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At least 55 records · Page 3

The structure of the β-barrel assembly machinery complex

β-Barrel outer membrane proteins (OMPs) are found in the outer membranes of Gram-negative bacteria and are essential for nutrient import, signaling, and adhesion. A 200-kilodalton five-component complex called the β-barrel assembly machinery (BAM) complex has been implicated in the biogenesis of OMPs. In this paper, we report the structure of the BAM complex from Escherichia coli, revealing that binding of BamCDE modulates the conformation of BamA, the central component, which may serve to regulate the BAM complex. The periplasmic domain of BamA was in a closed state that prevents access to the barrel lumen, which indicates substrate OMPs may not be threaded through the barrel during biogenesis. Finally and further, conformational shifts in the barrel domain lead to opening of the exit pore and rearrangement at the lateral gate.

59 BASIC BIOLOGICAL SCIENCES↗

Aspects of Assessment of Packages with Wood Filled Impact Limiters during Fire Tests - 17191

Packages for the transport of radioactive material are often equipped with impact limiters consisting of wood, encapsulated by steel sheets. These impact limiters shall ensure that the transport casks meet the mechanical and thermal IAEA regulatory test requirements. According to the accident conditions of transport it is mandatory to expose the specimens to a cumulative effect by mechanical and thermal impacts. The mechanical tests consist of a free drop from 9 m onto a flat unyielding target and a 1 m drop onto a puncture bar. After damage caused by mechanical test sequences the package has to withstand a severe fire scenario. Corresponding to the IAEA advisory material it is required that the impact attitudes for the 9 m drop test and for the puncture test have to be such as to produce maximum damage, taking into account the thermal test. Moreover, any damage, which would give rise to increased radiation or loss of containment or affect the confinement system after the thermal test, should be considered. During and following the thermal test, the specimen shall not be artificially cooled and any combustion of materials of the package shall be permitted to proceed naturally. Different works from the French Institute for Radiological Protection and Nuclear Safety (IRSN) and BAM show that additional energy supply from a pre-damaged impact limiter to the cask could occur. This effect should be considered within the safety assessment of the containment. Thermal effects at the closure system of the cask, which might result in an elevated activity release, have to be excluded. BAM conducted small scale tests with wood filled metal buckets showing continuing combustion processes during the cooling down phase. These test results are presented. As not much is known about smouldering processes in wood filled impact limiters, it is highly complex to define pre-damage of impact limiters, which are conservative, regarding the maximum damaging energy flow from the impact limiter to the containment system. More research has to be done to develop models to examine the effects of smouldering impact limiters on the containment of packages for the transport of radioactive material. Aspects of assessment and its difficulties are shown. BAM as a competent authority for the approval of transport casks for radioactive material in Germany operates the test facilities to examine the issue of mechanical damage, combustion and heat transfer for such kind of package systems. For this purpose, the knowledge from real drop tests with casks of a mass partly over 100 tons was transferred to a test application. A thermal test will take place with a wood filled test specimen with a diameter of about 2.3 meters. The aim is to understand the phenomena of smouldering under the consideration of relevant regulatory boundary conditions. The process of smouldering is described with regard to the requirements in the thermal assessment of safety of packages for the transport of radioactive material. Requirements concerning the pre-damage of packages for the maximum damage of impact limiters are discussed. Parameters influencing the smouldering process are identified. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Standards and Guidelines for the Design of Trunnions of RAM Transport Packages - 17365

Trunnion systems of packages for the transport of radioactive materials have to guarantee the safe handling of package during crane operations (lifting, tilting) and to secure package tie down to the transport vehicle, if the trunnions are used as attachment points during transport. The design of trunnions is based on IAEA Regulations SSR-6, the supporting Advisory Material SSG-26 and further appropriate technical standards and/or guidelines. For package approval procedures in Germany the guideline BAM-GGR 012 has to be applied. If a package is handled inside a german nuclear power plant, the standard KTA 3905 has to be fulfilled additionally. In this paper the requirements of KTA 3905 [4] concerning the trunnion systems as load attaching points (LAP) are discussed in connection with the recommendations in the guideline BAM-GGR 012 [3]. This guideline is prepared at BAM Federal Institute for Materials Research and Testing for analysis and assessment of bolted lid and trunnion systems of Type B(U) transport packages. The quality assurance questions concerning trunnion systems are discussed as well. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The Pseudoenzyme β‐Amylase9 From Arabidopsis Activates α‐Amylase3: A Possible Mechanism to Promote Stress‐Induced Starch Degradation

ABSTRACT Starch accumulation in plants provides carbon for nighttime use, for regrowth after periods of dormancy, and for times of stress. Both ɑ‐ and β‐amylases (AMYs and BAMs, respectively) catalyze starch hydrolysis, but their functional roles are unclear. Moreover, the presence of catalytically inactive amylases that show starch excess phenotypes when deleted presents questions on how starch degradation is regulated. Plants lacking one of these catalytically inactive β‐amylases, BAM9, have enhanced starch accumulation when combined with mutations in BAM1 and BAM3, the primary starch degrading BAMs in response to stress and at night, respectively. BAM9 has been reported to be transcriptionally induced by stress although the mechanism for BAM9 function is unclear. From yeast two‐hybrid experiments, we identified the plastid‐localized AMY3 as a potential interaction partner for BAM9. We found that BAM9 interacted with AMY3 in vitro and that BAM9 enhances AMY3 activity about three‐fold. Modeling of the AMY3‐BAM9 complex predicted a previously undescribed alpha–alpha hairpin in AMY3 that could serve as a potential interaction site. Additionally, AMY3 lacking the alpha–alpha hairpin is unaffected by BAM9. Structural analysis of AMY3 showed that it can form a homodimer in solution and that BAM9 appears to replace one of the AMY3 monomers to form a heterodimer. The presence of both BAM9 and AMY3 in many vascular plant lineages, along with model‐based evidence that they heterodimerize, suggests that the interaction is conserved. Collectively these data suggest that BAM9 is a pseudoamylase that activates AMY3 in response to cellular stress, possibly facilitating stress recovery.

Biochemistry & Molecular Biology↗

Mössbauer Analysis and Cation Distribution of Zn Substituted BaFe{sub 12}O{sub 19} Hexaferrites

Barium hexaferrite is a well-known hard magnetic material. Doping using nonmagnetic cation such as Zn{sup 2+} were found to enhance magnetization owing to preferential tetrahedral site (4 f{sub 1}) occupancy of the zinc. However, the distribution of cations in hexaferrites depends on many factors such as the method of preparation, nature of the cation, and chemical composition. Here, Zn-doped barium hexaferrites (Ba{sub 1−x}Zn{sub x}Fe{sub 12}O{sub 19}) were synthesized by sol-gel method. In this study, we summarized the magnetic properties of Ba{sub 1−x}Zn{sub x}Fe{sub 12}O{sub 19} (x = 0, 0.1, 0.2, 0.3) BaM, investigated by Mössbauer spectroscopy. Moreover, cation distribution was also calculated for all the products. Mössbauer parameters were determined from 57Fe Mössbauer spectroscopy and according to it, the replacement of Ba-Zn affects all parameters such as isomer shift, the variation in line width, hyperfine magnetic field, and quadrupole splitting. Cation distribution revealed the relative area of undoped BaM, 12k, 2a, and 4 f{sub 2} positions which are close to theoretical values.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Considering interplay between multiple physical phenomena to elucidate single crystal-like texture, phase transformations, and mechanical behavior of directed energy deposited SS316L

A widespread implementation of large scale additive manufacturing (AM) processes, such as wire arc-directed energy deposition (WA-DED) AM can transform the current manufacturing supply chain networks. Naturally, such implementation requires control of the microstructural attributes, such as texture and phase evolution in the processed alloys. Currently, the texture evolution in fusion-based AM (F-BAM) processes is majorly rationalized by the phenomena occurring only during solidification. However, such rationalization is insufficient for understanding the evolution of primary and secondary crystallographic orientations, and consequently, fails to offer a comprehensive understanding and control of overall texture in F-BAM processed alloys. To this end, we report a single crystal (SX)-like texture in WA-DED processed SS316L for the first time. Furthermore, we assess the physical phenomena that may lead to such unique microstructural evolution during WA-DED AM. Subsequently, using microstructural characterization spanning the build height and thermomechanical simulations we investigate the effect of competitive growth and epitaxial growth occurring during solidification and thermally induced plastic deformation occurring post solidification on the overall texture of WA-DED processed SS316L. A spatial variation in solidification pathway is also established and correlated with variation in undercoolings across the build. Tensile tests revealed a strong orientation dependence of deformation mechanisms with over 110% elongation to failure of specimens deformed along <011>. Such anisotropy is rationalized using Schmid's analysis of dislocation slip and deformation twinning. Importantly, overall, the mechanisms outlined in this work will facilitate an enhanced understanding and subsequent control of texture evolution, solidification behavior and mechanical behavior of WA-DED processed steels.

36 MATERIALS SCIENCE↗

Ternary Phosphides Ba M 2 P 2 : Tailoring Crystal and Electronic Structures Enables Highly Efficient HER Electrocatalysis

Binary transition metal phosphides and their solid solutions have emerged as promising hydrogen evolution reaction (HER) catalysts. Although many research endeavors have adopted strategies to vary compositions to optimize catalytic performance, they mainly focus on binary structures, which represent only a small fraction of the abundant phase space of structure types among transition metal phosphides. Here, the largely unexplored class of ternary and multinary ordered phosphides in catalysis comprises two or more metals with quite different chemical nature, concealing the structure–property relationships essential for advancing catalyst design. Here, we explored phosphides crystallizing in one of the most abundant ordered intermetallic structure types, —the ThCr 2 Si 2 type, —where square nets of 3d transition metal M and P atoms are separated by layers of electropositive Ba cations. Four ternary BaM 2 P 2 (M = Fe, Fe/Cu, Fe/Ni, Ni) catalysts were synthesized and characterized. BaNi 2 P 2 showed high HER activity in acidic electrolyte, which required an overpotential, η 10 , of only 62 mV to drive current density j = –10 mA/cm 2 and high stability with a potential drop rate of 0.25 mV/h. BaNi 2 P 2 outperformed other Ni-based catalysts, such as Ni 2 P and Ni 5 P 4 . Notably, at current densities above –170 mA/cm 2 , BaNi 2 P 2 outperformed the standard Pt electrode measured under identical conditions. Electronic structure analysis revealed a volcano-type activity trend among the four BaM 2 P 2 catalysts based on their d-band center positions, highlighting the role of electropositive Ba cations in shifting the Ni-3d orbitals into an optimal position.

BaNi2P2↗

Evidence for Coupling Between the Subseasonal Oscillations in the Southern Hemisphere Midlatitude Ocean and Atmosphere

Abstract A regional perspective is taken to investigate the intriguing ∼25‐day periodicity in the Southern Hemisphere (SH) baroclinic annular mode (BAM) and the possible underlying mechanisms. Results show that the 25‐day periodicity exists not only in the zonal average but also in the regional average of eddy activity as long as the domain of the average is wide enough to accommodate a wave packet. The favorable domain for the ∼25 days periodicity is located downstream of the largest baroclinicity in midlatitudes. The wave activity developed there can travel circumglobally several times with a typical group velocity of 25 m s −1 , and reenter the domain every 12.5 days, setting the base periodicity. A slower oceanic oscillation at a time scale of ∼100 days in the same region appears to select and reinforce the multiples of 12.5 days, giving rise to a pronounced ∼25‐day periodicity in the wave activity.

Xue, Daokai↗

Self-assembly of diblock co-polymers at air-water interface: A microscopy and x-ray scattering study

The spontaneous surface aggregation of diblock copolymer, containing polystyrene-polydimethylsiloxane or PS-PDMS, have been studied at air-water interface using Brewster’s angle microscopy (BAM) and grazing incidence small angle x-ray scattering (GISAXS) technique. Pronounced differences in the molecular weight and solvent dependence of the size of aggregation on the water surface are observed. Structural characterization is done using atomic force microscopy (AFM) for a monolayer transferred to Si substrate. It shows that, individual polymer chains coalesce to form some disc like micelle aggregation on the Si surface which is also evident from the BAM image of the water floated monolayer. GISAXS study is also corroborating the same result.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Visible emission spectra of thermographic phosphors under x-ray excitation

Thermographic phosphors have been employed for temperature sensing in challenging environments, such as on surfaces or within solid samples exposed to dynamic heating, because of the high temporal and spatial resolution that can be achieved using this approach. Typically, UV light sources are employed to induce temperature-sensitive spectral responses from the phosphors. However, it would be beneficial to explore x-rays as an alternate excitation source to facilitate simultaneous x-ray imaging of material deformation and temperature of heated samples and to reduce UV absorption within solid samples being investigated. Here, the phosphors BaMgAl 10 O 17 :Eu (BAM), Y 2 SiO 5 :Ce, YAG:Dy, La 2 O 2 S:Eu, ZnGa 2 O 4 :Mn, Mg 3 F 2 GeO 4 :Mn, Gd 2 O 2 S:Tb, and ZnO were excited using incident synchrotron x-ray radiation. These materials were chosen to include conventional thermographic phosphors as well as x-ray scintillators (with crossover between these two categories). X-ray-induced thermographic behavior was explored through the measurement of visible spectral response with varying temperature. The incident x-rays were observed to excite the same electronic energy level transitions in these phosphors as UV excitation. Similar shifts in the spectral response of BAM, Y 2 SiO 5 :Ce, YAG:Dy, La 2 O 2 S:Eu, ZnGa 2 O 4 :Mn, Mg 3 F 2 GeO 4 :Mn, and Gd 2 O 2 S:Tb were observed when compared to their response to UV excitation found in literature. Some phosphors were observed to thermally quench in the temperature ranges tested here, while the response from others did not rise above background noise levels. This may be attributed to the increased probability of non-radiative energy release from these phosphors due to the high energy of the incident x-rays. These results indicate that x-rays can serve as a viable excitation source for phosphor thermometry.

42 ENGINEERING↗

The Second Wind Forecast Improvement Project (WFIP 2): General Overview

In 2015 the U.S. Department of Energy initiated a four-year study, the second Wind Forecast Improvement Project (WFIP 2), to improve the representation of boundary-layer physics and related processes in mesoscale models for better wind and wind power forecasts. This goal challenges numerical weather prediction models in complex terrain due to inherent assumptions underlying their boundary-layer parameterizations. The WFIP 2 effort involved the wind industry, universities, NOAA, and DOE's national laboratories in an integrated observational and modeling study. Observations spanned 18-months to assure a full annual cycle of continuously recorded observations from remote-sensing and in situ measurement systems. The study area comprised the Columbia Basin of eastern Washington and Oregon, containing more than 4 GW of installed wind capacity; nests of observational systems captured important atmospheric scales from mesoscale to NWP sub-grid scale. Model improvements targeted NOAA's High-Resolution Rapid Refresh (HRRR) model to facilitate transfer of improvements to NWS operational forecast models. This paper describes the general WFIP 2 scope and objectives, the particular scientific challenges of improving wind forecasts in complex terrain, early successes of the project, and an integrated approach to archiving observations and model output. It provides an introduction for a set of more detailed BAMS papers addressing WFIP 2 observational science, modeling challenges and solutions, practical transfer of boundary layer advances to industry use, and advances in coupling improved mesoscale models to microscale models that can represent interactions between wind plants and the atmosphere.

WFIP2, boundary layer, complex terrain, forecastin↗

An Independent Assessment of Anthropogenic Attribution Statements for Recent Extreme Temperature and Rainfall Events

The annual "State of the Climate" report, published in the Bulletin of the American Meteorological Society (BAMS), has included a supplement since 2011 composed of brief analyses of the human influence on recent major extreme weather events. There are now several dozen extreme weather events examined in these supplements, but these studies have all differed in their data sources as well as their approaches to defining the events, analyzing the events, and the consideration of the role of anthropogenic emissions. This study reexamines most of these events using a single analytical approach and a single set of climate model and observational data sources. In response to recent studies recommending the importance of using multiple methods for extreme weather event attribution, results are compared from these analyses to those reported in the BAMS supplements collectively, with the aim of characterizing the degree to which the lack of a common methodological framework may or may not influence overall conclusions. Results are broadly similar to those reported earlier for extreme temperature events but disagree for a number of extreme precipitation events. Based on this, it is advised that the lack of comprehensive uncertainty analysis in recent extreme weather attribution studies is important and should be considered when interpreting results, but as yet it has not introduced a systematic bias across these studies.

54 ENVIRONMENTAL SCIENCES↗

A large-scale benchmarking of deterministic and stochastic derivative-free optimization algorithms

This presentation summarizes our work in the PrOMMiS project on benchmarking of data-driven optimization algorithms and their applications in self-driving laboratories. This work supports the broader project goal of accelerating the identification of promising separation methods and operating conditions for critical minerals separation processes. We present a systematic benchmarking study of 42 data-driven optimization algorithms on a broad collection of 502 test problems. The results identify BAM, GLCCLUSTER, and MULTIMIN as the most effective optimization solvers, with BAM showing the highest overall performance and solving more than 80% of the benchmark problems. The study also shows that no single solver consistently outperforms the others across all problem types, indicating that our future laboratory applications may benefit from using a small set of strong solvers rather than relying on a single method. The presentation also illustrates an in-silico chemical reactor case study showing that data-driven optimization methods can guide autonomous experimentation in a self-driving laboratory and identify optimal operating conditions within a small number of experiments. Overall, the results provide a basis for selecting efficient optimization methods and demonstrate the practical use of data-driven optimization in self-driving laboratory workflows.

36 MATERIALS SCIENCE↗

Algorithm-guided experimentation for autonomous AI systems in self-driving laboratories

This presentation summarizes our work in the PrOMMiS project on benchmarking of data-driven optimization algorithms and their applications in self-driving laboratories. This work supports the broader project goal of accelerating the identification of promising separation methods and operating conditions for critical minerals separation processes. We present a systematic benchmarking study of 42 data-driven optimization algorithms on a broad collection of 502 test problems. The results identify BAM, GLCCLUSTER, and MULTIMIN as the most effective optimization solvers, with BAM showing the highest overall performance and solving more than 80% of the benchmark problems. The study also shows that no single solver consistently outperforms the others across all problem types, indicating that our future laboratory applications may benefit from using a small set of strong solvers rather than relying on a single method. The presentation also illustrates an in-silico chemical reactor case study showing that data-driven optimization methods can guide autonomous experimentation in a self-driving laboratory and identify optimal operating conditions within a small number of experiments. Overall, the results provide a basis for selecting efficient optimization methods and demonstrate the practical use of data-driven optimization in self-driving laboratory workflows.

36 MATERIALS SCIENCE↗

Tissue-engineered human bioartificial muscles expressing a foreign recombinant protein for gene therapy

Murine skeletal muscle cells transduced with foreign genes and tissue engineered in vitro into bioartificial muscles (BAMs) are capable of long-term delivery of soluble growth factors when implanted into syngeneic mice (Vandenburgh et al., 1996b). With the goal of developing a therapeutic cell-based protein delivery system for humans, similar genetic tissue-engineering techniques were designed for human skeletal muscle stem cells. Stem cell myoblasts were isolated, cloned, and expanded in vitro from biopsied healthy adult (mean age, 42 +/- 2 years), and elderly congestive heart failure patient (mean age, 76 +/- 1 years) skeletal muscle. Total cell yield varied widely between biopsies (50 to 672 per 100 mg of tissue, N = 10), but was not significantly different between the two patient groups. Percent myoblasts per biopsy (73 +/- 6%), number of myoblast doublings prior to senescence in vitro (37 +/- 2), and myoblast doubling time (27 +/- 1 hr) were also not significantly different between the two patient groups. Fusion kinetics of the myoblasts were similar for the two groups after 20-22 doublings (74 +/- 2% myoblast fusion) when the biopsy samples had been expanded to 1 to 2 billion muscle cells, a number acceptable for human gene therapy use. The myoblasts from the two groups could be equally transduced ex vivo with replication-deficient retroviral expression vectors to secrete 0.5 to 2 microg of a foreign protein (recombinant human growth hormone, rhGH)/10(6) cells/day, and tissue engineered into human BAMs containing parallel arrays of differentiated, postmitotic myofibers. This work suggests that autologous human skeletal myoblasts from a potential patient population can be isolated, genetically modified to secrete foreign proteins, and tissue engineered into implantable living protein secretory devices for therapeutic use.

Non-NASA Center↗

Structure and Dynamics of Interfaces: Drops and Films

We aim to acquire measurements of the structure and dynamics of certain liquid-fluid interfaces using an ensemble of techniques in collaboration: (1) Total internal reflection (TIR) Surface light scattering spectroscopy (SLSS), (2) Brewster angle microscopy (BAM), and (3) Drop-shape analysis. SLSS and BAM can be done on a shared interfacial footprint. Results using a 50-50 mixture of pentane-isohexane, which extends the range of NASA's Confined Vapor Bubble (CVB) experiment, yield surface tension results that differ from the expected Langmuir Fit. These results were confirmed using both the SLSS and drop-shape analysis approaches.

pentane-isohexane mixture↗

TPSAS-NF1676L-20735-DND

Higher than normal accuracy is required to rigorously observe decadal climate change. But what level is needed? How can this be quantified? This presentation will summarize a new more rigorous and quantitative approach to determining the required accuracy for climate change observations (Wielicki et al., 2013, BAMS). Most current global satellite observations cannot meet this accuracy level. A proposed new satellite mission to resolve this challenge is CLARREO (Climate Absolute Radiance and Refractivity Observatory). CLARREO is designed to achieve advances of a factor of 10 for reflected solar spectra and a factor of 3 to 5 for thermal infrared spectra (Wielicki et al., Oct. 2013 BAMS). The CLARREO spectrometers are designed to serve as SI traceable benchmarks for the Global Satellite Intercalibration System (GSICS) and to greatly improve the utility of a wide range of LEO and GEO infrared and reflected solar passive satellite sensors for climate change observations (e.g. CERES, MODIS, VIIIRS, CrIS, IASI, Landsat, SPOT, etc). Providing more accurate decadal change trends can in turn lead to more rapid narrowing of key climate science uncertainties such as cloud feedback and climate sensitivity. A study has been carried out to quantify the economic benefits of such an advance as part of a rigorous and complete climate observing system. The study concludes that the economic value is ~ $12 Trillion U.S. dollars in Net Present Value for a nominal discount rate of 3% (Cooke et al. 2013, J. Env. Sys. Dec.). A brief summary of these two studies and their implications for the future of climate science will be presented.

Bruce Wielicki↗

First Measurements of Ambient PM2.5 in Kinshasa, Democratic Republic of Congo and Brazzaville, Republic of Congo Using Field-calibrated Low-cost Sensors

Estimates of air pollution mortality in sub-Saharan Africa are limited by a lack of surface observations of fine particulate matter (PM2.5). Despite being large metropolises, Kinshasa, Democratic Republic of the Congo (DRC), population 14.3 million, and Brazzaville, Republic of the Congo (ROC), population 2.4 million, have no reference air pollution monitors at the time of writing. Recently, a few reference monitors have been deployed in other parts of sub-Saharan Africa, including Kampala, Uganda. A low-cost PurpleAir PM2.5 monitor was collocated next to the Kampala US Embassy BAM-1020 (Met One Beta Attenuation Monitor) starting in August 2019. Raw PurpleAir data are strongly correlated with the BAM (r(exp 2) = 0.88), but have a mean absolute error of approximately 14 μg/cu.m. Two calibration models, multiple linear regression and a random forest approach, decrease mean absolute error (MAE) from 14.3 μg/cu.m to 3.4 µg/cu.m or less and improve the the r(exp 2) from 0.88 to 0.96. Given )the similarity in climate and emissions in Kampala, we apply the collocated field correction factors to four PurpleAir sensors in Kinshasa, DRC and one in neighboring Brazzaville, ROC deployed beginning April 2018. Annual average PM2.5 for 2019 in Kinshasa is estimated at 43.5 µg/cu.m, more than 4 times higher than WHO Interim Target 1 of 10 µg/cu.m. Surface PM2.5 and aerosol optical depth were each about 40% lower during the 2020 COVID19 lockdown period compared to the same time period in 2019, which cannot be explained by changes in meteorology or wildfire emissions alone. Our results highlight the need for clean air solutions implementation in the Congo.

Celeste McFarlane↗