed of aggregates, cement paste, and pores spanning multiple length scales. Understanding this microstructure is critical for advancing the performance, durability, and modeling of concrete-based systems. While experimental imaging such as X-ray computed tomography (XCT) provides valuable insights, generating large datasets with detailed ground truth annotations is both costly and labor-intensive due to challenges in segmenting similar phases, such as aggregates and cement paste, that often share similar attenuation properties. To address this, we developed a pipeline to simulate realistic 3D concrete microstructures using the open-source Python package PyCMG. This simulation effort focuses on generating high-fidelity, annotated microstructures that can serve as training or benchmarking datasets for image analysis, segmentation algorithms, and machine learning models, particularly in scenarios where experimental data is scarce.

Ziabari, Amir [Oak Ridge National Laboratory; ORNL↗

MCNP6 Cerenkov Radiation Feature Verification

The MCNP6 code has being upgraded to treat Cerenkov radiation emission. Emission is performed using the Frank-Tamm Cerenkov theory with piecewiseconstant coefficients. This document discusses preliminary verification efforts for the Cerenkov feature. Tests were conducted using MCNP6 version MCNP6_Beta3_branch_r. The Frank-Tamm formulation has been coded in an auxiliary Perl script cr.pl. Comparisons of the photon production per wavelength bin and the aggregate photon production are made for 4-MeV electrons and 4000- MeV alphas in water using MCNP6 and cr.pl. The agreement is excellent. Verification calculations for the spectrum of light emerging from the surface of the water are presented for constant, Cauchy, and Sellmeier treatments of the refractive index. Efforts to conduct validation studies were limited by lack of time and limited useful measured data.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

The NASA data systems standardization program - Rationale and scope

A simple, top level logical reference model of the NASA Space Transportation System's end-to-end data system is being developed which can identify the functions and services of the system. Each function or service may be mapped into specific physical subsystems, so that interface relationships are evident and 'standard' protocols may be identified for development. By means of this interface standardization, subsystems can be designed not only independently and in parallel, but with confidence that when the subsystems are aggregated, the end-to-end system will operate efficiently and at low cost. This standardization effort has thus far been principally directed toward space-to-ground communications links.

Smylie, R. E.↗

Herbarium records provide reliable phenology estimates in the understudied tropics

1. Plant phenology has been shifting dramatically in response to climate change, a shift that may have significant and widespread ecological consequences. Of particular concern are tropical biomes, which represent the most biodiverse and imperilled regions of the world. However, compared to temperate floras, we know little about phenological responses of tropical plants because long-term observational datasets from the tropics are sparse. 2. Herbarium specimens have greatly increased our phenological knowledge in temperate regions, but similar data have been underutilized in the tropics and their suitability for this purpose has not been broadly validated. Here, we compare phenological estimates derived from field observational data (i.e. plot surveys) and herbarium specimens at various spatial and taxonomic scales to determine whether specimens can provide accurate estimations of reproductive timing and its spatial variation. 3. Here, we demonstrate that phenological estimates from field observations and herbarium specimens coincide well. Fewer than 5% of the species exhibited significant differences between flowering periods inferred from field observations versus specimens regardless of spatial aggregation. In contrast to studies based on field records, herbarium specimens sampled much larger geographic and climatic ranges, as has been documented previously for temperate plants, and effectively captured phenological responses across varied environments. 4. Synthesis. Herbarium specimens are verified to be a vital resource for closing the gap in our phenological knowledge of tropical systems. Tropical plant reproductive phenology inferred from herbarium records is widely congruent with field observations, suggesting that they can and should be used to investigate phenological variation and their associated environmental cues more broadly across tropical biomes.

Brazil↗

The Satellite Needs Working Group (SNWG) Biennial Survey: Analyzing Satellite Earth Observation Needs Across U.S. Federal Civilian Agencies

The Satellite Needs Working Group (SNWG) is part of the U.S. Group on Earth Observations (USGEO) and was established to identify high-priority Earth observation satellite needs across U.S. federal civilian agencies. Federal agencies often rely on Earth observation data to fulfill multidisciplinary agency responsibilities such as assessing agricultural crop conditions, detecting wildfires, and monitoring water quality; however, the data sets and tools required to meet these needs are not always readily available or accessible to agency personnel. SNWG conducts a biennial survey of federal satellite needs in order to bridge the gap between Earth observation data providers and their government stakeholders and users. The SNWG Management Office completes an analysis of these survey submissions to gain insight into the types of satellite needs that exist across the government. Within the survey, agencies provide details on how satellite data are used to meet their objectives, measurement requirements needed for their use cases, and gaps that exist in currently available satellite data products and services. For the SNWG 2024 cycle, there were 125 surveys submitted from 25 different agencies. This presentation will discuss findings from the statistical analysis of the SNWG 2024 survey responses and highlight the diverse nature of the needs, common themes in agency requests, and differences in the responses compared to previous cycles. The presentation will also discuss the newly approved SNWG Aggregate Statistics Report that will make these analysis results available to the public and help inform what’s next for science.

Essence Raphael↗

Amyloid structure exhibits polymorphism on multiple length scales in human brain tissue

Although aggregation of Aβ amyloid fibrils into plaques in the brain is a hallmark of Alzheimer's Disease (AD), the correlation between amyloid burden and severity of symptoms is weak. One possible reason is that amyloid fibrils are structurally polymorphic and different polymorphs may contribute differentially to disease. However, the occurrence and distribution of amyloid polymorphisms in human brain is poorly documented. Here we seek to fill this knowledge gap by using X-ray microdiffraction of histological sections of human tissue to map the abundance, orientation and structural heterogeneities of amyloid within individual plaques; among proximal plaques and in subjects with distinct clinical histories. A 5 µ x-ray beam was used to generate diffraction data with each pattern arising from a scattering volume of only ~ 450 µ3 , making possible collection of dozens to hundreds of diffraction patterns from a single amyloid plaque. X-ray scattering from these samples exhibited all the properties expected for scattering from amyloid. Amyloid distribution was mapped using the intensity of its signature 4.7 Å reflection which also provided information on the orientation of amyloid fibrils across plaques. Margins of plaques exhibited a greater degree of orientation than cores and orientation around blood vessels frequently appeared tangential. Variation in the structure of Aβ fibrils is reflected in the shape of the 4.7 Å peak which usually appears as a doublet. Variations in this peak correspond to differences between the structure of amyloid within cores of plaques and at their periphery. Examination of tissue from a mismatch case - an individual with high plaque burden but no overt signs of dementia at time of death - revealed a diversity of structure and spatial distribution of amyloid that is distinct from typical AD cases. As a result, we demonstrate the existence of structural polymorphisms among amyloid within and among plaques of a single individual and suggest the existence of distinct differences in the organization of amyloid in subjects with different clinical presentations.

59 BASIC BIOLOGICAL SCIENCES↗

Genesis of Active Pt/CeO 2 Catalyst for Dry Reforming of Methane by Reduction and Aggregation of Isolated Platinum Atoms into Clusters

Atomically dispersed metal catalysts offer the advantages of efficient metal utilization and high selectivities for reactions of technological importance. Such catalysts have been suggested to be strong candidates for dry reforming of methane (DRM), offering prospects of high selectivity for synthesis gas without coke formation, which requires ensembles of metal sites and is a challenge to overcome in DRM catalysis. However, investigations of the structures of isolated metal sites on metal oxide supports under DRM conditions are lacking, and the catalytically active sites remain undetermined. Data characterizing the DRM reaction-driven structural evolution of a cerium oxide- supported catalyst, initially incorporating atomically dispersed platinum, and the corresponding changes in catalyst performance are reported. X-ray absorption and infrared spectra show that the reduction and agglomeration of isolated cationic platinum atoms to form small platinum clusters/nanoparticles are necessary for DRM activity. Density functional theory calculations of the energy barriers for methane dissociation on atomically dispersed platinum and on platinum clusters support these observations. Here the results emphasize the need for in-operando experiments to assess the active sites in such catalysts. The inferences about the catalytically active species are suggested to pertain to a broad class of catalytic conversions involving the rate-limiting dissociation of light alkanes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Using Satellite Data to Characterize Land Surface Processes in Morocco

This study endeavors to produce a comprehensive land cover map for Morocco, addressing the absence of such a detailed map in the country. Our research encompasses ecological and climatic aspects specific to Morocco, while the methods used can be adapted to various regions and countries, considering their unique climatic conditions and land cover types. A combination of MODIS and Landsat datasets was employed to create a 5 km resolution Land Use and Land Cover (LULC) map for the entire nation. The process involved the aggregation and advanced processing of these datasets using surface processes algorithms. The resulting LULC map is the first of its kind for Morocco, shedding light on land cover distribution nationwide. It shows that approximately 13.5% of the country is covered by forests, predominantly in the Atlas and Rif mountains, Rabat–Sale, and the southern regions. Grasslands occupy over 16% of the study area, mainly in the north-east and west. Urban areas, including major cities like Casablanca, Rabat, and Marrakech, span nearly 3400 km². Moreover, large areas of shrublands and bare lands are evident across the country, while agricultural lands account for almost 20% of the national territory, mainly in the interior plains and north-western Atlantic coast. This study forms a crucial basis for ecological and climatic research in Morocco and serves as a valuable reference for various disciplines such as agriculture, natural resource management, and climate modeling. The mapping of biophysical parameters for each land cover class is a key feature of our research, and these parameters will be instrumental in a subsequent study examining the impact of urban development on surface climate in Morocco. Overall, our study underscores the importance of understanding biophysical parameters in addressing environmental and societal challenges.

Mohammed Thaiki↗

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