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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

System for Packaging Planetary Samples for Return to Earth

A system is proposed for packaging material samples on a remote planet (especially Mars) in sealed sample tubes in preparation for later return to Earth. The sample tubes (Figure 1) would comprise (1) tubes initially having open tops and closed bottoms; (2) small, bellows-like collapsible bodies inside the tubes at their bottoms; and (3) plugs to be eventually used to close the tops of the tubes. The top inner surface of each tube would be coated with solder. The side of each plug, which would fit snugly into a tube, would feature a solder-filled ring groove. The system would include equipment for storing, manipulating, filling, and sealing the tubes. The containerization system (see Figure 2) will be organized in stations and will include: the storage station, the loading station, and the heating station. These stations can be structured in circular or linear pattern to minimize the manipulator complexity, allowing for compact design and mass efficiency. The manipulation of the sample tube between stations is done by a simple manipulator arm. The storage station contains the unloaded sample tubes and the plugs before sealing as well as the sealed sample tubes with samples after loading and sealing. The chambers at the storage station also allow for plug insertion into the sample tube. At the loading station the sample is poured or inserted into the sample tube and then the tube is topped off. At the heating station the plug is heated so the solder ring melts and seals the plug to the sample tube. The process is performed as follows: Each tube is filled or slightly overfilled with sample material and the excess sample material is wiped off the top. Then, the plug is inserted into the top section of the tube packing the sample material against the collapsible bellowslike body allowing the accommodation of the sample volume. The plug and the top of the tube are heated momentarily to melt the solder in order to seal the tube.

Badescu, Mircea↗
NASA NTRS2019

Vestibulo-Spinal Pathways in Tetrapods: Chapter - 6.26

The vestibulospinal system provides the spinal motor circuits controlling head/neck and limb movements and body posture with rapid reflex adjustments to maintain equilibrium and stability and with a continuous essential excitatory drive, called tonus, to enhance reactive responses to perturbations that force the animal off normal posture. The sensory signals to these reflex circuits originate from hair cells in the inner ear of otolith structures, namely the utricle and saccule, that transduce inertial acceleration and orientation of the head with respect to gravity and in the three orthogonally arranged semicircular canals that transduce angular head rotation. The principal vestibulospinal pathways are 1) the medial vestibulospinal tract that descends in the ventromedial funiculus and innervates inter- and motoneurons located mainly in lamina VII, VIII, and dorsomedial IX throughout the cervical segments; and 2) the lateral vestibulospinal tracts that course in the lateral to ventrolateral funiculi and are distinguished by two divisions: i) a cervical-projecting tract that overlaps many of the targets of medial vestibulospinal tract neurons including the motoneurons in ventromedial IX and also contributes to reflex control of shoulder and forelimb (arm) muscles; and ii) a lumbosacral-projecting tract that provides a rapid input to maintain stable posture and reflex control of the lower body. A striking observation in understanding the functional organization of this sensory-motor system is both that the driving sensory input can be dynamically modified by the behavioral context in which the sensation is made and that it remains able to quickly respond to an external force during self-generated head movements. The structural basis for vestibulospinal inputs to spinal motor control circuits in quadrupeds and bipeds rely in part on the animal's need for coordination between fore- and hind-limb reflex movements. Understanding the sensory-to-motor transformations in the diverse species rely on the correlations of the conserved and unique species behavior, morphology and physiologic function.

Spinal Cord↗
DOE OSTI2023

Structural basis for the tRNA-dependent activation of the terminal complex of selenocysteine synthesis in humans

Abstract O-Phosphoseryl-tRNASec selenium transferase (SepSecS) catalyzes the terminal step of selenocysteine (Sec) synthesis in archaea and eukaryotes. How the Sec synthetic machinery recognizes and discriminates tRNASec from the tRNA pool is essential to the integrity of the selenoproteome. Previously, we suggested that SepSecS adopts a competent conformation that is pre-ordered for catalysis. Herein, using high-resolution X-ray crystallography, we visualized tRNA-dependent conformational changes in human SepSecS that may be a prerequisite for achieving catalytic competency. We show that tRNASec binding organizes the active sites of the catalytic protomer, while stabilizing the N- and C-termini of the non-catalytic protomer. Binding of large anions to the catalytic groove may further optimize the catalytic site for substrate binding and catalysis. Our biochemical and mutational analyses demonstrate that productive SepSecS•tRNASec complex formation is enthalpically driven and primarily governed by electrostatic interactions between the acceptor-, TΨC-, and variable arms of tRNASec and helices α1 and α14 of SepSecS. The detailed visualization of the tRNA-dependent activation of SepSecS provides a structural basis for a revised model of the terminal reaction of Sec formation in archaea and eukaryotes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Amphiphilic Baskets for Supramolecular Nanoarchitectures at Interfaces: Inverted Monolayer Formation on Water

Interfacial chemistry of molecular baskets remains poorly understood despite their promise for supramolecular applications of detection and sequestration of toxic molecules including those of illicit drugs, organophosphorus compounds, and anticancer agents. We present a fundamental investigation of the interfacial behavior of three amphiphilic supramolecular baskets (ASB 4, 8, and 12), having increasingly longer yet linear alkyl chains at the top of their bowl-shaped cavity. The studies were completed at the air−water interface to elucidate surface activity, interfacial stability, self-assembly, and monolayer organization that drive inverted monolayer formation, in which the molecular arms orient toward the aqueous phase in a configuration opposite to that typically observed for lipids. Herein, surface pressure−area isotherms of ASB 4, 8, 12, deposited on a water surface, were performed in tandem with nonequilibrium relaxation experiments to quantify surface activity, thermodynamic stability, and monolayer compressibility of the baskets’ monolayer assembly. Brewster angle microscopy enabled direct visualization of morphological evolution, aggregation, and packing at the interface. We show that systematic extension of the hydrocarbon arms, from four to 12 methylene groups, progressively modifies intermolecular packing, drives distinct two-dimensional aggregation pathways, and increases number densities at the air−water interface. Atomistic molecular dynamics simulations corroborate many of these experimentally observed trends and provide mechanistic detail on the cooperative roles of basket topology and interfacial concentration in regulating the hydration structure and dynamics within the cavities generated by surface-adsorbing baskets, consistent with observed variations in surface activity and packing. Our results establish how the topology of these unique supramolecules and their concentration govern interfacial organization and offer a rational framework for designing amphiphiles with predictable behavior at soft interfaces.

Hydrocarbons↗
DOE OSTI2021

Self-Assembly of Metallo-Supramolecules with Dissymmetrical Ligands and Characterization by Scanning Tunneling Microscopy

Asymmetrical and dissymmetrical structures are widespread and play a critical role in nature and life systems. In the field of metallo-supramolecular assemblies, it is still in its infancy for constructing artificial architectures using dissymmetrical building blocks. Herein, we report the self-assembly of supramolecular systems based on two dissymmetrical double-layered ligands. With the aid of ultra-high-vacuum, low-temperature scanning tunneling microscopy (UHV-LT-STM), we were able to investigate four isomeric structures corresponding to four types of binding modes of ligand LA with two major conformations complexes A. The distribution of isomers measured by STM and total binding energy of each isomer obtained by density functional theory (DFT) calculations suggested that the most abundant isomer could be the most stable one with highest total binding energy. Lastly, through shortening the linker between inner and outer layers and the length of arms, the arrangement of dissymmetrical ligand LB could be controlled within one binding mode corresponding to the single conformation for complexes B.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases

An important class of non-heme dioxygenases contains a conserved Fe binding site that consists of a 2-His-1-carboxylate facial triad. Results from structural biology show that, in the resting state, these proteins are six-coordinate with aqua ligands occupying the remaining three coordination sites. Here, we have utilized biotin–streptavidin (Sav) technology to design new artificial Fe proteins (ArMs) that have many of the same structural features found within active sites of these non-heme dioxygenases. An Sav variant was isolated that contains the S 112 E mutation, which installed a carboxylate side chain in the appropriate position to bind to a synthetic Fe II complex confined within Sav. Structural studies using X-ray diffraction (XRD) methods revealed a facial triad binding site that is composed of two N donors from the biotinylated ligand and the monodentate coordination of the carboxylate from S 112 E. Two aqua ligands complete the primary coordination sphere of the Fe II center with both involved in hydrogen bond networks within Sav. The corresponding Fe III protein was also prepared and structurally characterized to show a six-coordinate complex with two exogenous acetato ligands. The Fe III protein was further shown to bind an exogenous azido ligand through replacement of one acetato ligand. Spectroscopic studies of the ArMs in solution support the results found by XRD.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Intramolecular structure and dynamics in computationally designed peptide-based polymers displaying tunable chain stiffness

Here, polymers assembled using computationally designed coiled coil bundlemers display tunable stiffness via control of interbundlemer covalent connectivity as confirmed using small-angle neutron scattering. Neutron spin echo spectroscopy reveals that rigid rod polymers show a decay rate Γ~Q 2 (Q is the scattering vector) expected of straight cylinders. Semirigid polymers assembled using bundlemers linked via 4-armed organic linker show flexible segmental dynamics at mid-Q and Γ~Q 2 behavior at high Q. The results give insight into linker flexibility-dependent interbundlemer dynamics in the hybrid polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Mixed-phase Convective Clouds in the Polar Marine Boundary Layer

This proposal, a collaboration between two universities, firstly aims to describe the high-latitude CAO cloud regime using the array of instruments at the NSA (Barrow, Alaska) and at two mobile ARM sites (MARCUS 2017-18, and COMBLE 2020). These ARM data, and the multi-sensor variables we propose to derive, allow detailed descriptions of mesoscale organization of precipitation, thermodynamic profiles, vertical velocity, cloud depth, and cloud and precipitation properties. These observations are key for our second goal, which is to use output from validated cloud- and eddy-resolving simulations to gain insights into the linkages between microphysical processes, the MBL vertical structure, and the MBL dynamics that control cloud macrostructure.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Introduction to special issue: Colloidal quantum dots

The quantum confinement effect has driven the development and exploration of colloidal semiconductor nanocrystals over approximately the past three decades. These semiconductor nanostructures are typically synthesized as stable colloidal dispersions in solution-phase chemical batch reactions at relatively low temperatures. Researchers have developed a wide range of reaction conditions to produce a variety of shapes, compositions, and structures with well-controlled sizes and low polydispersities. The shape can be controlled to produce confinement in one, two, or all three spatial dimensions, the latter defining a “quantum dot.” Combining two or more semiconductors within the various nanostructures produces additional optical and electronic degrees of freedom. These mixed compositional nanostructures have properties not accessible in bulk semiconductor systems. Further, researchers have fabricated novel nanoheterostructures, such as “dot-in-rods,” quantum wells, core/shell structures, giant-core/shell tetrapods where the core is one material and the arm is another, Janus structures that consist of spherical structures with well-defined internal heterostructures, nano-dumbbells, hollow-core structures, and many other novel and interesting structures. The structural variations are seemingly only limited by the creativity of the various researchers engaged in these endeavors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Shaping the Water-Harvesting Behavior of Metal–Organic Frameworks Aided by Fine-Tuned GPT Models

Here, we construct a data set of metal–organic framework (MOF) linkers and employ a fine-tuned GPT assistant to propose MOF linker designs by mutating and modifying the existing linker structures. This strategy allows the GPT model to learn the intricate language of chemistry in molecular representations, thereby achieving an enhanced accuracy in generating linker structures compared with its base models. Aiming to highlight the significance of linker design strategies in advancing the discovery of water-harvesting MOFs, we conducted a systematic MOF variant expansion upon state-of-the-art MOF-303 utilizing a multidimensional approach that integrates linker extension with multivariate tuning strategies. We synthesized a series of isoreticular aluminum MOFs, termed Long-Arm MOFs (LAMOF-1 to LAMOF-10), featuring linkers that bear various combinations of heteroatoms in their five-membered ring moiety, replacing pyrazole with either thiophene, furan, or thiazole rings or a combination of two. Beyond their consistent and robust architecture, as demonstrated by permanent porosity and thermal stability, the LAMOF series offers a generalizable synthesis strategy. Importantly, these 10 LAMOFs establish new benchmarks for water uptake (up to 0.64 g g –1 ) and operational humidity ranges (between 13 and 53%), thereby expanding the diversity of water-harvesting MOFs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Plan Position Indicator Hydrometeor Field Statistics (PPIHYD) Evaluation Data Product Version 1.0

The PPIHYD evaluation data product provides distinct hydrometeor field statistics calculated from U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility scanning radar plan position indicator (PPI) scans. These statistics include the equivalent reflectivity factor and Doppler spectral width percentiles, min/max values, and first four moments (mean, standard deviation, skewness, and kurtosis) of distinct hydrometeor features (clustered hydrometeor fields). Statistics also include morphological properties, water content and precipitation rate parameterization-based estimates, and thermodynamic properties interpolated using the Interpolated Sonde value-added product (INTERPSONDE VAP). The data set is organized in tabular form and is accompanied by mask arrays with corresponding indices. This straightforward file structure simplifies scanning radar data processing and renders this data set useful for process understanding and model evaluation studies. This report describes the data set and its processing algorithm and provides some examples.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1986

Bubbles and braided jets in galaxies with compact radio nuclei

Narrow-band H-alpha CCD images showing ionized gas in organized kiloparsec-scale structures in three galaxies with low-level active nuclei are presented. The edge-on spiral NGC 3079 contains an apparent loop structure which corresponds to previously reported nonthermal radio emission along the minor axis. The optical emission probably results from interaction between the ejected plasma and the ISM in the disk and halo. The S0 galaxy NGC 3998 exhibits an S-shaped structure centered on the nucleus, with no other evidence for spiral structure. In the spiral galaxy NGC 4258, the presence of continuum-free emission-line arms which coincide with the nonthermal radio arms is confirmed. The morphology of the arms suggests the presence of two double-sided jets which braid or wrap around one another and which bifurcate on both sides. It is concluded that the optical and radio emission in NGC 3079 and in NGC 4258 are related, and it is suggested that both are powered by a plasma which flows from the active nucleus and dissipates kinetic energy in the surrounding ISM.

Ford, Holland C.↗
NASA NTRS1986

The structure of the unstable marine boundary layer viewed by lidar and aircraft observations

The marine atmospheric boundary layer (MABL) during a cold-air outbreak off the Atlantic coast between New York and Virginia on January 20, 1983 is characterized on the basis of airborne lidar observations, vertical soundings (potential temperature, vapor mixing ratio, relative humidity, and wind), and horizontal (770-m) temperature records. The data are presented in tables and graphs and analyzed in detail. The organization of the MABL is defined by 1-2-km-scale roll vortices with up and downdrafts of 2-4 m/s at 210 m; north-south orientation of the roll axes (parallel to the low-level winds); rising arms coinciding with updrafts rich in moisture, aerosols, and heat; and 150-200-m (peak-to-trough) undulations of the inversion. Consideration is given to problems inherent in the interpretation of lidar data for MABL studies.

Atlas, D.↗
DOE OSTI2026

Torsional Flexibility Tuning of Hexa-Carboxylate Ligands to Unlock Distinct Topological Access to Zirconium Metal–Organic Frameworks

Zirconium-based metal–organic frameworks (Zr-MOFs) exhibit remarkable structural diversity and functionality. However, uncovering new topological types within this family remains a considerable challenge today. Herein, we report two new hexa-topic ligands designed through the introduction of torsional flexibility, which enable the construction of two Zr-MOFs featuring rare network topologies. The (4,4′,4″,4‴,4‴′,4‴′′-((2-carboxybenzene-1,3,5-triyl)tris(9H-carbazole-9,3,6-triyl))hexabenzoic acid ligand (BTCH)) was obtained by replacing the rigid triptycene core in the H6PET-1 ligand (4,4′,4″,4‴,4‴′,4‴′′-(9,10-dihydro-9,10-[1,2]benzenoanthracene-2,3,6,7,14,15-hexayl)hexabenzoic acid) with a benzene-tricarbazole unit. Owing to its torsionally flexible core that allows rotational freedom to the arms, this ligand directs the construction of NU-2620 (NU represents Northwestern University), a Zr-MOF with 8-connected Zr6 clusters and the rare nuh topology. Further flexibilization of the carbazole units to benzene rings yielded the even more torsionally flexible 5′,5‴-bis(4-carboxyphenyl)-5″-(4,4″-dicarboxy-[1,1′:3′,1″-terphenyl]-5′-yl)-[1,1′:3′,1″:3″,1‴:3‴,1‴′-quinquephenyl]-4,4‴′-dicarboxylic acid ligand (CCTT), which forms NU-2630 featuring 6-connected clusters and the pcu topology. Both frameworks exhibit good chemical stability, prompting evaluation of their performance in CO2 photoreduction catalysis. Under low-concentration CO2 conditions, NU-2620 displays markedly higher catalytic activity than its benzene-based analogue, NU-2630, thanks to the abundance of photoactive carbazole units within its structure. These results demonstrate that introducing torsional flexibility in high-connected linkers can unlock access to new topologies and accelerates the reticular expansion of Zr-MOFs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Characterization of novel recombinant mycobacteriophages derived from homologous recombination between two temperate phages

Comparative analyses of mycobacteriophage genomes reveals extensive genetic diversity in genome organization and gene content, contributing to widespread mosaicism. We previously reported that the prophage of mycobacteriophage Butters (cluster N) provides defense against infection by Island3 (subcluster I1). To explore the anti-Island3 defense mechanism, we attempted to isolate Island3 defense escape mutants on a Butters lysogen, but only uncovered phages with recombinant genomes comprised of regions of Butters and Island3 arranged from left arm to right arm as Butters-Island3-Butters (BIBs). Recombination occurs within two distinct homologous regions that encompass lysin A, lysin B, and holin genes in one segment, and RecE and RecT genes in the other. Structural genes of mosaic BIB genomes are contributed by Butters while the immunity cassette is derived from Island3. Consequently, BIBs are morphologically identical to Butters (as shown by transmission electron microscopy) but are homoimmune with Island3. Recombinant phages overcome antiphage defense and silencing of the lytic cycle. We leverage this observation to propose a stratagem to generate novel phages for potential therapeutic use.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Seasonal Precipitation Classification during Surface Atmosphere Integrated Field Laboratory Campaign

The Surface Atmosphere Integrated Field Laboratory (SAIL) campaign, conducted from September 2021 to June 2023 in Crested Butte, Colorado, aimed to characterize precipitation processes in the Upper Colorado River Basin (UCRB). This increased observations of snowfall accumulation in this hydrologically significant watershed would be useful for quantitative precipitation estimates (QPE). Therefore, the Surface Quantitative Precipitation Estimate (SQUIRE) product was developed using the ARM-supported Colorado State University (CSU) X-band Precipitation Radar. Although SQUIRE will be only released for snowfall, by categorizing precipitation types, users can effectively utilize relevant datasets under diverse meteorological conditions. Moreover, the dataset facilitates validation of the QPE product and the analysis of seasonal variations in precipitation types at the surface. Hydrometeors classes are organized based on their phase and physical characteristics mapping the CSU (both winter Summer) and Py-ART classifications into four groups. 1. Liquid Precipitation: includs drizzle, rain, and large raindrops. 2. Frozen Snow and Ice : Pure Snow, combining ice crystals, aggregates, and vertically oriented ice structures. 3. Dense and Large frozen hydrometeors: including low- and high-density graupel and dry hail. 4.Melting: Wet Snow and Melting Hail, hydrometeors exhibiting both liquid and frozen characteristics.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2003

Neural Development Under Conditions of Spaceflight

One of the key tasks the developing brain must learn is how to navigate within the environment. This skill depends on the brain's ability to establish memories of places and things in the environment so that it can form cognitive maps. Earth's gravity defines the plane of orientation of the spatial environment in which animals navigate, and cognitive maps are based on this plane of orientation. Given that experience during early development plays a key role in the development of other aspects of brain function, experience in a gravitational environment is likely to be essential for the proper organization of brain regions mediating learning and memory of spatial information. Since the hippocampus is the brain region responsible for cognitive mapping abilities, this study evaluated the development of hippocampal structure and function in rats that spent part of their early development in microgravity. Litters of male and female Sprague-Dawley rats were launched into space aboard the Space Shuttle Columbia on either postnatal day eight (P8) or 14 (P14) and remained in space for 16 days. Upon return to Earth, the rats were tested for their ability to remember spatial information and navigate using a variety of tests (the Morris water maze, a modified radial arm maze, and an open field apparatus). These rats were then tested physiologically to determine whether they exhibited normal synaptic plasticity in the hippocampus. In a separate group of rats (flight and controls), the hippocampus was analyzed using anatomical, molecular biological, and biochemical techniques immediately postlanding. There were remarkably few differences between the flight groups and their Earth-bound controls in either the navigation and spatial memory tasks or activity-induced synaptic plasticity. Microscopic and immunocytochemical analyses of the brain also did not reveal differences between flight animals and ground-based controls. These data suggest that, within the developmental window studied, microgravity has minimal long-term impact on cognitive mapping function and cellular substrates important for this function. Any differences due to development in microgravity were transient and returned to normal soon after return to Earth.

Kosik, Kenneth S.↗
NASA NTRS2022

Mars 2020 Perseverance Rover SHERLOC Instrument Isolation System

The NASA Jet Propulsion Laboratory (JPL) successfully landed the Mars 2020 Perseverance Rover at Jezero Crater on the Martian surface. Perseverance’s main mission objective is to cache Martian rock and regolith samples in hermetically sealed tubes to be brought back to Earth by future missions. To achieve this goal the rover is equipped with a 2-meter-long Robotic Arm (RA) which manipulates the Turret to interact with the surface. The Turret is comprised of science instruments and tools that enable surface sampling and science. The backbone of the Turret hardware is the Rotary Percussive Coring Drill. The science instruments, which are directly mounted to the structural housing of this drill, must be able to withstand not only the launch and entry, descent and landing (EDL) loads of the vehicle but also the dynamic percussive environment, induced by the drill throughout surface operations. This paper discusses the technical hardware design, development and testing of a vibration isolation system to protect the Scanning Habitable Environments with Raman and Luminescence for Organics and Chemicals (SHERLOC) Instrument from these dynamic environments. The hardware design aspect of this problem was limited by both size and mass constraints. The Turret is tightly configured and the physical space in which hardware can reside is restricted due to multiple axes of surface interaction points. Another driving requirement is the extreme range of thermal non-operational environment from -135C to +90C. This, in addition to SHERLOC being a heavier instrument than previously integrated on a turret, made the use of isolation systems employed on previous rover missions problematic. The final design incorporates custom wire mesh springs preloaded within titanium hexapod struts equipped with flexure ends. Custom versions of commercially available wire mesh springs were designed and tested. These custom springs differed in dimension, density and stiffness from the off the shelf options. The newly designed springs went through various stages of flight acceptance testing. Detailed physics-based modeling to understand what loads the isolation system would experience was used to define the test conditions for the springs and entire isolation subsystem. The testing program developed around this was extensive to fully characterize the isolation performance over cleanliness levels, temperature and life. Another major aspect of this work was developing a method of replicating the drill’s percussive environment for performance and life testing of Turret mounted hardware. Attaching the instrument to an operating drill for testing was not a viable option. A method of using a Highly Accelerated Life Test (HALT) table was developed and applied across the project as the most representative and tunable option to physically simulate this new environment. This method, along with launch environment random vibration testing, was used to build an entire dynamic qualification and flight hardware test program. The results of the design, modeling, testing and analysis of the SHERLOC Isolation System is described throughout the following paper.

Krafchak, Todd↗