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At least 1,729 records · Page 96

Cryo-EM analysis of S. aureus TarL, a polymerase in wall teichoic acid biogenesis central to virulence and antibiotic resistance

Wall teichoic acid (WTA), a covalent adduct of Gram-positive bacterial cell wall peptidoglycan, contributes directly to virulence and antibiotic resistance in pathogenic species. Polymerization of the Staphylococcus aureus WTA ribitol-phosphate chain is catalyzed by TarL, a member of the largely uncharacterized TagF-like family of membrane-associated enzymes. We report the cryo–electron microscopy structure of TarL, showing a tetramer that forms an extensive membrane-binding platform of monotopic helices. TarL is composed of an amino-terminal immunoglobulin-like domain and a carboxyl-terminal glycosyltransferase-B domain for ribitol-phosphate polymerization. The active site of the latter is complexed to donor substrate cytidine diphosphate–ribitol, providing mechanistic insights into the catalyzed phosphotransfer reaction. Furthermore, the active site is surrounded by electropositive residues that serve to retain the lipid-linked acceptor for polymerization. Our data advance general insight into the architecture and membrane association of the still poorly characterized monotopic membrane protein class and present molecular details of ribitol-phosphate polymerization that may aid in the design of new antimicrobials.

59 BASIC BIOLOGICAL SCIENCES↗

Measurements of the work function of single-walled carbon nanotubes encapsulated by AgI, AgCl, and CuBr using Kelvin probe technique with different kinds of probes

We report the results on the measurements of the work function of single-walled carbon nanotubes encapsulated by Agl (AgI@SWCNT), AgCl (AgCl@SWCNT), and CuBr (CuBr@SWCNT) by the local Kelvin probe technique. We found the values of the work function of tubes encapsulated with AgI and AgCl (Φ(AgI@SWCNT) = 5.08 ± 0.02, Φ(AgCl@SWCNT) = 5.10 ± 0.02 eV) to exceed substantially that of pristine carbon nanotubes, and the value of the work function of carbon nanotubes encapsulated with CuBr is Φ(CuBr@SWCNT) = 4.89 ± 0.03 (eV). The measurements are carried out using different kinds of microscope probes including multi-walled carbon nanotube tips.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Quantum Dynamics of a Domain Wall in the Presence of Dephasing

We compare quantum dynamics in the presence of Markovian dephasing for a particle hopping on a chain and for an Ising domain wall whose motion leaves behind a string of flipped spins. Exact solutions show that on an infinite chain, the transport responses of the models are nearly identical. However, on finitelength chains, the broadening of discrete spectral lines is much more noticeable in the case of a domain wall.

97 MATHEMATICS AND COMPUTING↗

Competition between domain walls and the reverse magnetization in the magnetic relaxation of a Pt/Co/Ir/Co/Pt spin switcher

A multilayer Pt/Co/Ir/Co/Pt/GaAs heterostructures demonstrates a long term (to several hours) magnetic relaxation between two stable states of the magnetization of the system. The magnetization reversal of the heterostructure layers occurs both due to the formation of nuclei of the reverse magnetization domains and as a result of their further growth by means of motion of domain walls. The competition between two these processes provides a nonexponential character of the magnetic relaxation. At 300 K, the contributions of these processes to the relaxation are commensurable, while, at temperatures lower than 200 K, the contribution of the nucleation is suppressed and the magnetic relaxation occurs as a result of motion of the domain walls.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Analytical Model for Atomic-Layer Deposition of Thin Films on the Walls of Cylindrical Holes with a Relatively High Aspect Ratio

A theoretical model that predicts the thickness of a film grown on the walls of high-aspect-ratio cylindrical hole using the atomic-layer deposition is proposed. The model can be used to calculate the critical time of precursor supply needed for conformal coating of the walls. An analytical model is derived to estimate the minimum time of precursor supply versus parameters of the technological process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Atomic Layer Deposition of Thin Films onto 3D Nanostructures: The Effect of Wall Tilt Angle and Aspect Ratio of Trenches

A theoretical model predicting the spatial profile of a film grown on walls by atomic layer deposition (ALD) is developed. The possible initial nonverticality of trench walls and the dynamic variation of the aspect ratio of the structure in the process of film growth in nanosized trenches are considered in this model. The dependence of the resulting film thickness and conformity on ALD process parameters is studied theoretically.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Hydrogen Retention in Lithium on Metallic Walls from “In Vacuo” Analysis in LTX and Implications for High-Z Plasma-Facing Components in NSTX-U

The application of lithium to plasma-facing components (PFCs) has long been used as a technique for wall conditioning in magnetic confinement devices to improve plasma performance. Determining the characteristics of PFCs at the time of exposure to the plasma, however, is difficult because they can only be analyzed after venting the vacuum vessel and removing them at the end of an operational period. The Materials Analysis and Particle Probe (MAPP) addresses this problem by enabling PFC samples to be exposed to plasmas, and then withdrawn into an analysis chamber without breaking vacuum. The MAPP system was used to introduce samples that matched the metallic PFCs of the Lithium Tokamak Experiment (LTX). Lithium that was subsequently evaporated onto the walls also covered the MAPP samples, which were then subject to LTX discharges. In vacuo extraction and analysis of the samples indicated that lithium oxide formed on the PFCs, but improved plasma performance persisted in LTX. The reduced recycling this suggests is consistent with separate surface science experiments that demonstrated deuterium retention in the presence of lithium oxide films. Since oxygen decreases the thermal stability of the deuterium in the film, the release of deuterium was observed below the lithium deuteride dissociation temperature. This may explain what occurred when lithium was applied to the surface of the NSTX Liquid Lithium Divertor (LLD). The LLD had segments with individual heaters, and the deuterium-alpha emission was clearly lower in the cooler regions. The plan for NSTX-U is to replace the graphite tiles with high-Z PFCs, and apply lithium to their surfaces with lithium evaporation. Experiments with lithium coatings on such PFCs suggest that deuterium could still be retained if lithium compounds form, but limiting their surface temperatures may be necessary.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Data for Simultaneous Suppression of Lignin, Tricin and Wall-Bound Phenolic Biosynthesis via the Expression of Monolignol 4- O -Methyltransferases in Rice

Grass lignocelluloses feature complex compositions and structures. In addition to the presence of conventional lignin units from monolignols, acylated monolignols and flavonoid tricin also incorporate into lignin polymer; moreover, hydroxycinnamates, particularly ferulate, cross-link arabinoxylan chains with each other and/or with lignin polymers. These structural complexities make grass lignocellulosics difficult to optimize for effective agro-industrial applications. In the present study, we assess the applications of two engineered monolignol 4- O -methyltransferases (MOMTs) in modifying rice lignocellulosic properties. Two MOMTs confer regiospecific para-methylation of monolignols but with different catalytic preferences. The expression of MOMTs in rice resulted in differential but drastic suppression of lignin deposition, showing more than 50% decrease in guaiacyl lignin and up to an 90% reduction in syringyl lignin in transgenic lines. Moreover, the levels of arabinoxylan-bound ferulate were reduced by up to 50%, and the levels of tricin in lignin fraction were also substantially reduced. Concomitantly, up to 11 μmol/g of the methanol-extractable 4- O -methylated ferulic acid and 5–7 μmol/g 4- O -methylated sinapic acid were accumulated in MOMT transgenic lines. Both MOMTs in vitro displayed discernible substrate promiscuity towards a range of phenolics in addition to the dominant substrate monolignols, which partially explains their broad effects on grass phenolic biosynthesis. The cell wall structural and compositional changes resulted in up to 30% increase in saccharification yield of the de-starched rice straw biomass after diluted acid-pretreatment. These results demonstrate an effective strategy to tailor complex grass cell walls to generate improved cellulosic feedstocks for the fermentable sugar-based production of biofuel and bio-chemicals.

Biomass Analytics↗

Outer Hair Cell Lateral Wall Structure Constrains the Mobility of Plasma Membrane Proteins

Nature’s fastest motors are the cochlear outer hair cells (OHCs). These sensory cells use a membrane protein, Slc26a5 (prestin), to generate mechanical force at high frequencies, which is essential for explaining the exquisite hearing sensitivity of mammalian ears. Previous studies suggest that Slc26a5 continuously diffuses within the membrane, but how can a freely moving motor protein effectively convey forces critical for hearing? To provide direct evidence in OHCs for freely moving Slc26a5 molecules, we created a knockin mouse where Slc26a5 is fused with YFP. These mice and four other strains expressing fluorescently labeled membrane proteins were used to examine their lateral diffusion in the OHC lateral wall. All five proteins showed minimal diffusion, but did move after pharmacological disruption of membrane-associated structures with a cholesterol-depleting agent and salicylate. Thus, our results demonstrate that OHC lateral wall structure constrains the mobility of plasma membrane proteins and that the integrity of such membrane-associated structures are critical for Slc26a5’s active and structural roles. The structural constraint of membrane proteins may exemplify convergent evolution of cellular motors across species. Our findings also suggest a possible mechanism for disorders of cholesterol metabolism with hearing loss such as Niemann-Pick Type C diseases.

59 BASIC BIOLOGICAL SCIENCES↗

Overexpression of Rice Wall-Associated Kinase 25 (OsWAK25) Alters Resistance to Bacterial and Fungal Pathogens

Wall-associated kinases comprise a sub-family of receptor-like kinases that function in plant growth and stress responses. Previous studies have shown that the rice wall-associated kinase, OsWAK25, interacts with a diverse set of proteins associated with both biotic and abiotic stress responses. Here, we show that wounding and BTH treatments induce OsWAK25 transcript expression in rice. We generated OsWAK25 overexpression lines and show that these lines exhibit a lesion mimic phenotype and enhanced expression of rice NH1 (NPR1 homolog 1), OsPAL2, PBZ1 and PR10. Furthermore, these lines show resistance to the hemibiotrophic pathogens, Xanthomonas oryzae pv. oryzae (Xoo) and Magnaporthe oryzae, yet display increased susceptibility to necrotrophic fungal pathogens, Rhizoctonia solani and Cochliobolus miyabeanus.

59 BASIC BIOLOGICAL SCIENCES↗

High flux boiling heat transfer enhancement using triangle shaped vertical walls in two-phase microchannel heat exchangers

Two-phase heat exchangers allow heat loads to be dissipated with lower fluid flow rates without inducing thermal gradients, and high surface area microchannels further reduce the thermal resistance of these heat exchangers. However, there are many practical limits that prevent widespread use of two-phase microchannel heat exchangers. Many authors have looked to address these practical limits by treating the channel floors or creating artificial nucleation sites. Few works look to enhance heat transfer in the walls of channels with hydraulic diameters below 200 μm. This work is aimed at increasing the efficacy of high aspect ratio silicon microchannels that use R134a as the working fluid. The 125 parallel channels are 40 μm wide, 200 μm deep, and 2 mm long and contain a 15 μm wide, 150 μm long restriction at each inlet. The thermal resistance and dryout characteristics of traditional, plain-walled channels are compared to channels with 2 area enhancement patterns each of which increases the area available for heat transfer by 41%. Furthermore, a resistance to dryout is seen in both area-enhanced test sections, and a 15.5% reduction in thermal resistance is shown for the area-enhanced part with a 6 μm triangular pitch. Only a 7.8% performance increase is seen in the test section with a 3 μm pitch. Both area enhancement patterns induce an average 27% increase in pressure drop for all tests. Heat transfer characteristics are solved for using a finite element analysis (FEA) model. By examining heat transfer coefficients and local heat fluxes, it is postulated that the area enhancement reduces heat transfer coefficients and the performance increase is caused by increasing the number of active nucleation sites.

42 ENGINEERING↗

Risk Assessment of Energy-Efficient Walls

This multi-year project aims to provide the residential construction industry with energy-efficient wall designs that are moisture durable. The present work focused on the initial step of this project, which is to develop a moisture durability protocol that identifies energy efficient wall designs that have a low probability of experiencing moisture problems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Design of SC walls and slabs for impulsive loading

Reinforced concrete (RC) structures have historically been the preferred choice for blast resistant structures because of their mass and the ductility provided by steel reinforcement. Steel-plate composite (SC) walls are a viable alternative to RC for protecting the infrastructure against explosive threats. SC structures consist of two steel faceplates with a plain concrete core between them. The steel faceplates are anchored to the concrete using stud anchors and connected to each other using tie bars. SC structures provide mass from the concrete infill and ductility from the continuous external steel faceplates. This dissertation presents findings and recommendations from experimental and analytical investigations of the performance of SC walls subjected to far-field blast loads.

42 ENGINEERING↗

Modular Connection Technologies for Composite Walls in SMRs: Development and Experimental Verification

Steel-plate composite (SC) structures have been used to expedite construction of the third generation of nuclear power plants, for example, consider AP1000® and US-APWR®, both of which use SC walls for the primary and secondary shield walls within the containment internal structures (CIS). Additionally, AP1000® uses an SC shield building outside of the steel containment vessel to provide radiation shielding, earthquake resistance, and aircraft impact resistance.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Role of Sulfhydryl Sites on Bacterial Cell Walls in the Biosorption, Mobility and Bioavailability of Mercury and Uranium

Bacteria are ubiquitous in a wide-range of low temperature aqueous systems, and can strongly affect the distribution and transport of metals and radionuclides in the environment. However, the role of metal adsorption onto bacteria, via the reactive cell wall functional groups, has been largely overlooked. Previous macroscale metal sorption, and XAS studies have shown that carboxyl and phosphoryl functional groups to be the important metal binding groups on bacterial cell walls and the sulfhydryl groups were not considered. The goal of our investigation was to evaluate the density of the sulfhydryl sites on different bacterial cell membranes that are common to soil systems, the binding affinities of these reactive groups towards Hg, and how this binding modifies the speciation of Hg in the natural waters.

54 ENVIRONMENTAL SCIENCES↗

University of Maryland Wall Washer Retrofit - LED Modules Replace Halogen Lamps in a Performing Arts Center

The University of Maryland (UMD) began retrofitting halogen wall washers in the Clarice Smith Performing Arts Center (CSPAC) in April 2014. The U.S. Department of Energy (DOE) Solid-State Lighting (SSL) GATEWAY program documented this process through the final installation in March 2015, summarized in this report. The wall washers illuminate hallways lining the atrium, providing task illuminance for transitioning between spaces and visual interest to the atrium boundaries. The main goals of the retrofit were to maintain the visual appearance of the space while reducing maintenance costs – energy savings was considered an additional benefit by UMD Facilities Management. UMD Facilities Management is pleased with the results of this retrofit, and continues to initiate LED retrofit projects across the UMD campus.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Enrichment Meter Dataset from High-Resolution Gamma Spectroscopy Measurements of U3O8 Enrichment Standards and UF6 Cylinder Wall Equivalents

The Enrichment Meter Principle (EMP) is the basis for a commonly used standard test method for the non-destructive assay of 235 U enrichment in bulk compounds [1]. The technique involves determining the net count rate in the direct 186 keV peak using medium or high energy gamma-ray spectrometry in a fixed geometry. With suitable correction for wall attenuation, compound type, rate loss (live time), and peaked background (if significant), the atom fraction of 235 U may be obtained from the counting rate from a linear relationship through the origin. The widespread use of this method for field verification of enrichment [2,3] together with the fact that the response function rests on fundamental physics considerations (i.e., is not represented by a convenient but arbitrary form) makes it an interesting example of uncertainty quantification, one in which one can expect a valid measurement model can be applied. When applied using NaI(Tl) and region of interest analysis, the technique is susceptible to both interference error and bias [2-4]. When implemented using high-resolution gamma-ray spectroscopy, the spectrum interpretation is considerable simplified and more robust [5]. However, a practical challenge to studying the uncertainty budget of the EMP method (for example, to test linearity, extract wall corrections and so forth using modern methods) is the availability of quality experimental data that can be referenced and shared. To fill this gap, the research team undertook an experimental campaign [6]. A measurement campaign was conducted to produce high-resolution gamma spectroscopy enrichment meter data comparable to UF 6 cylinder measurements. The purpose of this report is to provide both an introduction to and quality assurance (QA) of the raw data produced. This report is intended for the analyst or researcher who uses the raw data. Unfortunately, the raw data (i.e., the spectra files) are too voluminous to include in this report but can be requested from Steven Croft of the Safeguards & Security Technology Group (scroft@ornl.gov 865-241-2834). The complete processed data are tabulated in Appendix A. The analysis techniques used to produce the QA data presented in this report [e.g., three regions-ofinterest (ROI) peak extraction and batch analysis processes] are not the most sophisticated techniques available; analysts are encouraged to reanalyze the raw data using more sensitive techniques and to improve upon the results presented here. With that being said, the analysis techniques used here are more than adequate to present and inspect the quality of the data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

PNNL Report on the Development of Bench-scale CFD Simulations for Gas Absorption across a Wetted Wall Column

This report is prepared for the demonstration of hierarchical prediction of carbon capture efficiency of a solvent-based absorption column. A computational fluid dynamics (CFD) model is first developed to simulate the core phenomena of solvent-based carbon capture, i.e., the CO 2 physical absorption and chemical reaction, on a simplified geometry of wetted wall column (WWC) at bench scale. Aqueous solutions of ethanolamine (MEA) are commonly selected as a CO 2 stream scrubbing liquid. CO 2 is captured by both physical and chemical absorption using highly CO 2 soluble and reactive solvent, MEA, during the scrubbing process. In order to provide confidence bound on the computational predictions of this complex engineering system, a hierarchical calibration and validation framework is proposed. The overall goal of this effort is to provide a mechanism-based predictive framework with confidence bound for overall mass transfer coefficient of the wetted wall column (WWC) with statistical analyses of the corresponding WWC experiments with increasing physical complexity.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗