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664 records · Page 37

System and method of mapping topology

A system for determining a fingerprint of a structure is provided. The system includes a plurality of granules inserted in a structure having a plurality of fissures, fractures, and cracks (collectively apertures), each granule comprising a membrane, and at least one bubble of compressed gas formed in the membrane, the membrane selectively dissolving in presence of a predetermined fluid and thereby selectively bursting the at least one bubble, thereby generating a concussing vibration, at least at least i) three detection devices for two-dimensional mapping or ii) four detection devices for three-dimensional mapping placed proximate to the structure according to a predetermined placement schedule, and a computing device comprising a processor configured to receive data from the at least three or four detection devices and to determine location of the at least one bubble of each of the plurality of the granules at the time of bursting by triangulating the concussive vibration in order to determine location of the at least one bubble.

Pyrak-Nolte, Laura↗

Probing Majorana wavefunctions in Kitaev honeycomb spin liquids with second-order two-dimensional spectroscopy

Two-dimensional coherent terahertz spectroscopy (2DCS) emerges as a valuable tool to probe the nature, couplings, and lifetimes of excitations in quantum materials. It thus promises to identify unique signatures of spin liquid states in quantum magnets by directly probing properties of their exotic fractionalized excitations. Here, we calculate the second-order 2DCS of the Kitaev honeycomb model and demonstrate that distinct spin liquid fingerprints appear already in this lowest-order nonlinear response $\chi^{(2)}_{yzx}(\omega_1, \omega_2)$ when using crossed light polarizations. We further relate the off-diagonal 2DCS peaks to the localized nature of the matter Majorana excitations trapped by $\mathbb{Z}_2$ flux excitations and show that 2DCS thus directly probes the inverse participation ratio of Majorana wavefunctions. By providing experimentally observable features of spin liquid states in the 2D spectrum, our work can guide future 2DCS experiments on Kitaev magnets.

Qiang, Yihua↗

Curable polysiloxane compositions and slippery materials and coatings and articles made therefrom

The present teachings generally provide curable polysiloxane compositions including a base resin including a surface active polymer. Articles of manufacture including the curable polysiloxane compositions and slippery coatings and materials also are provided. The compositions may be used to provide slippery, lubricious, or repellent materials and coatings and may provide anti-fouling function. The compositions can provide anti-fouling or foul-release function on open surfaces, internal surfaces, membranes; to provide pinning free or low contact angle hysteresis surfaces; to provide homogeneous interface to suppress nucleation; to provide a barrier layer such as anti-corrosion; to provide anti-stain, anti-smudge, anti-fingerprint, anti-soil function.

Kim, Philseok↗

Language-Theoretic Data Analysis to Support ICS Protocol Baselining

Critical infrastructure stakeholders need to baseline their systems to understand expected protocol communications. Baseline behaviors may vary based on operational context. Expected operations during a maintenance window, for example, may be different from normal operations. Furthermore, constructing system baselines for Industrial Control Systems (ICS) is difficult and time-consuming. ICS processes generate artifacts expressed across heterogeneous data sources such as network traffic and device logs. This paper explores the hypothesis that such ICS artifacts form a language in the language-theoretic sense. From a theoretical perspective, the variety of implementations of ICS protocols and constrained environment of OT networks provide a rich application domain for language-theoretic approaches. We present several use cases related to the practical construction of system baselines: grammars for data fusion, language dialects for device fingerprinting, and security automata for system baselining

24 POWER TRANSMISSION AND DISTRIBUTION↗

Corrosion testing needs and considerations for additively manufactured materials in nuclear reactors

Metal additive manufacturing holds significant promise as an enabling technology for the 21st century nuclear energy industry. Metal additive manufacturing (MAM) can allow the fabrication of novel materials and innovative component designs that are not achievable through conventional manufacturing. Due to its very different fabrication methods, as-fabricated MAM components are characteristically different from conventionally manufactured components. MAM materials exhibit very different microstructures from conventional cast or wrought materials. For example, austenitic stainless steels fabricated by laser powder bed fusion exhibit columnar grain structures, dislocation cell structures, and melt pool fingerprints. In addition, MAM fabrication may result in defects such as porosity, incomplete processing of the feedstock (e.g., lack of fusion in melt-based methods), and oxide inclusions. Heat treatments may further evolve the microstructure, microsegregation, and stresses within the component. Furthermore, MAM components have a rough surface with feature sizes on the order of the feedstock material, as opposed to smooth surfaces resulting from conventional machining and forming operations. As a result, the corrosion behavior of MAM components will likely be significantly different from that of conventionally formed components. Corrosive environments for structural materials within advanced reactor environments include molten fluoride and chloride salts, liquid sodium and lead-bismuth, and high-temperature helium. The Advanced Materials and Manufacturing Technologies program within the Department of Nuclear Energy in the United States Department of Energy is assessing the unique concerns of MAM component corrosion and testing methodologies in advanced nuclear reactor environments. We discuss these concerns and testing strategies in this paper.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Pixel-Registered Multimodal Synchrotron XRF and FTIR Microscopies Reveal Salinity Stress Response Mechanisms in Pistachio

Background: Salinity is a major abiotic stress that negatively affects nearly all plant species at all stages of growth. Drought and poor-quality irrigation cause high soil salinity and salt accumulation via evaporation, reducing crop productivity. Despite its critical importance, the spatial localization of salt ions and associated biochemical changes within plants experiencing high salinity remains largely unknown. In this study, we developed a multimodal imaging pipeline to understand the impact of salinity on the pistachio rootstock UCB-1 (Pistacia atlantica x Pistacia integerrima). We directly link biochemical fingerprints in stem tissue architecture with salt ion localization to provide insights into the strategies pistachio uses to tolerate salinity. Results: We observed that Pistacia spp. exposed to high salt conditions accumulated Ca, Si, Cl, Al and Mg as hotspots within the pith, compared to the control (of which only Ca and Al co-locate). In contrast, there was a decrease in K between the control and salinity treatment. Hotspots of amide I and II were present in the cortex and pith of the salinity treated sample. Additionally, the salinity treatment resulted in an increased abundance of pectin and carbohydrates within the pith compared to the control, and the abundance of esters/carboxylic acid was greater in the salinity treatment. Conclusions: We determined that Cl and K, S and P, and biochemical components polysaccharide and pectin, esters and carboxylic acid, amide I and cellulose are the strongest drivers of salinity- treatment induced variability. In the cortex and phloem/xylem, a negative K-Ca correlation decreases in the salinity treatment. Several hotspots of elements and amide I (proteins) appear under salinity treatment, particularly in the cortex, suggesting an increase in the production of stress-related proteins (in response to high Cl) and/or structural proteins (i.e. Ca). Together, these results indicate that pistachio responds to salinity through ion compartmentalization coupled with a targeted biochemical adjustment, rather than a broadscale tissue-wide response. Overall, these novel, spatially resolved pixel-registered multimodal imaging data provide an enabling platform to understand the mechanisms of salinity tolerance in Pistacia spp and can be broadly applied to studying stress-related phenotype response in various plant tissues.

FTIR spectromicroscopy↗

Identification of Unique Fragmentation Patterns of Fentanyl Analog Protomers Using Structures for Lossless Ion Manipulations Ion Mobility-Orbitrap Mass Spectrometry

The opioid crisis in the United States is being fueled by the rapid emergence of new fentanyl analogs and precursors that can elude traditional library-based screening methods, which require data from known reference compounds. Since reference compounds are unavailable for new fentanyl analogs, we examined if fentanyls (fentanyl + fentanyl analogs) could be identified in a reference-free manner using a combination of electrospray ionization (ESI), high-resolution ion mobility (IM) spectrometry, high-resolution mass spectrometry (MS), and higher-energy collision-induced dissociation (MS/MS). We analyzed a mixture containing nine fentanyls and W-15 (a structurally similar molecule) and found that the protonated forms of all fentanyls uniquely exhibited two baseline separated IM distributions that produced different MS/MS patterns. Upon fragmentation, both IM distributions of all fentanyls produced two high intensity fragments resulting from amine site cleavages. The higher mobility distributions of all fentanyls also produced several low intensity fragments, but surprisingly, these same fragments exhibited much greater intensities in the lower mobility distributions. This observation demonstrates that many fragments of fentanyls predominantly originate from one of two different gas-phase structures (suggestive of protomers). Furthermore, increasing the water concentration in the ESI solution increased the intensity of the lower mobility distribution relative to the higher mobility distribution, which further supports that fentanyls exist as two gas-phase protomers. In conclusion, our new observations on the IM and MS/MS properties of fentanyls can be exploited to positively identify them as fentanyls without requiring reference libraries and will hopefully assist first responders and law enforcement in combating new and emerging fentanyls.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

On the Emergence of Human Influence on Surface Air Temperature Changes Over India

Human activities in terms of greenhouse gas (GHG) emissions and aerosols resulting from the combustion of fossil fuels have been shown to have affected the temperature of the Earth on global and continental scales. The surface air temperature (TAS) over India has also been observed to be increasing over the last 100 years. Understanding the underlying causes of regional climate change over India can help in developing appropriate mitigation and adaptation strategies. Differentiating signals of externally forced climate changes from the noise of natural internal variability generally becomes more difficult as spatial scale reduces. Therefore detecting and attributing the influence of external forcings such as GHGs and aerosols is harder at local and regional scales. In this study, we applied a detection and attribution (D&A) method to study annual and seasonal mean TAS over the Indian region. We found that the observed warming over India from 1906 to 2005 cannot be explained by natural climate variability alone. We found that the warming is largely driven by the increase in GHGs, and partially offset by regional anthropogenic emissions of aerosols. These results were confirmed for the shorter 1956–2005 period, but results were sensitive to the choice of observational data set. Furthermore, the changes cannot be explained by internal climate variability or natural external forcings alone, but are compatible with the responses to combined anthropogenic GHG and aerosol forcings.

54 ENVIRONMENTAL SCIENCES↗

Matrix Metalloproteinases as Candidate Antigenic Determinants for Anti‐Tumor Autoantibodies in Human Ovarian Cancer: A Post Hoc Analysis

Circulating antibodies in patients with cancer can facilitate the identification of accessible epitopes on autoantigens expressed by tumors. To identify previously unrecognized protein targets in ovarian cancer, we computationally assessed a heptapeptide consensus motif (VPELGHE, flanked by two cysteine residues yielding a cyclic nonapeptide under oxidizing conditions) previously discovered via phage display-based epitope mapping of autoantibodies in patients. Eight proteins associated with ovarian cancer encompass amino acid sequences similar to the consensus motif and were, therefore, considered as candidate native autoantigens. Among these candidate targets, however, matrix metalloproteinase 14 (MMP14) demonstrates gene expression that is both high and negatively correlated with survival in ovarian cancer patient cohorts. MMP14 protein levels are also stable in tumor versus non-tumor tissues. Moreover, the corresponding heptapeptide mimic in MMP14 occurs within an α-helical secondary structural element observed in its catalytic domain. These findings demonstrate that a subset of patient-derived autoantibodies may interact with a previously unknown antigenic epitope found in MMP14 and other MMPs, thereby providing opportunities for the development of new targeted agents.

Biochemistry & Molecular Biology↗

Person-to-person transfer of Candida albicans in the spacecraft environment

We assessed the exchange of Candida albicans among crew members during 10 Space Shuttle missions. Throat, nasal, urine and faecal specimens were collected from 61 crew members twice before and once after space flights ranging from 7 to 10 days in duration; crews consisted of groups of five, six or seven men and women. Candida albicans was isolated at least once from 20 of the 61 subjects (33%). Candida strains were identified by restriction-fragment length polymorphism (RFLP) after digestion by the endonucleases EcoRI and HinfI; further discrimination was gained by Southern blot hybridization with the C. albicans repeat fragment 27A. Eighteen of the 20 Candida-positive crew members carried different strains of C. albicans in the specimens collected. Possible transfer of C. albicans between members of the same crew was demonstrated only once in the 10 missions studied. We conclude that the transfer of C. albicans among crew members during Space Shuttle flights is less frequent than had been predicted from earlier reports.

Flight Experiment↗

Developing Fast and Accurate Radiative Transfer Models to Meet the Needs of Modern Satellite Remote Sensing Applications

Modern hyperspectral satellite remote sensors provide highly accurate measurements the Earth’s Top-of-Atmosphere (TOA) radiance, reflectance, or polarized spectra with hundreds to thousands of spectral channels and with millions of observations per day. The large data volume and high spectral dimensionality of the data pose challenges for retrieval algorithms. To process the satellite Level-1 data (e.g. calibrated TOA spectra) into Level-2 products (e.g. atmospheric and surface properties) using physical-based retrieval algorithms, accurate and fast Radiative Transfer Models (RTMs) are needed. RTMs are usually the limiting factor in determining the speed of a level-2 algorithm. For example, more than one million Line-by-Line (LBL) radiative transfer (RT) calculations are needed in order to properly capture the spectral contributions of important atmospheric molecules for an IR hyperspectral sensor with a spectral coverage from 3.5 m to 15 m or a solar hyperspectral sensor with spectral coverage from 0.25 m to 2.5 m. In this presentation, we will discuss advantages and disadvantages of different ways (e.g. correlated k and effective transmittance) to accelerate the speed of a fast RTM. We finally describe a Principal Component-based Radiative Transfer Model (PCRTM), which can calculate TOA radiance or reflectance spectra from 50 cm-1 to 40,000 cm-1 (200 m to 0.25 m). It has demonstrated very good accuracy relative to reference LBL RTMs and saves orders of magnitude in computational time. The PCRTM has been used in many satellite remote sensing applications. Examples include forward modeling in Level-2 and Level-3 retrieval algorithms, high fidelity satellite instrument simulators and instrument performance trade studies, spectral and radiometric accuracy characterizations of satellite Level-1 data, tools for inter-satellite calibrations, tools for satellite RTM lookup table generations, and tools for generating physically based training datasets for Artificial Intelligence (AI) algorithms.

climate data record↗

Applications in Forensic Proteomics: Protein Identification and Profiling. ACS Symposium Series

Proteomics is a mature research tool in the life sciences, and it can be a powerful addition to the forensic science toolbox. This work presents several areas in which proteomics was used to answer forensic questions. Illustrating current applications of proteomics methods, this work introduces opportunities for proteomics to answer compelling questions in forensic science and biosecurity. These "case studies" will be valuable to both practicing forensic scientists and researchers developing proteomics methods.

proteomics, forensics, mass spectrometry, toxins, ↗

Final Technical Report

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97 MATHEMATICS AND COMPUTING↗