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At least 757 records · Page 42

A cell-based Papain-like Protease (PLpro) activity assay for rapid detection of active SARS-CoV-2 infections and antivirals

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and its variants are a continuous threat to human life. An urgent need remains for simple and fast tests that reliably detect active infections with SARS-CoV-2 and its variants in the early stage of infection. Here we introduce a simple and rapid activity-based diagnostic (ABDx) test that identifies SARS-CoV-2 infections by measuring the activity of a viral enzyme, Papain-Like protease (PLpro). The test system consists of a peptide that fluoresces when cleaved by SARS PLpro that is active in crude, unprocessed lysates from human tongue scrapes and saliva. Test results are obtained in 30 minutes or less using widely available fluorescence plate readers, or a battery-operated portable instrument for on-site testing. Proof-of-concept was obtained in a study on clinical specimens collected from patients with COVID-19 like symptoms who tested positive (n = 10) or negative (n = 10) with LIAT RT-PCR using nasal mid turbinate swabs. When saliva from these patients was tested with in-house endpoint RT-PCR, 17 were positive and only 5 specimens were negative, of which 2 became positive when tested 5 days later. PLpro activity correlated in 17 of these cases (3 out of 3 negatives and 14 out of 16 positives, with one invalid specimen). Despite the small number of samples, the agreement was significant (p value = 0.01). Two false negatives were detected, one from a sample with a late Ct value of 35 in diagnostic RT-PCR, indicating that an active infection was no longer present. The PLpro assay is easily scalable and expected to detect all viable SARS-CoV-2 variants, making it attractive as a screening and surveillance tool. Additionally, we show feasibility of the platform as a new homogeneous phenotypic assay for rapid screening of SARS-CoV-2 antiviral drugs and neutralizing antibodies.

60 APPLIED LIFE SCIENCES↗

Stochastic parametric skeletal dosimetry model for humans: Pediatric and adult computational skeleton phantoms for internal bone marrow dosimetry

Currently, computational phantoms that simulate skeletal tissues are used in active red bone marrow (AM) internal dosimetry. Up-to-date reference computational phantoms recommended by the ICRP are based on the analysis of CT-images of cadavers. Such phantoms have significant disadvantages. One disadvantage is that the assessment of uncertainty due to the population variability of skeleton dimensions and microstructure results from the limited availability of autopsy material. Another disadvantage is the simplified modelling of cortical layer and bone microarchitecture. A method of stochastic parametric skeletal dosimetry modelling of the bone structures – SPSD modelling – has been developed as an alternative to the ICRP reference phantoms. In the framework of this approach, skeletal phantom parameters are evaluated based on extensively reviewed results of published measurements of real bones. The SPSD approach allows for the assessment of both population-average values and their variability. SPSD-phantoms of the skeleton are modelled in voxel representation. They consist of smaller phantoms of the bone sites – segments – described by simple geometric shapes with uniform microarchitecture parameters. Such segmentation makes it possible to account for non-homogeneous skeletal microarchitecture and to model the bone structure with the required voxel resolution to elaborate suitable skeletal phantoms. The current study presents the parameters of the SPSD skeletal phantoms for the following age-groups: newborn, 1-year-old, 5-year-old, 10-year-old, 15-year-old (male and female), and adult (male and female). This skeletal phantom can be used for dosimetry as an alternative to available reference phantoms for bone-seeking radionuclides. The above-mentioned age- and sex-specific skeletal phantoms are comprised of 289 unique segments. The characteristics of the SPSD phantoms do not contradict published data and are in good agreement with the measurement results of real bones.

Science & Technology - Other Topics↗

Tailoring optical response of MXene thin films

Due to their attractive optical properties, 2D MXenes have garnered interest in nanophotonic and optoelectronic applications. However, tuning their properties typically requires the iterative synthesis of MXenes with a specific set of properties, such as the absorption band position, electronic conductivity, and dielectric constant. We demonstrate how to tailor the optical properties of MXene thin films over a broad 1500-nm wavelength range by mixing different ratios of highly conductive Ti 3 C 2 T x with poorly conductive Nb 2 CT x . By changing the MXene film composition, the epsilon-near-zero (ENZ) point, where the optical properties transit from dielectric to metallic, was varied in the spectral range from 1.1 to 2.6 µm. Additionally, we observed a reduction in absorption in some compositions compared to the absorption of the pure MXene films. Compared to other methods, this approach enables simple and continual tuning of MXene optical properties without requiring multiple time-consuming synthesis steps.

2D materials↗

Fracture Description of the HFTS-2 Slant Core, Delaware Basin, West Texas

Previous work in the Midland Basin Hydraulic Fracture Test Site project (HFTS1) has shown the value of core recovered from a stimulated volume in providing information on the geometry and extent of hydraulic fractures. This project (HFTS2) is in the Wolfcamp Formation of the Delaware Basin. A slant core through the stimulated volume was acquired above and below a stimulated well and the results of the fracture description are presented here. Here, nine, 3-inch-diameter whole cores from the slant well were examined for fractures prior to slabbing, together with a CT scan of the core. We used criteria developed during the HFTS1 project to identify hydraulic, natural, drilling-induced and core-handling fractures. Material collected from a few fracture faces was cleaned, sieved, and examined under a microscope to look for proppant. A total of 1261 fractures, including 500 hydraulic fractures, were described in 948 feet of core. Hydraulic fractures are not evenly distributed through the cores; they tend to occur in clusters. Many are remarkably planar, smooth, and featureless, while others have twist hackles, steps, plumose, and kinks. Natural, subvertical fractures, mostly less than 1 mm in width, sealed with blocky calcite, are oriented NE-SW (Set 1) and WNW-ESE (Set 2). Two Set 1 fractures have drusy cement on parted faces and were possibly open prior to drilling. A few subvertical sealed fractures with different orientations are also present. Bed-parallel natural fractures, most having fibrous cement (beef), and some showing top-to-north bed-parallel shear are present. Faults with normal/oblique movement were found in one part of the core. Drilling induced and core-handling breaks were identified in all cores, and were also noted to have reactivated some natural fractures. The results from this work will allow hydraulic fracture distribution relative to the stimulated well to be assessed. The number of fractures is generally greater than the number of perforations, but these can be compared for different stages and perforation clusters. Surface features provide information about the direction of hydraulic fracture propagation and about segmentation and bifurcation that might increase the number of fracture strands. Reactivation of natural fractures, including bedding-parallel fractures, occurs although the mechanism of parting is mostly unknown. The wider HFTS2 project will make use of this fracture description to improve hydraulic fracture modeling (geomechanics and engineering), to help explain pressure depletion and fiber optics observations (reservoir depletion and frac geometry), to help verify indirect fracture diagnostic techniques such as microseismic monitoring (geophysics), and to help calibrate horizontal well image logs.

58 GEOSCIENCES↗

A review of materials used in tomographic volumetric additive manufacturing

Abstract Volumetric additive manufacturing is a novel fabrication method allowing rapid, freeform, layer-less 3D printing. Analogous to computer tomography (CT), the method projects dynamic light patterns into a rotating vat of photosensitive resin. These light patterns build up a three-dimensional energy dose within the photosensitive resin, solidifying the volume of the desired object within seconds. Departing from established sequential fabrication methods like stereolithography or digital light printing, volumetric additive manufacturing offers new opportunities for the materials that can be used for printing. These include viscous acrylates and elastomers, epoxies (and orthogonal epoxy-acrylate formulations with spatially controlled stiffness) formulations, tunable stiffness thiol-enes and shape memory foams, polymer derived ceramics, silica-nanocomposite based glass, and gelatin-based hydrogels for cell-laden biofabrication. Here we review these materials, highlight the challenges to adapt them to volumetric additive manufacturing, and discuss the perspectives they present. Graphical abstract

36 MATERIALS SCIENCE↗

Computed Tomography Scans of Naturally Mineralized Fractures in Upper Wolfcamp Shale

Computed tomography scans of fractures in small samples of Wolfcamp Shale from the Permian Basin and a depth of approximately 10,400 feet that have been cemented through natural processes. These samples were CT scanned at NETL. The data sets compliment the manuscript by Hajirezaie et al entitled "Mineral characterization of a sealed fracture: A multiscale multimodal imaging study of a syntaxial vein"

Computed Tomography↗

Core Characterization of the Whipkey ST1 Well - Marcellus Shale

CT and geophysical data of the Marcellus from the Whipkey ST 1 well in Greene Co PA API No: 37-059-24715 latitude 39.9000020N, longitude -80.0199970W Please see the following technical report for further details. Crandall, D.; Moore, J.; Brown, S.; Mackey, P.; Carr, T. Computed Tomography Scanning and Geophysical Measurements of the Marcellus Formation from the Whipkey ST 1 Well NETL-TRS-X-2018; NETL Technical Report Series; U.S. Department of Energy, National Energy Technology Laboratory: Morgantown, WV, 2018; p 54.

Computed Tomography↗

Patterson #5-25 Well

CT scans, images, and MSCL data to accompany the Patterson #5-25 well TRS

Arbuckle Group; CCUS; Carbon storage; IMSCS↗

Dataset documenting rock core evaluation from Brady’s Hot Springs well BCH-03

Nineteen short sections of core were taken from the BCH-03 borehole at Brady’s Hot Springs, Churchill County, Nevada, between 2,945 ft and the total depth of 4,885 ft. This well is in a geothermal field. Data collected includes thin section photomicrographs, Medical CT tiff stacks, microCT tiff stacks, XRD, porosity (from thin sections, He porosimeter, microCT segmentation) and P/S wave velocities.

Brady geothermal field↗

Herren Well - Ohio

CT Data that compliments the Technical Report Series document: Pohl, M.; Paronish, T.; Mitchell, N.; Jarvis, K.; Sharma, M.; Moore, J.; Crandall, D.; Danielsen, E. M.; McDonald, J. Computed Tomography Scanning and Petrophysical Measurements of Oriskany Core Across Eastern Ohio, U.S. Department of Energy, National Energy Technology Laboratory: Morgantown, WV, 2024

Carbon Storage↗

Evolution of Pore Structure and Permeability of Rocks Under Hydrothermal Conditions (Final Report)

The physical and transport properties of porous rocks can be altered by a variety of diagenetic, metamorphic, and tectonic processes, and the changes that result are of critical importance to such industrial applications as resource recovery, carbon dioxide sequestration, and waste isolation in geologic formations. The associated interrelationships between rocks, pore fluids and deformation are also key to understanding many natural processes, including dynamic metamorphism, fault mechanics, fault stability and pressure solution creep. In this project, we investigated the changes of permeability and pore geometry owing to inelastic deformation by solution-transfer, brittle fracturing and dislocation creep. In particular, we studied the coupling between pore fluids and deformation in fluid-filled quartz, calcite, mudstones and ultramafic rocks and examine the effects of coupled mechanical and chemical processes on the evolution of porosity and permeability under hydrothermal conditions. The investigations used a combination of techniques, that included triaxial laboratory experiments; uniaxial compressive loading with in situ observations of microstructure; permeability under hydrostatic compression; observations of microstructure using optical and electron microscopes, and micro-CT imaging; and numerical calculations. Laboratory experiments were designed to provide mechanical and transport data under conditions that isolate the particular mechanisms responsible for the changes. The data obtained were used to quantify changes in surface roughness, porosity, pore dimensions and their spatial fluctuations. The results of the experiments and data from image analyses were compared to the results of network, finite-difference and other numerical models to verify the validity of experimentally established relations between permeability and other rock properties. A bibliography for the period from 2015-2019 is appended below. New results obtained in the final year and the unfunded extension period are detailed below.

58 GEOSCIENCES↗

Open Source Visualization and Analysis Platform for 3D Reconstructions of Materials by Transmission Electron Microscopy

Three-dimensional characterization of materials at the nano- and meso-scale has become possible with transmission and scanning transmission electron microscopes (S/TEM). Its importance has extended to a wide class of nanomaterials such as hydrogen fuel cells, solar cells, industrial catalysts, new battery materials and semiconductor devices, as well as spanning high-tech industry, universities, and national labs. While capable instrumentation is abundant, this rapidly expanding demand for high-resolution tomography is bottlenecked by software that is instead tailored for lower-dose, biological applications and not optimized for higher-resolution materials applications. Existing tomography fails to utilize the chemical information provided by S/TEM spectrometers. To address this problem, this project delivered a scalable, fully functional, freely-distributable, open Source materials tomography package with a modern user interface that enables automated acquisition, alignment, and real-time reconstruction of raw tomography data, and provides advanced segmentation, three-dimensional chemical visualization and analysis optimized for materials applications. It has established an extendable framework capable of automation for high-throughput for the tomography of materials from data acquisition to visualization. Phase I and II delivered a full-featured, cross-platform, clean and integrated application for S/TEM materials tomography. It can read projection data from the microscope, with graphical tools for alignment of data, tomographic reconstruction, segmentation, and visualization of the reconstructed 3D volume. The entire pipeline can be saved to an XML state file, enabling fully reproducible data processing and analysis with a full Python environment for the development of custom algorithms, processing, and analysis requirements. Phase IIB extended the application to provide real-time tomographic reconstruction, "live updates" as data is processed, analysis of big data, and multi-channel tomography. Here, quantitative assessment of nanomaterials can occur as data is being recorded on a 3D visualization platform that accommodates additional information from multiple channels. We provide unmatched high-throughput tomography, where the complete tomographic pipeline from measurement to 3D visualization can occur rapidly. The project was extended to offer capabilities for micro-CT, X-ray, neutron, focused ion beam, atomic electron tomography and atom probe tomography. With over 600 transmission electron microscopes worldwide and approximately 50 coming online each year, the demand and impact of an open-source tomography tool is large. Significant opportunities exist in high-tech industry, universities, and national labs to enable or enhance three-dimensional imaging at the nanoscale and bring automated high-throughput approaches that will accelerate progress in materials characterization and metrology. The project supports a service based business model by enabling lab-specific acquisition and processing customization and integration-support and development that will be provided into Phase III and beyond.

36 MATERIALS SCIENCE↗

Automated Threat Recognition For Aviation Security Applications

We have developed a framework for automated threat recognition (ATR) of explosive threat materials for both single-energy and dual-energy X-ray CT systems. Under this framework, two different types of ATR have been developed. The first type of ATR employs supervised machine learning with statistical characterization of target materials for threat identification training. The reliance only on statistical characterization information for threat training uniquely enables this style of ATR to adapt quickly to evolving threats. The second type of ATR employs deep learning through convolutional neural networks. Convolutional neural networks are attractive due to their human-like capacity for learning and strong ability to identify trends and patterns. Although this method is more powerful than the first type, it requires large amounts of training data and therefore is less agile. Each ATR performs threat characterization at the voxel neighborhood level. This approach avoids the use of threat shape as a detection criterion, which is prohibited by DHS and TSA guidelines.

97 MATHEMATICS AND COMPUTING↗

Abstract for Joint Work Statement 5 (AGMT-1005) between National Energy Technology Laboratory (NETL) and ExxonMobil Research and Engineering Company (EMRE) to Umbrella CRADA (AGMT-0922)

NETL and EMRE will focus on fundamental questions aimed at understanding the controlling factors on tight oil production flow paths and how those flow paths are impacted by the hydraulic fracturing fluids and processes. Key questions for the Parties to explore include the following: Are there geochemical reactions between hydrocarbon producing tight reservoir rocks and water from the hydraulic fracturing process? To what extent does this alteration impact oil production? By further characterizing the flow paths near the fracture-matrix interface, what is the relative impact of geochemical process compared to geomechanical changes on production? This research focuses on rock types found in the Permian Basin. The research drives along two main thrusts: 1) Inorganic geochemistry studies involving representative rock types, connate fluids (hydrocarbons and water), and injected fluids (fracturing water) will be conducted in order to bound the kinetics of key mineral reactions; 2) Computed tomography (CT) for characterization of flow paths as a function of geochemical and geomechanical processes associated with hydraulic fracture creation and reservoir production. The objective of this characterization is to ultimately develop new insights into the role geochemical and geomechanical effects play on production. The work will include studying mechanical damage near the rock-fracture interface and how it impacts flow properties.

02 PETROLEUM↗

Non-Destructive Imaging of a Liquid Moving Through Porous Media Using a Computer Tomography Scanner

The most common approach used by modelers to describe movement of liquids through a porous solid, such as cement, sediment, or glass, is to assume a uniform flow rate, such as a Darcy Flux or a diffusion constant. However, this convenient simplification is problematic because in many cases it ignors the presence of fractures and macropores, which commonly dominate water flow and contaminant transport. For this reason, it is common that such modeling results do not reflect the multi-modal flow detected in laboratory and field studies. The objective of this seedling study was to develop a new capability for SRNL to track liquid moving through micro- (matrix-) and macro-flow using an X-ray Computed Topography (CT) Scanner. 4-dimensional anamated renditions were created that permited quantifying traditional matrix flow and macropore flow. These animations were modelled using a public domain software, HYDRUS 1-D, describing one dimension, dual-porosity and dual-permeability processes. This new capability provides a proof of concept for reducing model uncertainty applicable to waste disposal risk calculations, environmental remediation, and waste form development when describing the movement of liquids as they pass through glass, cement, fractured rock, or soil.

47 OTHER INSTRUMENTATION↗

Report on Progress of correlation of in-situ and ex-situ data and the use of artificial intelligence to predict defects

The Transformational Challenge Reactor (TCR) program is leveraging additive manufacturing (AM) technologies to fabricate nuclear components which will be assembled into a fully functional microreactor core. Compared with traditional manufacturing technologies, AM technologies allow (1) real-time observation of the manufacturing process at a much higher resolution using in-situ monitoring technologies to capture the sensor signatures that scientifically describe each event occurring over time and space and (2) validation of the manufacturing process quality using domain-informed data analytics techniques as a potential qualification and certification methodology for the final component. This report provides an update on the program work on in-situ and ex-situ data correlation and associated data analytics results. Examples are provided to illustrate progress with respect to laser powder bed fusion (L-PBF), binder jetting, computed tomography (CT) reconstruction, and mechanical testing. Elements of the Digital Thread and data management infrastructure are discussed in the main document, and an extensive supplemental appendix is provided detailing the Digital Platform, as well as its implementation and subcomponents. In conclusion, the path forward for the next fiscal year is also discussed.

42 ENGINEERING↗

Research and Development of a Ventilation-Integrated Comfort System

From an indoor air quality perspective, the best residential ventilation strategies include filtering outdoor air and distributing that air to all occupied parts of a home. From an energy standpoint, it's desirable that energy be transferred from the exhaust air to the incoming outdoor air to limit heating and cooling impacts. Heat or energy recovery ventilation systems (HRVs or ERVs) can provide these functions, but researchers have seen many poor installations related to design, installation, and operation and maintenance. More robust ventilation systems may involve an ERV with a dedicated duct distribution system and controls. Such a duct system can be costly to install, and many builders reduce these costs by connecting an ERV to a central heating and cooling duct system. While this can sometimes be done effectively, researchers have seen consistent challenges with low, inconsistent, or imbalanced flow rates; high electricity consumption; and - of greatest concern - outdoor air short-circuiting or not being delivered to occupied spaces at all. Most ERVs are designed to operate with their own duct system; they are not designed as an add-on to much larger HVAC systems. With support from the US DOE Building Technologies Office, Steven Winter Associates, Inc. (SWA) partnered with Mitsubishi Electric Trane US, CORE Energy Recovery Solutions, and Therma-Stor LLC to design and test VICS prototypes. A conceptual diagram is shown in Figure 1, and the latest prototype (shown in Figure 2) was manufactured by Therma-Stor and tested in SWA's facility in Norwalk, CT. The ERV heat exchanger was provided by CORE, and the VICS was installed in conjunction with a 1-ton, inverter heat pump provided by Mitsubishi.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

High Fidelity Tomographic Density Reconstructions [Slides]

Pressed high explosives have small density variations associated with the pressing process, from a few to sub percent depending on the material. Variations at these levels are known to have an impact on HE performance. Currently, a destructive testing method based on physical sectioning followed by immersion density measurements (slice and dice) is utilized. However, this method has poor spatial resolution limited by the the sectioning size, 1-2 cm. If possible, radiographic methods including Computed Tomography (CT) would be preferred, as they are non-destructive and have higher (less than .1 mm) spatial resolution. However, beam hardening, scattered radiation, and detector effects make density reconstructions at this level extremely challenging.

42 ENGINEERING↗