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At least 163 records · Page 9

Discriminative analysis of schizophrenia patients using graph convolutional networks: A combined multimodal MRI and connectomics analysis

Introduction Recent studies in human brain connectomics with multimodal magnetic resonance imaging (MRI) data have widely reported abnormalities in brain structure, function and connectivity associated with schizophrenia (SZ). However, most previous discriminative studies of SZ patients were based on MRI features of brain regions, ignoring the complex relationships within brain networks. Methods We applied a graph convolutional network (GCN) to discriminating SZ patients using the features of brain region and connectivity derived from a combined multimodal MRI and connectomics analysis. Structural magnetic resonance imaging (sMRI) and resting-state functional magnetic resonance imaging (rs-fMRI) data were acquired from 140 SZ patients and 205 normal controls. Eighteen types of brain graphs were constructed for each subject using 3 types of node features, 3 types of edge features, and 2 brain atlases. We investigated the performance of 18 brain graphs and used the TopK pooling layers to highlight salient brain regions (nodes in the graph). Results The GCN model, which used functional connectivity as edge features and multimodal features (sMRI + fMRI) of brain regions as node features, obtained the highest average accuracy of 95.8%, and outperformed other existing classification studies in SZ patients. In the explainability analysis, we reported that the top 10 salient brain regions, predominantly distributed in the prefrontal and occipital cortices, were mainly involved in the systems of emotion and visual processing. Discussion Our findings demonstrated that GCN with a combined multimodal MRI and connectomics analysis can effectively improve the classification of SZ at an individual level, indicating a promising direction for the diagnosis of SZ patients. The code is available at https://github.com/CXY-scut/GCN-SZ.git .

Chen, Xiaoyi↗

An expert system shell for inferring vegetation characteristics

The NASA VEGetation Workbench (VEG) is a knowledge based system that infers vegetation characteristics from reflectance data. VEG is described in detail in several references. The first generation version of VEG was extended. In the first year of this contract, an interface to a file of unknown cover type data was constructed. An interface that allowed the results of VEG to be written to a file was also implemented. A learning system that learned class descriptions from a data base of historical cover type data and then used the learned class descriptions to classify an unknown sample was built. This system had an interface that integrated it into the rest of VEG. The VEG subgoal PROPORTION.GROUND.COVER was completed and a number of additional techniques that inferred the proportion ground cover of a sample were implemented. This work was previously described. The work carried out in the second year of the contract is described. The historical cover type database was removed from VEG and stored as a series of flat files that are external to VEG. An interface to the files was provided. The framework and interface for two new VEG subgoals that estimate the atmospheric effect on reflectance data were built. A new interface that allows the scientist to add techniques to VEG without assistance from the developer was designed and implemented. A prototype Help System that allows the user to get more information about each screen in the VEG interface was also added to VEG.

Harrison, P. Ann↗

Fabrication and Characterization of A Lunar Simulant-Based Sintered Construction Material

In-situ resource utilization (ISRU) is critical to enable future efforts to have a long-term human presence on the Moon as well as Mars. ISRU technologies are being developed for radiation protection, dust mitigation, thermal insulation, and other applications. One such ISRU technology for creating construction materials out of lunar and Martian regolith is sintering, which is a thermal-based construction process that bonds finely grained material together at temperatures below the melting point. However, the conditions employed during the sintering, such as temperature, atmospheric composition, duration of the process, and pressure, can have a significant impact on the quality and strength of the resulting materials. In parallel, the development of methods for characterizing the quality, porosity, density, and other properties of these materials is critical. X-ray computed tomography (X-ray CT) can image large changes in density within a material, such as the presence of pores throughout an otherwise uniform medium, with relatively high spatial resolution. Similarly, Terahertz time-domain spectroscopic (THz-TDS) imaging is sensitive to density variations within samples, but is restricted to non-conducting materials. Specifically, previous work has shown that the refractive index (n eff ) values obtained through the analysis of THz-TDS images increases with increasing density within plastic samples. Even further, this work showed that it is possible to create a calibration curve for a given material from samples of different, but known density, which can enable one to directly convert n eff to density for samples having the same composition, but unknown density. Here, we report on the fabrication of a lunar simulant-based sintered construction material using vacuum hot pressed (VHP) sintering, then show X-ray CT and THz-TDS imaging results of the sample, which show spatial variations in the material. This has important implications for efforts to improve these types of lunar construction material processes and verify the quality of these materials in terms of consolidation. To the best of our knowledge, there is no previous work utilizing VHP sintering to make lunar simulant-based construction materials or exploring the feasibility of THz imaging to spatially map the density variation through a lunar simulant-based construction material.

Terahertz time-domain spectroscopic imaging↗

Solar corona studies using normal-incidence X-ray optics

The progress which has been made in constructing a new type of X-ray telescope, which operates at normal incidence in the soft X-ray region by the use of multilayer coatings is described. The principles involved in state-of-the-art multilayer technology and some high-resolution imaging results are discussed. A rocket payload incorporating a multilayer X-ray mirror is presently being constructed. It is of Ritchey-Chretien design and the expected spatial resolution is 1/4 arcsec. The scientific program for solar-coronal studies and future instrumental developments are also discussed.

Golub, L.↗

Molecular dynamics simulation studies of the wild type and E92Q/N155H mutant of Elvitegravir-resistance HIV-1 integrase

Although Elvitegravir (EVG) is a newly developed antiretrovirals drug to treat the acquired immunodeficiency syndrome (AIDS), drug resistance has already been found in clinic, such as E92Q/N155H and Q148H/G140S. Several structural investigations have already been reported to reveal the molecular mechanism of the drug resistance. As full length crystal structure for HIV-1 integrase is still unsolved, we use in this paper the crystal structure of the full length prototype foamy virus (PFV) in complex with virus DNA and inhibitor Elvitegravir as a template to construct the wild type and E92Q/N155H mutant system of HIV-1 integrase. Molecular dynamic simulations was used to revel the binding mode and the drug resistance of the EVG ligand in E92Q/N155H. Several important interactions were discovered between the mutated residues and the residues in the active site of the E92Q/N155H double mutant pattern, and cross correlation and clustering methods were used for detailed analysis. The results from the MD simulation studies will be used to guide the experimental efforts of developing novel inhibitors against drug-resistant HIV integrase mutants.

59 BASIC BIOLOGICAL SCIENCES↗

Phase Calibration of Microphones by Measurement in the Free-field

Over the past several years, significant effort has been expended at NASA Langley developing new Micro-Electro-Mechanical System (MEMS)-based microphone directional array instrumentation for high-frequency aeroacoustic measurements in wind tunnels. This new type of array construction solves two challenges which have limited the widespread use of large channel-count arrays, namely by providing a lower cost-per-channel and a simpler method for mounting microphones in wind tunnels and in field-deployable arrays. The current generation of array instrumentation is capable of extracting accurate noise source location and directivity on a variety of airframe components using sophisticated data reduction algorithms [1-2]. Commercially-available MEMS microphones are condenser-type devices and have some desirable characteristics when compared with conventional condenser-type microphones. The most important advantages of MEMS microphones are their size, price, and power consumption. However, the commercially-available units suffer from certain important shortcomings. Based on experiments with array prototypes, it was found that both the bandwidth and the sound pressure limit of the microphones should be increased significantly to improve the performance and flexibility of the microphone array [3]. It was also desired to modify the packaging to eliminate unwanted Helmholtz resonance s exhibited by the commercial devices. Thus, new requirements were defined as follows: Frequency response: 100 Hz to 100 KHz (+/-3dB) Upper sound pressure limit: Design 1: 130 dB SPL (THD less than 5%) Design 2: 150-160 dB SPL (THD less than 5%) Packaging: 3.73 x 6.13 x 1.3 mm can with laser-etched lid. In collaboration with Novusonic Acoustic Innovation, NASA modified a Knowles SiSonic MEMS design to meet these new requirements. Coupled with the design of the enhanced MEMS microphones was the development of a new calibration method for simultaneously obtaining the sensitivity and phase response of the devices over their entire broadband frequency range. Traditionally, electrostatic actuators (EA) have been used to characterize air-condenser microphones; however, MEMS microphones are not adaptable to the EA method due to their construction and very small diaphragm size [4]. Hence a substitution based, free-field method was developed to calibrate these microphones at frequencies up to 80 kHz. The technique relied on the use of a random, ultrasonic broadband centrifugal sound source located in a small anechoic chamber. The free-field sensitivity (voltage per unit sound pressure) was obtained using the procedure outlined in reference 4. Phase calibrations of the MEMS microphones were derived from cross spectral phase comparisons between the reference and test substitution microphones and an adjacent and invariant grazing-incidence 1/8-inch standard microphone. The free-field calibration procedure along with representative sensitivity and phase responses for the new high-frequency MEMS microphones are presented here.

Shams, Qamar A.↗

Supervolcanoes Within an Ancient Volcanic Province in Arabia Terra, Mars

Several irregularly shaped craters located within Arabia Terra, Mars represent a new type of highland volcanic construct and together constitute a previously unrecognized martian igneous province. Similar to terrestrial supervolcanoes, these low-relief paterae display a range of geomorphic features related to structural collapse, effusive volcanism, and explosive eruptions. Extruded lavas contributed to the formation of enigmatic highland ridged plains in Arabia Terra. Outgassed sulfur and erupted fine-grained pyroclastics from these calderas likely fed the formation of altered, layered sedimentary rocks and fretted terrain found throughout the equatorial region. Discovery of a new type of volcanic construct in the Arabia volcanic province fundamentally changes the picture of ancient volcanism and climate evolution on Mars. Other eroded topographic basins in the ancient Martian highlands that have been dismissed as degraded impact craters should be reconsidered as possible volcanic constructs formed in an early phase of widespread, disseminated magmatism on Mars.

Mars↗

Structural and compositional complexities of hierarchical self-assembly: A hypergraph approach

Programmable self-assembly enables the construction of complex molecular, supramolecular, and crystalline architectures from well-designed building blocks. In this work, we introduce a hypergraph-based formalism, Blocks & Bonds (B&B), which generalizes classical chemical graph theory by incorporating directed and multicolored interactions, internal symmetries, and hierarchical organization. Within this framework, we develop the Structure Code (SC), a compact and versatile language for describing self-assembled architectures. We define a Kolmogorov-style structural complexity as the total information content of SC, obtained through its tokenization and Shannon information assignment. Complementing this encoding-based measure, we introduce a much simpler quantity, the compositional complexity, which depends only on the number and cumulative usage of block and bond types in the construction set. A central result of this work is a strong empirical correlation between the token-based structural complexity and the compositional complexity across all examined systems. Owing to this agreement, the compositional complexity emerges as the most practical and broadly applicable measure: it is easy to compute, requires no explicit encoding, and yet closely tracks the actual information content of structurally diverse architectures. Applications to molecular systems (ethylene glycol and glucose), DNA-origami lattices, and crystalline assemblies show that B&B hypergraphs provide a unified, scalable, and information-efficient representation of structural organization, naturally capturing symmetry, modularity, and stereochemistry. This framework establishes a quantitative foundation for complexity-aware classification and inverse design of programmable matter.

36 MATERIALS SCIENCE↗

Distributions in CFT. Part I. Cross-ratio space

We show that the four-point functions in conformal field theory are defined as distributions on the boundary of the region of convergence of the conformal block expansion. The conformal block expansion converges in the sense of distributions on this boundary, i.e. it can be integrated term by term against appropriate test functions. This can be interpreted as a giving a new class of functionals that satisfy the swapping property when applied to the crossing equation, and we comment on the relation of our construction to other types of functionals. Our language is useful in all considerations involving the boundary of the region of convergence, e.g. for deriving the dispersion relations. We establish our results by elementary methods, relying only on crossing symmetry and the standard convergence properties of the conformal block expansion. This is the first in a series of papers on distributional properties of correlation functions in conformal field theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Global Existence and Decay Rates of the Solutions Near Maxwellian for Non-linear Fokker–Planck Equations

In this paper, we study the global existence and decay rates of the solutions near Maxwellian for non-linear Fokker–Planck equations in the whole space. The global existence is proved by combining uniform-in-time energy estimates with local solution constructed by Picard type iteration sequence. The decay rates of the nonlinear model is obtained by using the precise spectral analysis of the linearized Fokker–Planck operator as well as the energy method. The nonlinearity in the model brings new difficulty to the energy estimates, which is resolved by additional tailored weighted-in-v energy estimates suitable for Fokker–Planck operators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The growth and assembly of organic molecules and inorganic 2D materials on graphene for van der Waals heterostructures

The unique properties of graphene have made it a promising material for integration in future electronic applications. The idealized surface of graphene, atomically-flat and without dangling bonds, offers the opportunity to understand the assembly of organic and inorganic molecules to form a wide range of ordered architectures and functional graphene-based heterostructures. In this review, we summarize recent progress in the growth of hierarchical nanostructures on graphene. The self-assembly of organic molecules and inorganic two-dimensional (2D) layers on graphene for the construction of various types of heterostructures are highlighted. Van der Waals interactions between the assembled molecules and graphene are shown to allow the formation of highly-ordered structures with preferred molecular orientations and stacking configurations that circumvent the strict lattice-matching requirements in traditional epitaxial growth. Lastly, we briefly discuss representative applications of graphene-based heterostructures in electronic and optoelectronics.

36 MATERIALS SCIENCE↗

Tensile performance of sustainable Strain-Hardening Cementitious Composites with hybrid PVA and recycled PET fibers

Highlights: • SHCCs with hybrid PVA/PET fibers are theoretically and experimentally studied. • A semi-empirical way to predict strain capacity of hybrid-fiber SHCCs is proposed. • The impacts of PET fiber surface treatment and curing time are explored. • SHCCs achieve satisfactory performance even 50% PVA fibers are replaced by PET fibers. • Using PET fibers in SHCCs effectively reduces material cost and environmental impact. - Abstract: Strain-Hardening Cementitious Composite (SHCC) is a type of advanced construction material that can enhance the resiliency and durability of structures. However, the high cost of the constituents limits the wide application of SHCCs. To reduce the material cost and improve the sustainability, this study explores the potential of replacing commonly-used polyvinyl alcohol (PVA) fibers by recycled polyethylene terephthalate (PET) fibers. The potential of fiber hybridization was first evaluated using micromechanical modeling, and the ultimate tensile strain of hybrid-fiber SHCCs was estimated using a semi-empirical method. Then the tensile performance of SHCCs after standard curing and accelerated aging was experimentally evaluated, and the crack pattern development with increasing tensile strain was recorded. Satisfactory mechanical performance can be achieved even when 50% of PVA fibers are replaced by recycled PET fibers with surface treatment. In addition, using recycled PET fibers in SHCCs can significantly reduce the material cost and environmental impact.

36 MATERIALS SCIENCE↗

Uranium(VI) coordination polymers with pyromellitate ligand: Unique 1D channel structures and diverse fluorescence

Three new coordination polymers of uranium(VI) with pyromellitic acid (H{sub 4}btca) have been synthesized and structurally characterized. (ED)[(UO{sub 2})(btca)]·(DMSO)·3H{sub 2}O (1) (ED=ethylenediammonium; DMSO=dimethylsulfoxide) has a lamellar structure with intercalation of ED and DMSO. (NH{sub 4}){sub 2}[(UO{sub 2}){sub 6}O{sub 2}(OH){sub 6}(btca)]·~6H{sub 2}O (2) has a 3D framework built from 7-fold coordinated uranyl trinuclear units and btca ligands with 1D diamond-shaped channels (~8.5 Å×~8.6 Å). [(UO{sub 2}){sub 2}(H{sub 2}O)(btca)]·4H{sub 2}O (3) has a 3D network constructed by two types of 7-fold coordinated uranium polyhedron. The unique μ{sub 5}-coordination mode of btca in 3 enables the formation of 1D olive-shaped large channels (~4.5 Å×~19 Å). Vibrational modes, thermal stabilities and fluorescence properties have been investigated. - Graphical abstract: Table of content: three new uranium(VI) coordination polymers with pyromellitic acid (H{sub 4}btca) have been synthesized via room temperature and hydrothermal synthesis methods, and structurally characterized. Two to three dimensional (3D) frameworks are revealed. All 3D frameworks have unique 1D large channels. Their vibrational modes, thermal stabilities and photoluminescence properties have been investigated. - Highlights: • Three new coordination polymers of U(VI) with pyromellitic acid (H{sub 4}btca). • Structures from a 2D layer to 3D frameworks with unique 1D channels. • Unusual µ{sub 5}-(η{sub 1}:η{sub 2}:η{sub 1}:η{sub 2:}η{sub 1}) coordination mode of btca ligand. • Vibrational modes, thermal stabilities and luminescent properties reported.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Novel synthesis of plasmonic Bi{sub 2}Sn{sub 2}O{sub 7}/Ag-AgCl nanocomposite with enhanced visible light photocatalytic property

Highlights: • Stable Bi{sub 2}Sn{sub 2}O{sub 7}/Ag/AgCl composite is prepared by an easy-completing method for the first time. • The Bi{sub 2}Sn{sub 2}O{sub 7}/Ag/AgCl composite has remarkably enhanced photocatalytic activity under visible light irradiation. • The enhanced photocatalytic activity is attributed to enhanced visible-light absorption and high separation efficiency of electron-hole pairs. • The possible mechanism of photocatalysis enhancement is investigated and illustrated. - Abstract: We report a novel Bi{sub 2}Sn{sub 2}O{sub 7}/Ag-AgCl photocatalysts with excellent visible-light-driven photocatalytic properties. The crystalline Bi{sub 2}Sn{sub 2}O{sub 7} was synthesized by solid-state reaction at 550 °C. Then Bi{sub 2}Sn{sub 2}O{sub 7}/Ag-AgCl was prepared using deposition-precipitation technique followed by photo-reduction of partial Ag{sup +} to Ag{sup 0} nanoparticles on surface of AgCl. The photocatalysis were evaluated by degrading organic dyes under controlled conditions. The Bi{sub 2}Sn{sub 2}O{sub 7}/Ag-AgCl composite exhibited a much improved photocatalysis, approximately 7 times stronger than that of pure Bi{sub 2}Sn{sub 2}O{sub 7}, primarily due to its enhanced visible-light absorption and high separation efficiency of charge. On the basis of band structure analysis, a possible mechanism of photocatalysis enhancement for Bi{sub 2}Sn{sub 2}O{sub 7}/Ag-AgCl is proposed. The strong photocatalytic capability, together with simplicity of fabrication suggests Bi{sub 2}Sn{sub 2}O{sub 7}/Ag-AgCl composite provided in this study may have certain practical applications in water treatments. Additionally, the study implies a novel but simple methodology that may be also applicable in construction of other types of single semiconductor/plasmonic composite photocatalysts.

36 MATERIALS SCIENCE↗

Langmuir–Blodgett Thin Films of Diketopyrrolopyrrole-Based Amphiphiles

Here, we report on two π-conjugated donor–acceptor–donor (D–A–D) molecules of amphiphilic nature, aiming to promote intermolecular ordering and carrier mobility in organic electronic devices. Diketopyrrolopyrrole was selected as the acceptor moiety that was disubstituted with nonpolar and polar functional groups, thereby providing the amphiphilic structures. This structural design resulted in materials with a strong intermolecular order in the solid state, which was confirmed by differential scanning calorimetry and polarized optical microscopy. Langmuir–Blodgett (LB) films of ordered mono- and multilayers were transferred onto glass and silicon substrates, with layer quality, coverage, and intermolecular order controlled by layer compression pressure on the LB trough. Organic field-effect transistors and organic photovoltaics devices with active layers consisting of the amphiphilic conjugated D–A–D-type molecules were constructed to demonstrate that the LB technique is an effective layer-by-layer deposition approach to fabricate self-assembled, ordered thin films.

36 MATERIALS SCIENCE↗

Task-oriented machine learning surrogates for tipping points of agent-based models

We present a machine learning framework bridging manifold learning, neural networks, Gaussian processes, and Equation-Free multiscale approach, for the construction of different types of effective reduced order models from detailed agent-based simulators and the systematic multiscale numerical analysis of their emergent dynamics. The specific tasks of interest here include the detection of tipping points, and the uncertainty quantification of rare events near them. Our illustrative examples are an event-driven, stochastic financial market model describing the mimetic behavior of traders, and a compartmental stochastic epidemic model on an Erdös-Rényi network. We contrast the pros and cons of the different types of surrogate models and the effort involved in learning them. Importantly, the proposed framework reveals that, around the tipping points, the emergent dynamics of both benchmark examples can be effectively described by a one-dimensional stochastic differential equation, thus revealing the intrinsic dimensionality of the normal form of the specific type of the tipping point. This allows a significant reduction in the computational cost of the tasks of interest.

97 MATHEMATICS AND COMPUTING↗

Electron energy distribution function by using probe method in electron cyclotron resonance multicharged ion source

We are constructing a tandem type electron cyclotron resonance (ECR) ion source (ECRIS). High-energy electrons in ECRIS plasma affect electron energy distribution and generate multicharged ion. In this study, we measure electron energy distribution function (EEDF) of low energy region (≦100 eV) in ECRIS plasma at extremely low pressures (10{sup −3}–10{sup −5} Pa) by using cylindrical Langmuir probe. From the result, it is found that the EEDF correlates with the electron density and the temperature from the conventional probe analysis. In addition, we confirm that the tail of EEDF spreads to high energy region as the pressure rises and that there are electrons with high energy in ECR multicharged ion source plasma. The effective temperature estimated from the experimentally obtained EEDF is larger than the electron temperature obtained from the conventional method.

43 PARTICLE ACCELERATORS↗

Enhanced production of electron cyclotron resonance plasma by exciting selective microwave mode on a large-bore electron cyclotron resonance ion source with permanent magnet

We are constructing a tandem type ECRIS. The first stage is large-bore with cylindrically comb-shaped magnet. We optimize the ion beam current and ion saturation current by a mobile plate tuner. They change by the position of the plate tuner for 2.45 GHz, 11–13 GHz, and multi-frequencies. The peak positions of them are close to the position where the microwave mode forms standing wave between the plate tuner and the extractor. The absorbed powers are estimated for each mode. We show a new guiding principle, which the number of efficient microwave mode should be selected to fit to that of multipole of the comb-shaped magnets. We obtained the excitation of the selective modes using new mobile plate tuner to enhance ECR efficiency.

43 PARTICLE ACCELERATORS↗