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At least 127 records · Page 7

Structure of an EIIC sugar transporter trapped in an inward-facing conformation

The phosphoenolpyruvate-dependent phosphotransferase system (PTS) transports sugar into bacteria and phosphorylates the sugar for metabolic consumption. The PTS is important for the survival of bacteria and thus a potential target for antibiotics, but its mechanism of sugar uptake and phosphorylation remains unclear. The PTS is composed of multiple proteins, and the membrane-embedded Enzyme IIC (EIIC) component transports sugars across the membrane. Crystal structures of two members of the glucose superfamily of EIICs, bcChbC and bcMalT, were solved in the inward-facing and outward-facing conformations, and the structures suggest that sugar translocation could be achieved by movement of a structured domain that contains the sugar-binding site. However, different conformations have not been captured on the same transporter to allow precise description of the conformational changes. Here we present a crystal structure of bcMalT trapped in an inward-facing conformation by a mercury ion that bridges two strategically placed cysteine residues. The structure allows direct comparison of the outward- and inward-facing conformations and reveals a large rigid-body motion of the sugar-binding domain and other conformational changes that accompany the rigid-body motion. All-atom molecular dynamics simulations show that the inward-facing structure is stable with or without the cross-linking. Here, the conformational changes were further validated by single-molecule Föster resonance energy transfer (smFRET). Combined, these results establish the elevator-type mechanism of transport in the glucose superfamily of EIIC transporters.

59 BASIC BIOLOGICAL SCIENCES↗

Solid face sheets enable lattice metamaterials to withstand high-amplitude impulsive loading without yielding

Owing to their ability to provide tunable mechanical responses, lattice materials are frequently studied to elucidate their response to static and dynamic loads. However, these roles are typically in opposition: static loads must be supported sufficiently far away from the onset of buckling or yielding, whereas dynamic loads are typically ameliorated by crushing of the lattice, which provides excellent energy-absorption due to the large plastic deformation accompanying densification. In contrast, this work considers the octet truss as an exemplar topology, in a structural role where it must simultaneously support static loads while enduring high-amplitude impulsive loads. This study focuses on the ability to withstand impulsive loads without yielding, an essential prerequisite to enduring dual loading. Computational studies using the ALE3D hydrocode were performed to examine the response of the octet truss under a short temporal width impulse shape associated with laser-driven shocks. A key finding was that covering the lattice with a solid face sheet and treating this face sheet thickness as a design variable allows the Taylor-like pulse to be attenuated prior to entering the weaker lattice, at the cost of added mass up front. Experimental validation was accomplished by laser-driven shock testing, using octet trusses printed out of Ti-5Al-5V-5Mo-3Cr. The results show that for a given quantity of mass, the attenuation is maximized when as much mass as possible is moved into the face sheet, leaving a more slender lattice structure. The effect of placing mass in the face sheet rather than lattice beams dominates the effect of relative density, to the point where a low-mass structure with most of the mass concentrated in the face sheet can outperform a high-mass structure with most of the mass in the lattice. Finally, by further understanding the propagation of short pulse width waves within under-dense structures, this study expand the domain of applicability of such structures, including lattice materials, to challenging dual-loading regimes spanning decades of strain rates.

36 MATERIALS SCIENCE↗

Effect of Surface Site Interactions on Potentiometric Titration of Hematite (α-Fe2O3) Crystal Faces

Time dependent potentiometric pH titrations were used to study the effect of atomic scale surface structure on the protonation behavior of the structurally well defined hematite/aqueous electrolyte interfaces. Our recently proposed thermodynamic model [1,23] was applied to measured acidimetric and alkalimetric titration hysteresis loops, collected from highly organized (001), (012), and (113) crystal face terminations using pH equilibration times ranging from 15 to 30 mins. Hysteresis loop areas indicate that (001) faces equilibrate faster than the (012) and (113) faces, consistent with the different expected ensembles of singly, doubly, and triply coordinated surface sites on each face. Strongly non-linear hysteretic pH-potential relationships were found, with slopes exceeding Nernstian, collectively indicating that protonation and deprotonation is much more complex than embodied in present day surface complexation models. The asymmetrical shape of the acidimetric and alkalimetric titration branches were used to illustrate a proposed steric "leaky screen" repulsion/trapping interaction mechanism that stems from high affinity singly-coordinated sites electrostatically and sterically screening lower affinity doubly and triply coordinated sites. Our data indicate that site interaction is the dominant phenomenon defining surface potential accumulation behavior on single crystal faces of metal oxide minerals.

Environmental Molecular Sciences Laboratory↗

Surface Potentials of (001), (012), (113) Hematite (α-Fe2O3) Crystal Faces in Aqueous Solution

Hematite (α-Fe2O3) is an important candidate electrode for energy system technologies such as photoelectrochemical water splitting. Conversion efficiency issues with this material are presently being addressed through nanostructuring, doping, and surface modification. However, key electrochemical properties of hematite/electrolyte interfaces remain poorly understood at a fundamental level, in particular those of crystallographically well-defined hematite faces likely present as interfacial components at the grain scale. We report a combined measurement and theory study that isolates and evaluates the equilibrium surface potentials of three nearly defect-free single crystal faces of hematite, titrated from pH 3 to 11.25. We link measured surface potentials with atomic-scale surface topology, namely the ratio and distributions of surface protonation/deprotonation site types expected from the bulk structure. The data reveal face-specific points of zero potential (PZP) relatable to points of zero net charge (PZC) that lie within a small pH window (8.35-8.85). Over the entire pH range the surface potentials show strong non-Nernstian charging at pH extremes separated by a wide central plateau in agreement with surface complexation modeling predictions, but with important face-specific distinctions. We introduce a new surface complexation model based on fitting the entire data set that depends primarily only on the proton affinities of two site types and the two associated electrical double layer capacitances. The data and model show that magnitudes of surface potential biases at the pH extremes are on the order of 100 mV, similar to the activation energy for electron hopping mobility. An energy band diagram for hematite crystallites with specific face expression and pH effects is proposed that could provide a baseline for understanding water splitting performance enhancement effects from nanostructuring, and guide morphology targets and pH for systematic improvements in efficiency.

Environmental Molecular Sciences Laboratory↗

Optical and electrochemical effects of H 2 and O 2 bubbles at upward-facing Si photoelectrodes

The effects of the size, contact-angle, and coverage of gas bubbles on solar fuels devices were characterized at cm-scale, upward-facing planar and microwire-array Si photoelectrodes in stagnant electrolytes. Experimental measurements were supported by ray-tracing simulations of surface attached gas bubble films. A dilute, redox-active tracer allowed for the quantification of the mass-transport effects of bubble coverage during photoanodic O 2 (g) evolution at upward-facing photoanodes in 1.0 M KOH(aq.). Measurements of the gas coverage at upward-facing p-Si photocathodes in 0.50 M H 2 SO 4 (aq.) allowed for the nucleation rate and contact angle of H 2 (g) bubbles to be evaluated for systems having various surface free energies. Under simulated solar illumination, the rapid departure of small O 2 (g) bubbles produced stable photocurrents at upward-facing oxygen-evolving Si photoanodes and yielded increased mass-transport velocities relative to a stagnant electrolyte, indicating that bubbles can provide a net benefit to the photoelectrochemical performance of an upward-facing photoanode in solar fuels devices.

14 SOLAR ENERGY↗

Identity Document to Selfie Face Matching Across Adolescence

Matching live images (“selfies”) to images from ID documents is a problem that can arise in various applications. A challenging instance of the problem arises when the face image on the ID document is from early adolescence and the live image is from later adolescence. We explore this problem using a private dataset called Chilean Young Adult (CHIYA) dataset, where we match live face images taken at age 18-19 to face images on scanned ID documents created at ages 9 to 18. State-of-the-art deep learning face matchers (e.g., ArcFace) have relatively poor accuracy for document-to-selfie face matching. To achieve higher accuracy, we fine-tune the best available open-source model with triplet loss for a few-shot learning. Experiments show that our approach achieves higher accuracy than the DocFace+ model recently developed for this problem. Our fine-tuned model was able to improve the true acceptance rate for the most difficult (largest age span) subset from 62.92% to 96.67% at a false acceptance rate of 0.01%. Our fine-tuned model is available for use by other researchers.

Albiero, Vítor↗

Observations Regarding Face Shield Designs Using Commonly Available Materials

A Sandia COVID-19 LDRD effort, the Sandia E-PiPEline Team, systematically evaluated design options for face shields constructed from commonly available materials (CAMs). This study is not focused on face shields for medical applications, and as such, has excluded labeling and flammability considerations suggested by the FDA. Design options for face shields were analyzed with subject matter expert input considering the design's effectiveness (seal around face), reusability (compatibility with solvents, degree of inertness), producibility (ability to obtain materials, build time), cost, and comfort (fit around head, contact surface interface). Observations for the design of face shields using CAMS are provided here.

59 BASIC BIOLOGICAL SCIENCES↗

Wood Decomposition: Understanding Processes Regulating Carbon Transfer to Soil Carbon Pools Using FACE Wood at Multiple Scales

Dead wood comprises approximately 20% of forest biomass. While it is widely recognized for its role in ecosystem functions relative to habitat and nutrient cycling, there are considerable uncertainties associated with its role in the forest carbon (C) cycle. The principal uncertainty is whether dead wood contributes to the soil C pool. With little supporting evidence, the presumption is that C in wood is respired back to the atmosphere through decomposition processes. The inability to attribute forest soil C to its source components has been a barrier to addressing this important forest carbon cycle question. The U.S. Dept. of Energy’s Free Air CO 2 Enrichment (FACE) experiment produced wood that has a distinct δ 13 C signature that can be used to trace its fate through organic matter decomposition processes. Using two hardwood species (aspen, birch) from the Rhinelander FACE site and pine from the Duke FACE site, the FACE Wood Decomposition Experiment (FWDE) was established in 2011 to provide the foundation for addressing wood decomposition and its associated processes at the continental scale. Plots were installed on nine experimental forests representing a range in bioclimatic forest conditions within the continental U.S. Each identical plot has logs of the three species incubating on the soil surface and pine logs suspended in the air, representing standing dead wood. Abiotic conditions are monitored continuously, and soil and forest conditions characterized. Logs on the sites have been measured every two years to assess decay. This project was initiated in 2016 with specific objectives to: (a) determine whether dead wood C contributes to the soil C pool, (b) assess the fungal community composition mediating the decay, (c) assess the interactions of termites with microbial decay, and (d) develop a mechanistic model to simulate wood decomposition. The principal field sampling was conducted in 2017; correspondingly, the results reported here represent six years of decomposition. Wood decomposition varied from 13 to 75 % loss across the bioclimatic gradient. Sites in the southeastern U.S. coastal plain and piedmont had fastest decomposition rates for each of the species. In contrast sites in the Rocky Mountains had the slowest decay rates, which were associated with cold temperatures. Standing deadwood decomposes at a much slower rate than logs on the soil surface; a response due to differences in wood moisture content. Wood carbon was measured in the mineral soil across each of the sites; accordingly, this is the first study to affirm that a portion of the wood C does become part of the soil C pool. Averaged across the FWDE sites, approximately 1.4% of the soil C in the upper 10 cm of the mineral soil directly beneath the log was derived from the deadwood; within 50 cm of the log, wood C accounted for an average of 2.1%. These results demonstrate that the contribution of deadwood to the soil C pool is a soil volume surrounding the log; and it’s likely a larger volume than what we sampled. We also hypothesized that there would be more wood C in the mineral soil when termites were present. However, that hypothesis wasn’t supported by measurements on the Santee Experimental Forest termite exclusion (SEF-TX) plots under FACE logs that incubated for 6 years. Across all the sites, the majority of the wood C was transferred to the atmosphere. Approximately 7,000 fungal species were sequenced. The fungal communities were different among each of the sites suggesting local colonization; interestingly, within sites the three species also exhibited differences in fungal community composition. White rot was the dominant fungal form in pine and hardwood, which yields less lignin in the wood residue. Brown rot occurred in approximately 20% of the pine and aspen logs, and it did not occur in birch logs. The occurrence of brown rot was only weakly correlated to site factors. We conducted two additional experiments to assess the effects of termites on wood decomposition and the associated interactions with the fungal community. Pine and birch logs were incubated on the Santee Experimental Forest termite exclusion plots in upland and riparian settings. There was no difference in decay between areas where termites were able colonize and plots where they had been excluded. Highly variable foraging by termites was a primary contributor the result. Correspondingly, fungal communities did not vary on logs incubated among the two treatments, but they did reflect site and species differences. The second experiment was conducted on each of the nine FWDE sites where pine and birch wood blocks were incubated for two years with and without a wrapping designed to exclude termites and other arthropods. The effects of termites on wood decomposition could be confirmed on two of the four sites known to have subterranean termites. On the two southeastern sites, termites contributed approximately 8% to mass loss in pine blocks over two years. A major factor clouding the role of termites in wood decomposition is the inability to assess the time, duration, and intensity of the foraging with the logs. Another uncertainty is related to whether a piece of wood will be foraged. A process-based wood decomposition model was developed representing biological processes mediated by fungi, bacteria, termites, beetles, as well as physical and chemical processes. The Coarse Wood Decomposition Model (CWDM) was parameterized based on a thorough review of the literature and it was validated using data from the FWDE. In the initial setup, the model considers softwoods and hardwoods groups, as opposed to individual species. Sensitivity analyses incorporating climate data from 89 locations in North America demonstrated that CWDM was stable from the tropics to the boreal zone. Model calibration and validation showed it to perform very well. The CWDM is poised for additional testing with subsequent FWDE data as well as other data sets, and it is available for incorporation into forest biogeochemical models or DOEs Earth System Modeling framework.

54 ENVIRONMENTAL SCIENCES↗

Measuring the Aerosol Collection Efficiency and Detector Face Deposition of the Bladewerx KatanaGBM™ (Glove Box Monitor) Continuous Air Monitor

To assist Bladewerx LLC (the Requestor) in testing their new CAM (continuous air monitor) sampler model Bladewerx™ KatanaGBM™ (Glove Box Monitor), the Laboratory (LANL, i.e. Los Alamos National Laboratory) measured the aerosol particle collection efficiency and detector face deposition for several experimental test conditions. Bladewerx LLC provided a prototype KatanaGBM with a set of requested tests. According to these parameters, LANL designed and performed a series of experiments to (A.) Measure the aerosol particle collection efficiency and detector face deposition of the KatanaGBM at three air flow rates of 5, 42, and 70 ALPM (ambient liters per minute), (B.) Measure the collection efficiency and detector face deposition using two sizes of oil droplet particles: 3±1 and 10±1 µm (micron) AED (aerodynamic equivalent diameter), and (C.) Test the KatanaGBM for aerosol collection efficiency and detector face deposition with the wind tunnel’s air flow at three different angles 0°, 45° and 90° (compared to the KatanaGBM’s filter face).

61 RADIATION PROTECTION AND DOSIMETRY↗

Self-stabilizing radial face seal

A self-stabilizing radial face seal comprises an axial member and a primary seal ring juxtapositioned to a seal seat. At least one primary seal ring and seal seat unit is affixed to the axial member so as to rotate with it. The primary seal ring has a front face which opposes a face of the seal seat. The seal has both high-pressure and low-pressure regions of fluid, and seal seat is provided with a porous ring-like circumferential structure in the face of the seal seat opposite the front face of the primary seal ring.

Etsion, I.↗

Damage Tolerance of Sandwich Plates with Debonded Face Sheets

Axial compression tests were performed on debonded sandwich composites made of graphite/epoxy face-sheets and aramid fiber honeycomb core. The sandwich beams were manufactured using a vacuum baccrin2 process. The face-sheet and the sandwich beam were co-cured. Delamination between one of the face sheets and the core was introduced by using a Teflon layer during the curing process. Axial compression tests were performed to determine the ultimate load carrying capacity of the debonded beams. Flatwise tension tests and Double Cantilever Beam tests were performed to determine. respectively, the strength and fracture toughness of the face-sheet/core interface. From the test results semi-empirical formulas were derived for the fracture toughness and ultimate compressive load carrying capacity in terms of the core density. core thickness. face-sheet thickness and debond length. Four different failure modes and their relation to the structural properties were identified. Linear buckling analysis was found to be inadequate in predicting the compressive load carrying capacity of the debonded sandwich composites.

Avery, John L., III↗

Helical Face Gear Development Under the Enhanced Rotorcraft Drive System Program

U.S. Army goals for the Enhanced Rotorcraft Drive System Program are to achieve a 40 percent increase in horsepower to weight ratio, a 15 dB reduction in drive system generated noise, 30 percent reduction in drive system operating, support, and acquisition cost, and 75 percent automatic detection of critical mechanical component failures. Boeing s technology transition goals are that the operational endurance level of the helical face gearing and related split-torque designs be validated to a TRL 6, and that analytical and manufacturing tools be validated. Helical face gear technology is being developed in this project to augment, and transition into, a Boeing AH-64 Block III split-torque face gear main transmission stage, to yield increased power density and reduced noise. To date, helical face gear grinding development on Northstar s new face gear grinding machine and pattern-development tests at the NASA Glenn/U.S. Army Research Laboratory have been completed and are described.

Heath, Gregory F.↗

The Effects of Co-cured Versus Precured Carbon/Epoxy Face Sheets on the Modulus and Compression After Impact Strength of Honeycomb Sandwich Structure

This study presents experimental results of compression after impact (CAI) and stiffness testing of aluminum honeycomb core sandwich structure with quasi-isotropic face sheets that have either been co-cured or precured (and then bonded to the core in a secondary operation). The co-cured face sheets contain some ply waviness whereas the precured face sheets did not. The effect of this waviness was ascertained for two important design parameters for the Space Launch System (SLS) Payload Adapter Fitting (PAF); compressive modulus and CAI strength. It was found that there was no effect on the modulus between co-cured and precured face sheets using the material and processes in this study. In addition, there was no difference in CAI strength behavior between the co-cured and precured face sheet.

sandwich structure↗

The Effects of Off-Axis Loading on the Compression After Impact Strength of Quasi-Isotropic Face Sheet Honeycomb Core Sandwich Structure

This study presents experimental results of compression after impact (CAI) testing of aluminum honeycomb core sandwich structure with face sheets made of co-cured T1100/3960 quasi-isotropic carbon/epoxy when tested at +22.5⁰ and -22.5⁰ with respect to the 0⁰ fibers. In a previous study examining the CAI strengths of honeycomb sandwich structure, it was found that specimens had different CAI strengths, based on a [-45/90/+45/0]s layup, depending on whether they were tested in the 0⁰ direction (face sheet layup of [-45/90/+45/0]s) or 90⁰ direction (face sheet layup of [+45/0/-45/90]s). The CAI strength results showed that the specimens tested in the 90⁰ direction had a 19% drop in CAI strength compared to specimens tested in the 0⁰ direction. This was attributed to the 0⁰ load bearing plies in the 0⁰ direction specimens being “tucked in” at the center of the specimen thus providing more stability against microbuckling. This raised the question as to what CAI strength would specimens tested at +22.5⁰ (face sheet layup of [-22.5/- 67.5/+67.6/+22.5]s) and -22.5⁰ (face sheet layup of [-67.5/+67.5/+22.5/-22.5]s) have compared to specimens tested in the 0⁰ and 90⁰ direction. Results presented in this study show that the specimens loaded at +22.5⁰ and -22.5⁰ have a similar average CAI strength compared to the specimens loaded in the 0⁰ direction. The specimens loaded in the 90⁰ direction exhibit 16% lower average CAI strength. Additional specimens were tested in the +45⁰ direction to put the 0⁰ load bearing fibers on the outside of the specimen to see if this would decrease the strength as has been documented for undamaged strength. These specimens have average CAI strength values between the 0⁰ direction average CAI strength values and the 90⁰ direction average CAI strength values.

Sandwich structure↗

A Chemical Functionality Approach Towards the Formulation of a High-Fidelity Surrogate Fuel for FACE Gasoline F

1H and 13C nuclear magnetic resonance spectroscopy are used to determine an accurate, quantitative description of the atom type population of FACE-F, a research-grade gasoline. On this basis, a surrogate palette of seventeen components is proposed. Two surrogate fuels are formulated; a seven-component mixture (FGF-TCD1), and a nine-component mixture (FGF-TCD2). The autoignition behavior of FGF-TCD1 and FGF-TCD2 is investigated. Measurements are compared to tests with FACE-F, and blends of FACE-F with ethanol. Conditions at the transition from low-temperature to NTC chemistry are targeted such that first-stage, main ignition times, and exothermicity can be monitored. From the same manner, perturbed ignition characteristics due to the ethanol addition can be quantified. The results of this study demonstrate that although the atom type populations of both surrogate fuels are consistent with FACE-F and each other, the observed reactivity is different. This is may be attributed to atom type descriptors alone being insufficient to capture the combustion behavior of FACE-F. Interestingly, however, similar degree of reactivity differences in response to ethanol blending is observed.

autoignition↗

Face Recognition Algorithm Bias: Performance Differences on Images of Children and Adults

In this work, we examine if current state-of-the-art deep- learning enhanced face recognition systems exhibit a negative bias for children as compared to adults. The systems selected for this work are five top performing1 commercial off-the-shelf (COTS) face recognition systems, two government off-the-shelf (GOTS) face recognition systems and one open-source face recognition solution. The datasets used to evaluate the performance of the systems are both unconstrained in age, pose, illumination, and expression and are publicly available. These datasets are indicative of photo journalistic face datasets published and evaluated on over the last few years. Our findings show a negative bias (i.e., a considerable degradation in performance) for each algorithm on children when compared to the performance obtained on adults. Genuine and imposter distributions high- light the performance bias between the datasets further sup- porting the need for a deeper investigation into algorithm bias as a function of age cohorts. To combat the performance decline on the child demographic, several score- level fusion strategies were evaluated. This work identifies the best score-level fusion technique for child demographic.

Srinivas, Nisha↗

Creating a Face from a DNA Sample

The idea of creating a recognizable face from a sample of DNA is moving closer to reality as Oak Ridge National Laboratory (ORNL) researchers employ a novel statistical representation of the face and a genome-wide association study (GWAS) to relate facial characteristics to genetic mutations. The reduction in cost of DNA sequencing and genotyping technology is leading to the availability of massive datasets of human genome sequences and human genotypes representing mutational variation among people. These large-scale data provide for the first time the potential to correlate an individual’s specific genetic code with their physical appearance. Using a specialized statistical method for representing the entire 3D shape of faces, ORNL researchers performed a GWAS to discover associations between genetic mutations and aspects of face shape. Data from 3,556 subjects resulted in the discovery of a very large set of statistically significant associations, which is strong evidence for the viability of predicting faces from DNA.

59 BASIC BIOLOGICAL SCIENCES↗

Segmented face seal assembly and an associated method thereof

A turbomachine and a method of operating the turbomachine are disclosed. The turbomachine includes a stator, a rotor including a rotor bearing face, and a face seal assembly including a first segmented seal ring and a second segmented seal ring. The first segmented seal ring includes a plurality of joints and a first flat-contact surface and the second segmented seal ring includes a plurality of segment ends and a second flat-contact surface. One of the first and second segmented seal rings includes a seal bearing face. The second segmented seal ring is coupled to the first segmented seal ring such that the second flat-contact surface is in contact with the first flat-contact surface. The plurality of segment ends is circumferentially offset from the plurality of joints. The first segmented seal ring is slidably coupled to the stator and defines a face seal clearance between the rotor and seal bearing faces.

42 ENGINEERING↗