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At least 1,099 records · Page 61

Modification of the Surface of Nickel by the Femtosecond Laser Pulses

Experimental results of the formation of a periodic submicron structure on the surface of polycrystalline nickel (Ni) under laser irradiation in air and in a liquid medium (distilled water) are presented. The geometry of the formed surface structures is determined by electron-microscopy methods. When irradiated in air, the structure is formed above the base surface of the sample, and when irradiated in the liquid, it is formed below the base surface. The dimensions of the pure Ni nanoparticles formed during laser ablation of the nickel sample in the liquid were determined.

36 MATERIALS SCIENCE↗

pnnl/brain_ohsu

Light sheet microscopy has made possible the 3D imaging of both fixed and live biological tissue, with samples as large as the entire mouse brain. We fine-tuned an existing model, TrailMap, using expert labeled data from axonal structures in neocortex. Without changing the network architecture, we implemented nnU-Net framework modifications in data augmentation, data foreground sampling, window learning rate, and the inference overlap method. The resulting model from these combined approaches yielded an improved F1 score

Oostrom, Marjolein↗

A Synchronized Sensor Array for Remote Monitoring of Avian and Bat Interactions with Offshore Renewable Energy Facilities

Wind energy production in the U.S. is projected to increase to 35% of our nation’s energy by 2050. This substantial increase in the U.S. is only a portion of the global wind industry growth, as many countries strive to reduce greenhouse gas emissions. A major environmental concern and potential market barrier for expansion of wind energy is bird and bat mortality from impacts with turbine blades, towers, and nacelles. Carcass surveys are the standard protocol for quantifying mortality at onshore sites. This method is imperfect, however, due to survey frequency at remote sites, removal of carcasses by scavengers between surveys, searcher efficiency, and other biases as well as delays of days to weeks or more in obtaining information on collision events. Furthermore, carcass surveys are not feasible at offshore wind energy sites. Near-real-time detection and quantification of interaction rates is possible at both onshore and offshore wind facilities using an onboard, integrated sensor package with data transmitted to central processing centers. We developed and experimentally tested an array of sensors that continuously monitors for interactions (including impacts) of birds and bats with wind turbines. The synchronized array includes three sensor nodes: (1) vibration (accelerometers and contact microphones), (2) optical (visual and infrared spectrum cameras), and (3) bioacoustics (acoustic and ultrasonic microphones). Accelerometers and contact acoustic microphones are placed at the root of each blade to detect impact vibrations and sound waves propagating through the structure. On-board data processing algorithms using wavelet analysis detect impact signals exceeding background vibration. Stereo-visual and infrared cameras were placed on the nacelle to allow target tracking, distance, and size calculations. On-board image processing and target detection algorithms identify moving targets within the camera field of view. Bioacoustic recorders monitor vocalizations and echolocations to aid in identifying organisms involved in interactions. Data from all sensors are temporarily stored in ring (i.e., circular) buffers with a duration varying by sensor type. Detection of target presence or impact by any of the sensors can trigger the archiving of data from all buffers for transmission to a central data processing center for evaluation and post-processing. This mitigates the risk of “data mortgages” posed by continual recording and minimizes personnel time required to manually review event data. We first conducted individual component tests at laboratories and field sites in Corvallis and Newport, Oregon, and Seattle and Sequim, Washington. We conducted additional component tests on research wind turbines at the North American Wind Research and Training Center, Mesalands Community College (MCC; General Electric 1.5 MW turbine), New Mexico, and the National Wind Technology Center, National Renewable Energy Laboratory (NREL; Controls Advanced Research Turbines 3 [CART 3] 600 kW Westinghouse turbine), Colorado. We conducted fully integrated system tests at NREL in October 2014 and April 2015. We used only research wind turbines so that we could conduct controlled, experimentally generated impacts using empty and water-filled tennis balls shot from a compressed air cannon on the ground. The approx. 57-140 g tennis balls (depending on water content) were at the upper mass range for bats, but lower mass range for marine birds. Therefore, the ability to detect collisions of most seabirds is likely greater than our experiments demonstrate, but possibly lower for some bats depending on the background signal of a given turbine. Vibration data demonstrated that background signals of operating turbines varied markedly among the CART 3 under normal operation (greatest), GE (moderate), and CART 3 during idle rotation (generator not engaged; least). In total, we measured 63 experimental blade impacts on the two research turbines. Impaction detection was dependent on background signals, position of impact on the blade (a tip strike resulted in the strongest impact signal), and impact kinetics (velocity of ball and whether the ball struck the surface of the blade or the leading edge of the blade struck the ball). Overall detection percentage ranged from 100% for the “quietest” conditions (CART 3 idle rotation), down to 35% for the noisiest (CART 3 normal operation). Impact signals were detected from sensors on more than one blade (i.e., blades other than the blade struck) 50% - 75% of the time. Stereo imaging provided valuable metrics, but increased data processing and equipment cost. Given the cost of cameras with sufficient resolution for target identification, we suggest mounting cameras directly on the blades to continuously view the entire rotor swept area with the fewest number of cameras. Bioacoustic microphones provide taxonomic identification, as well as information on ambient noise levels. They also assist in identifying environmental conditions such as hail storms, high winds, thunder, lightning, etc., that may contribute to a collision or a false positive detection. We demonstrated a proof of concept for an integrated sensor array to detect and identify bird and bat collisions with wind turbines. The next phase of research and development for this system will miniaturize and integrate sensors from all three nodes into a single wireless package that can be attached directly to the blade. This next generation system would use all “smart” sensors capable of onboard data processing to drastically reduce data streams and processing time on a central computer. A provisional patent for the blade mounted system was submitted by Oregon State University and recorded by the U.S. Patent and Trademark Office (application no. 62313028). Eventually, technology and industry advances will allow this low cost monitoring system to be designed into materials during manufacturing so that all turbines could be monitored with either a subset or full suite of sensors. As standard equipment on all commercial turbines, the sensor suite would allow the industry to effectively monitor whether individual turbines were causing mortalities or not and under what circumstances. It would also provide real-time evaluation of mechanical and structural integrity of a turbine via vibration, image, and acoustic data streams, thereby permitting modifications in operation to limit environmental or mechanical damage.

17 WIND ENERGY↗

Late-time growth weakly affects the significance of high-redshift massive galaxies

Recent observations by the James Webb Space Telescope have revealed massive galaxies at very high redshift ( z ≃ 7 − 15 ). The question of whether the existence of such galaxies is expected in the corresponding JWST surveys has received a lot of attention, though the answer straddles areas of cosmology and complex astrophysical details of high-redshift galaxy formation. The growth rate of density fluctuations determines the amplitude of overdensities that collapse to form galaxies. Late-time modifications of growth, combined with measurements at both z ∼ 1 from large-scale structure and z ∼ 1000 from the cosmic microwave background, affect the predictions for the abundance of first galaxies in the universe. In this paper, we point out that the late-time growth rate of structure affects the statistical significance of high-redshift, high-mass objects very weakly. Consequently, if the existence and abundance of these objects are confirmed to be unexpected, the variations in the late-time growth history are unlikely to explain these anomalies.

Xia, Qianran↗

High conductivity magnesium alloy

A castable, moldable, or extrudable magnesium-based alloy that includes one or more insoluble additives. The insoluble additives can be used to enhance the mechanical properties of the structure, such as ductility and/or tensile strength. The final structure can be enhanced by heat treatment, as well as deformation processing such as extrusion, forging, or rolling, to further improve the strength of the final structure as compared to the non-enhanced structure. The magnesium-based composite has improved thermal and mechanical properties by the modification of grain boundary properties through the addition of insoluble nanoparticles to the magnesium alloys. The magnesium-based composite can have a thermal conductivity that is greater than 180 W/m-K, and/or ductility exceeding 15-20% elongation to failure.

Sherman, Andrew J.↗

High conductivity magnesium alloy

A castable, moldable, or extrudable magnesium-based alloy that includes one or more insoluble additives. The insoluble additives can be used to enhance the mechanical properties of the structure, such as ductility and/or tensile strength. The final structure can be enhanced by heat treatment, as well as deformation processing such as extrusion, forging, or rolling, to further improve the strength of the final structure as compared to the non-enhanced structure. The magnesium-based composite has improved thermal and mechanical properties by the modification of grain boundary properties through the addition of insoluble nanoparticles to the magnesium alloys. The magnesium-based composite can have a thermal conductivity that is greater than 180 W/m-K, and/or ductility exceeding 15-20% elongation to failure.

Sherman, Andrew J.↗

Structure-Guided Identification of Resistance Breaking Antimalarial N -Myristoyltransferase Inhibitors

The attachment of myristate to the N-terminal glycine of certain proteins is largely a co-translational modification catalyzed by N-myristoyltransferase (NMT), and involved in protein membrane-localization. Pathogen NMT is a validated therapeutic target in numerous infectious diseases including malaria. In Plasmodium falciparum , NMT substrates are important in essential processes including parasite gliding motility and host cell invasion. Here, we generated parasites resistant to a particular NMT inhibitor series and show that resistance in an in vitro parasite growth assay is mediated by a single amino acid substitution in the NMT substrate-binding pocket. The basis of resistance was validated and analyzed with a structure-guided approach using crystallography, in combination with enzyme activity, stability, and surface plasmon resonance assays, allowing identification of another inhibitor series unaffected by this substitution. We suggest that resistance studies incorporated early in the drug development process help selection of drug combinations to impede rapid evolution of parasite resistance.

59 BASIC BIOLOGICAL SCIENCES↗

Finite scale theory: Predicting nature’s shocks

In this paper, we describe a continuum model that accurately reproduces the experimentally measured structure of physical shocks in a perfect gas. In this work, we begin by presenting a history of shock structure research, theoretical, experimental and numerical, to quantify the significant discrepancies between Navier–Stokes predictions and laboratory measurements. In our first main result, we discuss modifications that generalize the Chapman–Enskog approximation and lead to a new continuum model termed the Finite Scale Equations. In our second main result, we use this continuum model to calculate shock structure with results comparable in accuracy to numerical simulations based on the Boltzmann equation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Cellulolytic enzyme-aided extraction of hemicellulose from switchgrass and its characteristics

The isolation of biomass components with their intact structure is integral for understanding the characteristics of biomass. Compared to other major biomass components such as cellulose and lignin, hemicellulose remains a challenging component to be isolated from the plant cell wall without significant depolymerization and modification. Here, a novel cellulolytic enzyme-aided hemicellulose (CEH) isolation method was developed to isolate hemicellulose with a near-native branched structure from switchgrass. The structural characteristics of CEH were investigated and compared with hemicelluloses isolated by conventional alkaline extracted hemicellulose (AEH) and DMSO extracted hemicellulose (DMSOH) methods. Gel permeation chromatography (GPC) analysis indicated that CEH had a weight-average molecular weight of 44 kDa, which was comparable to that of AEH (43 kDa) but higher than that of DMSOH (37 kDa). The chemical composition analysis revealed that CEH retained a higher proportion of glucuronic acid compared to AEH and DMSOH. The 2D 13 C– 1 H heteronuclear single quantum coherence (HSQC) NMR spectra containing the β-(1,4)-linked-D-xylan backbone, non-reducing-end peaks and both α- and β-reducing-end peaks in CEH were comparable to the spectra of the commercial beechwood xylan. CEH showed a highly branched hemicellulose structure, which retained methoxyl groups, O -acetyl groups, and 4- O -methyl-glucuronic acid attached to the xylan backbone.

59 BASIC BIOLOGICAL SCIENCES↗

Designing Glass and Crystalline Phases of Metal–Bis(acetamide) Networks to Promote High Optical Contrast

Owing to their high tunability and predictable structures, metal–organic materials offer a powerful platform to study glass formation and crystallization processes and to design glasses with unique properties. In this work, we report a novel series of glass-forming metal–ethylenebis(acetamide) networks that undergo reversible glass and crystallization transitions below 200 °C. The glass-transition temperatures, crystallization kinetics, and glass stability of these materials are readily tunable, either by synthetic modification or by liquid-phase blending, to form binary glasses. Pair distribution function (PDF) analysis reveals extended structural correlations in both single and binary metal–bis(acetamide) glasses and highlights the important role of metal–metal correlations during structural evolution across glass–crystal transitions. Notably, the glass and crystalline phases of a Co–ethylenebis(acetamide) binary network feature a large reflectivity contrast ratio of 4.8 that results from changes in the local coordination environment around Co centers. These results provide new insights into glass–crystal transitions in metal–organic materials and have exciting implications for optical switching, rewritable data storage, and functional glass ceramics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Intrinsic disorder in the regulatory N-terminal domain of diacylglycerol acyltransferase 1 from Brassica napus

Proteins with multifunctional regulatory domains often demonstrate structural plasticity or protein disorder, allowing the binding of multiple regulatory factors and post-translational modifications. While the importance of protein disorder is clear, it also poses a challenge for in vitro characterization. Here, we report protein intrinsic disorder in a plant molecular system, which despite its prevalence is less studied. We present a detailed biophysical characterization of the entire cytoplasmic N-terminal domain of Brassica napus diacylglycerol acyltransferase, (DGAT1), which includes an inhibitory module and allosteric binding sites. Our results demonstrate that the monomeric N-terminal domain can be stabilized for biophysical characterization and is largely intrinsically disordered in solution. This domain interacts with allosteric modulators of DGAT1, CoA and oleoyl-CoA, at micromolar concentrations. Furthermore, while solution scattering studies indicate conformational heterogeneity in the N-terminal domain of DGAT1, there is a small gain of secondary structure induced by ligand binding.

59 BASIC BIOLOGICAL SCIENCES↗

Spectroscopic characterization of Mn 2+ and Cd 2+ coordination to phosphorothioates in the conserved A9 metal site of the hammerhead ribozyme

Phosphorothioate modifications have widespread use in the field of nucleic acids. As substitution of sulfur for oxygen can alter metal coordination preferences, the phosphorothioate metal-rescue experiment is a powerful method for identifying metal coordination sites that influence specific properties in a large RNAs. The A9/G10.1 metal binding site of the hammerhead ribozyme (HHRz) has previously been shown to be functionally important through phosphorothioate rescue experiments. While an A9-S Rp substitution is inhibitory in Mg 2+ , thiophilic Cd 2+ rescues HHRz activity. Mn 2+ is also often used in phosphorothioate metal-rescue studies but does not support activity for the A9-S Rp HHRz. Here, we use EPR, electron spin-echo envelope modulation (ESEEM), and X-ray absorption spectroscopic methods to directly probe the structural consequences of Mn 2+ and Cd 2+ coordination to R p and S p phosphorothioate modifications at the A9/G10.1 site in the truncated hammerhead ribozyme (tHHRz). The results demonstrate that while Cd 2+ does indeed bind to S in the thio-substituted ligand, Mn 2+ coordinates to the non–sulfur oxo group of this phosphorothioate, regardless of isomer. Computational models demonstrate the energetic preference of Mn—O over Mn—S coordination in metal-dimethylthiophosphate models. In the case of the tHHRz, the resulting Mn 2+ coordination preference of oxygen in either R p or S p A9 phosphorothioates differentially tunes catalytic activity, with Mn—O coordination in the A9-S Rp phosphorothioate enzyme being inhibitory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Bimodal Control of Heat Transport at Graphene–Metal Interfaces Using Disorder in Graphene

Thermal energy transport across the interfaces of physically and chemically modified graphene with two metals, Al and Cu, was investigated by measuring thermal conductance using the time-domain thermoreflectance method. Graphene was processed using a He 2+ ion-beam with a Gaussian distribution or by exposure to ultraviolet/O 3 , which generates structural or chemical disorder, respectively. Hereby, we could monitor changes in the thermal conductance in response to varying degrees of disorder. We find that the measured conductance increases as the density of the physical disorder increases, but undergoes an abrupt modulation with increasing degrees of chemical modification, which decreases at first and then increases considerably. Moreover, we find that the conductance varies inverse proportionally to the average distance between the structural defects in the graphene, implying a strong in-plane influence of phonon kinetics on interfacial heat flow. We attribute the bimodal results to an interplay between the distinct effects on graphene’s vibrational modes exerted by graphene modification and by the scattering of modes.

Science & Technology - Other Topics↗

Structural basis of substrate recognition by a bacterial deubiquitinase important for dynamics of phagosome ubiquitination

Manipulation of the host’s ubiquitin network is emerging as an important strategy for counteracting and repurposing the posttranslational modification machineries of the host by pathogens. Ubiquitin E3 ligases encoded by infectious agents are well known, as are a variety of viral deubiquitinases (DUBs). Bacterial DUBs have been discovered, but little is known about the structure and mechanism underlying their ubiquitin recognition. In this report, we found that members of the Legionella pneumophila SidE effector family harbor a DUB module important for ubiquitin dynamics on the bacterial phagosome. Structural analysis of this domain alone and in complex with ubiquitin vinyl methyl ester (Ub-VME) reveals unique molecular contacts used in ubiquitin recognition. Instead of relying on the Ile44 patch of ubiquitin, as commonly used in eukaryotic counterparts, the SdeA Dub module engages Gln40 of ubiquitin. The architecture of the active-site cleft presents an open arrangement with conformational plasticity, permitting deubiquitination of three of the most abundant polyubiquitin chains, with a distinct preference for Lys63 linkages. We have shown that this preference enables efficient removal of Lys63 linkages from the phagosomal surface. Remarkably, the structure reveals by far the most parsimonious use of molecular contacts to achieve deubiquitination, with less than 1,000 Å 2 of accessible surface area buried upon complex formation with ubiquitin. In conclusion, this type of molecular recognition appears to enable dual specificity toward ubiquitin and the ubiquitin-like modifier NEDD8.

59 BASIC BIOLOGICAL SCIENCES↗

Variable-spectrum mode control of high poloidal beta discharges

DIII-D experiments demonstrate that high pressure, broad current profile equilibria can be accessed in the high poloidal beta regime by optimizing the MHD mode control poloidal spectrum. A novel, variable spectrum (VS) magnetic feedback scheme implemented using the DIII-D internal non-axisymmetric coils (I-coils) facilitated access to reduced internal inductance $l$ i operation above the no-wall beta limit compared with both no feedback and fixed spectrum feedback. In addition, the VS feedback helped avoid beta collapses caused by marginally unstable resistive wall mode activity. The lower and upper I-coil rows were configured in two independent feedback loops, allowing the feedback field's poloidal spectrum to vary and track changes in the plasma mode structure as the edge safety factor q 95 varied from 11 to 6 during the discharges. The q 95 dependence of the measured phase difference between the lower and upper I-coil rows during VS feedback is qualitatively compatible with ideal MHD simulations of the least-stable plasma kink mode and with plasma response simulations that included kinetic modifications to ideal MHD. The VS feedback approach is a straightforward way to improve resilience to variations in mode structure that occur as plasma parameters change. The demonstrated expansion of the operating space to lower $l$ i is expected to improve the coupling of the plasma kink mode to external fields and beneficial wall eddy currents, and is compatible with high bootstrap fraction operation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Lignin valorization reshapes sustainable biomass refining

As the largest natural reservoir of aromatics, lignin offers significant potential for bioproduct manufacturing through advances in valorization technologies. However, the intrinsically complex structures of lignin pose significant challenges for its fractionization and downstream valorization. Overcoming challenges in lignin chemistry modification is crucial for achieving effective lignin valorization and establishing sustainable biorefinery industries. This review explores the potential of tailoring lignin reactivity to enable functional bioproduct manufacturing thereby contributing to profitable biorefining. The intrinsic characteristics of lignin are first summarized, highlighting their roles in both fractionization and valorization. The latest progress in lignin fractionation is then presented, emphasizing their potential to tailor lignin chemistry, reactivity, and processibility. Furthermore, advancements in lignin valorization are covered, recognizing that tailored lignin reactivity is key to defining bioproduct functionality. By examining these chemical mechanisms, this review sheds on the structure-function relationships between lignin and its derived products. To address the dilemma of lignin valorization and biorefineries, a promising synergistic biorefinery is proposed. This involves redesigning biomass fractionation strategies, tailoring lignin chemistry, and upgrading both carbohydrate and lignin streams across the entire biorefinery chain—from feedstock to application. Altogether, a deeper understanding of tailored lignin chemistry is crucial for decoding the reaction mechanisms in biomass processing. A synergistic biorefinery could harness lignin's intrinsic properties to improve product functionality and address key challenges, paving the way for cost-effective, sustainable biorefinery solutions.

09 BIOMASS FUELS↗

Morphology engineering of iridium electrodes via modifying titanium substrates with controllable pillar structures for highly efficient oxygen evolution reaction

Nowadays, Ti is the well-chosen anode substrate material for proton exchange membrane electrolyzer cells (PEMECs) and modifications of the substrate surfaces are essential for the fabrication of highly efficient electrodes. Herein, we introduce the morphology engineering of Ir/Ti electrodes with different acid treatments of hydrochloric acid (HCl) and oxalic acid (OA), and the comparative benefits of these two acid treatment methods are studied from the aspects of their impacts on the morphology, interfacial contact resistance (ICR), and oxygen evolution reaction (OER) performances of resultant electrodes. Notably, compared to the flat surface from OA treatment, Ti substrates with the pillar structure could be successfully achieved via HCl etching. Further, the HCl and the oxalic acid (OA) treatments would reduce the interfacial contact resistance (ICR) to 15.2% and 5.5% of the pristine Ti substrate at 1.38 MPa, respectively. By iridium electrodeposition on Ti substrates, Ir/Ti electrodes with different catalyst loadings are fabricated. With similar low-loadings of about 0.05 mgIr cm –2 , an Ir/Ti electrode with HCl treated substrate exhibits a lower overpotential of ~283 mV at 10 mA cm –2 current density than 305 mV from OA treatment, due to the boosted reaction areas from HCl treatment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hierarchically structured MoO 2 /dopamine-derived carbon spheres as intercalation electrodes for lithium-ion batteries

A hydrogen peroxide initiated sol-gel process involving molybdenum transformation in the presence of dopamine (Dopa) hydrochloride excess produced the metastable precipitate composed of polydopamine (PDopa) spheres coated with Dopa preintercalated molybdenum oxide, (Dopa) x MoO y @PDopa. The hydrothermal treatment (HT) of the (Dopa) x MoO y @PDopa precursor resulted in the simultaneous carbonization of Dopa and molybdenum reduction generating MoO 2 nanoplatelets distributed and confined on the surface of the Dopa-derived carbon matrix (HT-MoO 2 /C). The consecutive annealing (An) of the HT-MoO 2 /C sample at 600 °C under Ar atmosphere led to the formation of MoO 2 with increased Mo oxidation state and improved structural stability (AnHT-MoO 2 /C). Annealing had also further facilitated interaction between the molybdenum-derived and Dopa-derived components resulting in the modification of the carbon matrix confirmed by Raman spectroscopy. Morphology of both materials is best described as Dopa-derived carbon spheres decorated with MoO 2 nanoplatelets. These integrated metal oxide and carbon structures were tested as electrodes for lithium-ion batteries in the potential window that corresponds to the intercalation mechanism of charge storage. The AnHT-MoO 2 /C electrode showed enhanced electrochemical activity, with an initial specific discharge capacity of 260 mAh/g and capacity retention of 67% after 50 cycles, compared to the HT-MoO 2 /C electrode which exhibited an initial specific discharge capacity of 235 mAh g –1 and capacity retention of 47% after 50 cycles. The rate capability experiments revealed that the capacity of 93 mAh/g and 120 mAh/g was delivered by the HT-MoO 2 /C and AnHT-MoO 2 /C electrodes, respectively, when the current density was increased to 100 mA/g. Here, the improved specific capacity, electrochemical stability, and rate capability achieved after annealing were attributed to higher crystallinity of MoO 2 , increased oxidation state of Mo, and formation of the tighter MoO 2 /carbon contact accompanied by the annealing assisted interaction between MoO 2 and Dopa-derived carbon.

25 ENERGY STORAGE↗