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At least 1,027 records · Page 57

The role of height–driven constraints and compensations on tree vulnerability to drought

Frequent observations of higher mortality in larger trees than in smaller ones during droughts have sparked an increasing interest in size–dependent drought–induced mortality. However, the underlying physiological mechanisms are not well understood, with height–associated hydraulic constraints often being implied as the potential mechanism driving increased drought vulnerability. Here we performed a quantitative synthesis on how key traits that drive plant water and carbon economy change with tree height within species and assessed the implications that the different constraints and compensations may have on the interacting mechanisms (hydraulic failure, carbon starvation and/or biotic–agent attacks) affecting tree vulnerability to drought. While xylem tension increases with tree height, taller trees present a range of structural and functional adjustments, including more efficient water use and transport and greater water uptake and storage capacity, that mitigate the path–length–associated drop in water potential. These adaptations allow taller trees to withstand episodic water stress. Conclusive evidence for height–dependent increased vulnerability to hydraulic failure and carbon starvation, and their coupling to defence mechanisms and pest and pathogen dynamics, is still lacking. Further research is needed, particularly at the intraspecific level, to ascertain the specific conditions and thresholds above which height hinders tree survival under drought.

54 ENVIRONMENTAL SCIENCES↗

Pore characterization of the Marcellus Shale by nitrogen adsorption and prediction of its gas storage capacity

In a shale gas reservoir, pore characterization is an important factor used to determine gas storage capacity. However, the nanometer (nm)-scale pore system in shale is difficult to explore by traditional optical, scanning electron microscopy, or even nuclear magnetic resonance well logging. We have investigated the pore structure and storage capacity of the Marcellus Shale through integration of petrophysical analysis from laboratory and well-logging data and nitrogen adsorption. The isotherm of Marcellus Shale is a composite isotherm, which has features of type I, type II, and type IV isotherms with type H4 of the hysteresis loop, suggesting slit-like pores developed in the Marcellus Shale. Quantitative analysis of pore volumes from the nitrogen adsorption indicates that density porosity may be more properly used to approximate the shale porosity and estimate the shale gas volume. In addition, the specific surface area, micropore, and mesopore volumes have a positive relationship with the kerogen volume and total organic content (TOC). By using the Langmuir and Brunauer-Emmet-Teller models, the simulated result indicates that the higher adsorbed quantity of the Marcellus Shale could be the result of the increase of micropore volume contributed, by the increase of kerogen or TOC content. The proposed equations rapidly compute TOC, a key parameter to predict gas storage capacity in overmature shale such as the Marcellus Shale.

Geochemistry & Geophysics↗

Rare variants contribute disproportionately to quantitative trait variation in yeast

How variants with different frequencies contribute to trait variation is a central question in genetics. We use a unique model system to disentangle the contributions of common and rare variants to quantitative traits. We generated ~14,000 progeny from crosses among 16 diverse yeast strains and identified thousands of quantitative trait loci (QTLs) for 38 traits. We combined our results with sequencing data for 1011 yeast isolates to show that rare variants make a disproportionate contribution to trait variation. Evolutionary analyses revealed that this contribution is driven by rare variants that arose recently, and that negative selection has shaped the relationship between variant frequency and effect size. We leveraged the structure of the crosses to resolve hundreds of QTLs to single genes. These results refine our understanding of trait variation at the population level and suggest that studies of rare variants are a fertile ground for discovery of genetic effects.

59 BASIC BIOLOGICAL SCIENCES↗

Evolved Gas Analysis–Mass Spectrometry Exposes Polymer Network Structures

Polymer network structures in epoxy thermosets play an important role in the final thermoset material properties. However, analytical characterization of these network structures is difficult due to their amorphous nature. In this work, the application of evolved gas analysis–mass spectrometry (EGA-MS) to characterize the polymer network structures of bisphenol A (BPA)-based thermosets is demonstrated. Analytical characterization of the polymer network structures is accomplished by monitoring the Product-Specific Kinetics (PSK) of BPA monomer formation during thermal degradation investigations. We relate observed differences in the activation energy (E a ) of BPA monomer formation to the local packing environment around the BPA monomer units within the polymer network. Variations in the local environment related to the polymer networks manifest qualitatively as broadening in the thermal profile of the BPA monomer evolution and quantitatively as changes in the activation energy (E a ). Three BPA thermoset formulations were investigated; two amine-cured thermoset with 4,4′-diaminodiphenylmethane (DDM) or poly(propylene glycol) bis(2-amino-propyl ether) (PPG400) and a homopolymerized thermoset via curing with Epikure 3253 catalyst (3253). Results revealed that the 3253 thermoset contained two distinct packing densities in the polymer network, while DDM and PPG400 thermosets had uniform distributions of packing densities. Results from the DDM thermoset revealed a gradually decreasing E a , while the apparent E a of PPG400 was consistent over the entire degradation. Furthermore, these differences in E a were concluded to stem from the flexibility of the corresponding polymer networks and the ability of the network components to rearrange and occupy formed voids. Due to the minimal sample required for analysis (100–200 μg), this EGA-MS technique has great potential for postproduction evaluation of composite parts to identify changes in the polymer networks from use and aging, which could signal compromised performance.

Degradation↗

Synthesis of wafer-scale SWCNT forests with remarkably invariant structural properties in a bulk-diffusion-controlled kinetic regime

Robust synthesis of vertically aligned carbon nanotubes (VACNT) at large scale is required to accelerate deployment of numerous cutting-edge devices to emerging commercial applications. To address this need, this work demonstrates that the structural characteristics of single-walled CNTs (SWCNTs) produced in a growth regime dominated by bulk diffusion of the gaseous carbon precursor are remarkably invariant over a broad range of process conditions (precursor concentration increased up to 30-fold, catalyst substrate area from 1 cm 2 to 180 cm 2 , growth pressure from 20 to 790 mbar, and gas flowrates up to 8-fold). A simple growth kinetics model is derived that accounts for both reactant bulk diffusion and competing byproduct formation in the presence of excess hydrogen, which quantitatively reproduces the experimental data in the entire isothermal parameter space. The model enables critical predictions for process scale-up optimization including a potential 6-fold increase in CNT production rate, a ~90% carbon conversion efficiency in select conditions, and elimination of reaction rate decay observed at high pressures by using a hydrogen-free growth environment. This model-guided opportunity to substantially improve synthesis throughput and efficiency, in conjunction with the remarkably invariant CNT properties, is appealing for reliable VACNT device fabrication at both small and industrial scales.

36 MATERIALS SCIENCE↗

Populating the Hydrogen Component Reliability Database (HYCRED) with Incident Data from Hydrogen Dispensing

Safety, risk, and reliability issues are vital to ensure the continuous and profitable operation of hydrogen technologies. Quantitative risk assessment (QRA) has been used to enable the safe deployment of engineering systems, especially hydrogen fueling stations. However, QRA studies require reliability data which are essential to collect to make the studies as realistic and relevant as possible. These data are currently lacking and data from other industries, such as oil and gas, are used in hydrogen system QRAs. This may lead to inaccurate results since hydrogen fueling stations have differences in physical properties, system design, and operational parameters when compared to other fueling stations, thus necessitating new data sources are necessary to capture the effects of these differences. To address this gap, we developed a structure for a hydrogen component reliability database, (HyCReD) [1], which could be used to generate reliability data to be used in QRA studies. In this paper, we demonstrate populating the HyCReD database with information extracted from new narrative reports on hydrogen fueling station incidents, specifically focused on the dispensing processes. We analyze five new events and demonstrate the feasibility of populating the database and types of meaningful insights that can be obtained at this stage.

component reliability↗

Multielectrode Array Sensors to Enable Long-Duration Corrosion Monitoring and Control of Concentrating Solar Power Systems

Molten mixtures of MgCl2-KCl-NaCl are promising heat transfer fluid (HTF) candidates for the next generation of concentrating solar power systems (Gen3 CSP), because of their low cost, high decomposition temperature, and favorable heat transfer characteristics. However, if the chemistry of the salts is not properly controlled, molten chlorides can cause corrosion of high-temperature metal alloys, such as Inconel (R), in CSP systems. Here we demonstrate a corrosion monitoring system that can be used to monitor the health of the structural alloys over long durations. The monitoring system includes a multielectrode array voltammetry sensor that measures the redox potential of molten MgCl2-KCl-NaCl mixture as well as the presence of corrosion products and impurities. The sensors have been successfully operated in static molten salt environments for long durations, and are capable of detecting corrosion products, such as Cr2+ and Fe2+, quantitatively at low concentrations (i.e., approximately 100 ppm) with less than 4% error.

Concentrated solar power↗

Atomic-scale 3D imaging of individual dopant atoms in an oxide semiconductor

The physical properties of semiconductors are controlled by chemical doping. In oxide semiconductors, small variations in the density of dopant atoms can completely change the local electric and magnetic responses caused by their strongly correlated electrons. In lightly doped systems, however, such variations are difficult to determine as quantitative 3D imaging of individual dopant atoms is a major challenge. We apply atom probe tomography to resolve the atomic sites that donors occupy in the small band gap semiconductor Er(Mn,Ti)O 3 with a nominal Ti concentration of 0.04 at. %, map their 3D lattice positions, and quantify spatial variations. Our work enables atomic-level 3D studies of structure-property relations in lightly doped complex oxides, which is crucial to understand and control emergent dopant-driven quantum phenomena.

36 MATERIALS SCIENCE↗

Deficiency in PHD2-mediated hydroxylation of HIF2α underlies Pacak-Zhuang syndrome

Pacak-Zhuang syndrome is caused by mutations in the EPAS1 gene, which encodes for one of the three hypoxia-inducible factor alpha (HIFα) paralogs HIF2α and is associated with defined but varied phenotypic presentations including neuroendocrine tumors and polycythemia. However, the mechanisms underlying the complex genotype-phenotype correlations remain incompletely understood. Here, we devised a quantitative method for determining the dissociation constant (K d ) of the HIF2α peptides containing disease-associated mutations and the catalytic domain of prolyl-hydroxylase (PHD2) using microscale thermophoresis (MST) and showed that neuroendocrine-associated Class 1 HIF2α mutants have distinctly higher K d than the exclusively polycythemia-associated Class 2 HIF2α mutants. Based on the co-crystal structure of PHD2/HIF2α peptide complex at 1.8 Å resolution, we showed that the Class 1 mutated residues are localized to the critical interface between HIF2α and PHD2, adjacent to the PHD2 active catalytic site, while Class 2 mutated residues are localized to the more flexible region of HIF2α that makes less contact with PHD2. Concordantly, Class 1 mutations were found to significantly increase HIF2α-mediated transcriptional activation in cellulo compared to Class 2 counterparts. These results reveal a structural mechanism in which the strength of the interaction between HIF2α and PHD2 is at the root of the general genotype-phenotype correlations observed in Pacak-Zhuang syndrome.

59 BASIC BIOLOGICAL SCIENCES↗

Design, characterization, and intracellular trafficking of biofunctionalized chitosan nanomicelles

The hydrophobically modified glycol chitosan (HGC) nanomicelle has received increasing attention as a promising platform for the delivery of chemotherapeutic drugs. To improve the tumor selectivity of HGC, here an avidin and biotin functionalization strategy was applied. The hydrodynamic diameter of the biotin-avidin-functionalized HGC (cy5.5-HGC-B4F) was observed to be 104.7 nm, and the surface charge was +3.1 mV. Confocal and structured illumination microscopy showed that at 0.1 mg/ml, cy5.5-HGC-B4F nanomicelles were distributed throughout the cytoplasm of MDA-MB-231 breast cancer cells after 2 h of exposure without significant cytotoxicity. To better understand the intracellular fate of the nanomicelles, entrapment studies were performed and demonstrated that some cy5.5-HGC-B4F nanomicelles were capable of escaping endocytic vesicles, likely via the proton sponge effect. Quantitative analysis of the movements of endosomes in living cells revealed that the addition of HGC greatly enhanced the motility of endosomal compartments, and the nanomicelles were transported by early and late endosomes from cell periphery to the perinuclear region. Our results validate the importance of using live-cell imaging to quantitatively assess the dynamics and mechanisms underlying the complex endocytic pathways of nanosized drug carriers.

Li, Weiyi↗

Quantitative Evaluation of CO 2 Storage Potential in the Offshore Atlantic Lower Cretaceous Strata, Southeastern United States

The geological storage of CO 2 in the Earth’s subsurface has the potential to significantly offset greenhouse gas emissions for safe, economical, and acceptable public use. Due to legal advantages and vast resource capacity, offshore CO 2 storage provides an attractive alternative to onshore options. Although offshore Lower Cretaceous reservoirs have a vast expected storage capacity, there is a limited quantitative assessment of the offshore storage resource in the southeastern United States. This work is part of the Southeast Offshore Storage Resource Assessment (SOSRA) project, which presents a high-quality potential geological repository for CO 2 in the Mid- and South Atlantic Planning Areas. This is the first comprehensive investigation and quantitative assessment of CO 2 storage potential for the Lower Cretaceous section of the outer continental shelf that includes the Southeast Georgia Embayment and most of the Blake Plateau. An interpretation of 200,000 km of legacy industrial 2D seismic reflection profiles and geophysical well logs (i.e., TRANSCO 1005-1-1, COST GE-1, and EXXON 564-1) were utilized to create structure and thickness maps for the potential reservoirs and seals. We identified and assessed three target reservoirs isolated by seals based on their effective porosity values. The CO 2 storage capacity of these reservoirs was theoretically calculated using the DOE-NETL equation for saline formations. The prospective storage resources are estimated between 450 and 4700 Mt of CO 2 , with an offshore geological efficiency factor of dolomite between 2% and 3.6% at the formation scale.

03 NATURAL GAS↗

Opportunities and Limitations of Nuclear Magnetic Resonance Spectroscopy in Astrobiology

For decades, Nuclear Magnetic Resonance (NMR) spectroscopy has been utilized as a powerful tool in various scientific disciplines, most prominently in chemistry, to determine molecular structures or monitor reactions. While well established in various fields, NMR applications in astrobiology are still unclear. This work aims to explore the potential of NMR in astrobiology, highlighting strengths but also weaknesses. We illustrate capabilities of NMR with two applications: (1) recently developed methods for position-specific carbon isotope analysis of complex organics; and (2) well-established tools for performing quantitative compositional analysis of complex organic mixtures. By utilizing samples relevant to astrobiology, specifically the amino acid valine and analogue mixtures of organics, we showcase that molecules retain a source dependent and distinct intramolecular carbon isotope fingerprint. We demonstrate that compositional sample analysis provides an independent and complementary line of evidence pointing towards the origin of a molecule or mixture. Together, these NMR tools have the potential to support life detection efforts, and aid in distinguishing between biotic and abiotic samples. Finally, we discuss sensitivity, detection limits, the portability of NMR, and propose how integration with mass-spectrometry techniques will be imperative to enable more targeted and comprehensive analyses relevant to astrobiology, including in-situ analysis but also sample return missions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Scaling of the strange-metal scattering in unconventional superconductors

Marked evolution of properties with minute changes in the doping level is a hallmark of the complex chemistry that governs copper oxide superconductivity as manifested in the celebrated superconducting domes and quantum criticality taking place at precise compositions. The strange-metal state, in which the resistivity varies linearly with temperature, has emerged as a central feature in the normal state of copper oxide superconductors. The ubiquity of this behaviour signals an intimate link between the scattering mechanism and superconductivity. However, a clear quantitative picture of the correlation has been lacking. In this study we report the observation of precise quantitative scaling laws among the superconducting transition temperature (T c ), the linear-in-T scattering coefficient (A 1 ) and the doping level (x) in electron-doped copper oxide La 2-x Ce x CuO 4 (LCCO). High-resolution characterization of epitaxial composition-spread films, which encompass the entire overdoped range of LCCO, has enabled us to systematically map its structural and transport properties with unprecedented accuracy and with increments of Δx = 0.0015. Additionally, we have uncovered the relations T c ~ (x c - x) 0.5 ~ (A 1 $\square$ ) 0.5 , where x c is the critical doping in which superconductivity disappears and A 1 $\square$ is the coefficient of the linear resistivity per CuO 2 plane. The striking similarity of the T c versus A 1 $\square$ relation among copper oxides, iron-based and organic superconductors may be an indication of a common mechanism of the strange-metal behaviour and unconventional superconductivity in these systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Intricate structure of the plasma Rayleigh–Taylor instability in shock tubes

Spikes and bubbles grow on unstable interfaces that are accelerated in high-energy-density conditions. If a shock propagates ahead of the interface, the plasma can be heated to extreme conditions where conduction and radiation fluxes influence the hydrodynamics. For example, a National Ignition Facility experiment found reduced single-mode nonlinear mixed-width growth in conditions scaled from a supernova explosion. We present high-resolution two-dimensional radiation hydrodynamic simulations with the Flash code that quantitatively reproduce the experiment. Radiative fluxes are primarily responsible for ablating the spike and removing the mushroom caps. The ablated plasma increases the mixed mass and forms a low-density halo with spikes forming in both directions. This is considerably more complex than classical instability. The halo is sensitive to ablative physics, so radiographing it may aid in the verification of energy transport modeling. Although ablation changes the spike shape, it has little effect on the overall mixed width for these parameters. This is because ablation enhances the bubble velocity but it has the opposite effect on the spike. The radiation transport instead suppresses the growth via increasing the shocked foam density, thus decreasing the Atwood number. Furthermore, a terminal velocity model including the rarefaction expansion agrees with the experimental mixed-width growth.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

COVID-19 Biomarkers and Advanced Sensing Technologies for Point-of-Care (POC) Diagnosis

COVID-19, also known as SARS-CoV-2 is a novel, respiratory virus currently plaguing humanity. Genetically, at its core, it is a single-strand positive-sense RNA virus. It is a beta-type Coronavirus and is distinct in its structure and binding mechanism compared to other types of coronaviruses. Testing for the virus remains a challenge due to the small market available for at-home detection. Currently, there are three main types of tests for biomarker detection: viral, antigen and antibody. Reverse Transcription-Polymerase Chain Reaction (RT-PCR) remains the gold standard for viral testing. However, the lack of quantitative detection and turnaround time for results are drawbacks. This manuscript focuses on recent advances in COVID-19 detection that have lower limits of detection and faster response times than RT-PCR testing. The advancements in sensing platforms have amplified the detection levels and provided real-time results for SARS-CoV-2 spike protein detection with limits as low as 1 fg/mL in the Graphene Field Effect Transistor (FET) sensor. Additionally, using multiple biomarkers, detection levels can achieve a specificity and sensitivity level comparable to that of PCR testing. Proper biomarker selection coupled with nano sensing detection platforms are key in the widespread use of Point of Care (POC) diagnosis in COVID-19 detection.

60 APPLIED LIFE SCIENCES↗

Defect Equilibria from First Principles: From Widegap Oxides to Topological Semimetals

Materials functionality and performance is rarely determined by the ideal crystal alone but is usually affected by formation of imperfections and the solution of impurities. In some applications, such as solar thermochemical hydrogen generation, defect formation is the fundamentally enabling mechanism of the desired functionality. In other cases, such as Cd3As2 topological semimetals, unintentional self-doping presents an obstacle to the access to the unique electronic properties. In either case, a quantitative understanding of the relevant defect mechanism is essential for developing design strategies. This presentation will touch upon numerous aspects in the computational simulation of defect equilibria, including non-equilibrium design strategies, the coupling of solid state and gas-phase reactions, dopant-defect and defect-defect interactions, both attractive and repulsive, the accuracy of total energy functionals and electronic structure methods, and the role of the shape of the density of states for the charge balance condition and Fermi level position, as well as machine-learning prediction of defect energies (1). Specific materials systems include Ga2O3 (2), Cd3As2 (3), and (Sr,Ce)MnO3 (4). (1) M.D. Witman, A. Goyal, T. Ogitsu, A.H. McDaniel, S. Lany, Nat. Comput. Sci. 3, 675 (2023). (2) A. Goyal, A. Zakutayev, V. Stevanovic, S. Lany, J. Appl. Phys. 129, 245704 (2021). (3) C. Brooks, M. van Schilfgaarde, D. Pashov, J.N. Nelson, K. Alberi, D.S. Dessau, S. Lany, Phys. Rev. B 107, 224110 (2023). (4) A. Goyal, M.D. Sanders, R.P. O'Hayre, S. Lany, PRX Energy 3, 013008 (2024).

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS,M↗

Unusually Strong Near‐Infrared Photoluminescence of Highly Transparent Bulk InSe Flakes

Abstract Bulk γ‐InSe has a direct bandgap of 1.24 eV, which corresponds to near infrared wavelengths ( λ = 1.0 µm) useful in optoelectronic applications from biometric detectors to silicon photonics. However, its potential for optoelectronic applications is largely untapped due in part to the lack of quantitative studies of its optical properties. Here, the unusually low absorptance and high photoluminescence quantum efficiency of single‐crystalline InSe flakes with thickness in the hundreds of nanometers are studied. InSe emits brightly at room temperature from its direct bandgap with a peak photoluminescence quantum yield (PLQY) of 20%, despite displaying indirect bandgap like low absorption coefficient due to the symmetry of its crystal structure. By performing pump‐dependent PLQY measurements, the radiative and nonradiative recombination coefficients are extracted, including the Shockley‐Read‐Hall and Auger coefficients. Finally, a proof‐of‐concept alternating current electroluminescent device at low temperature is demonstrated to show the promise of InSe in optoelectronic technology such as highly transparent, bright NIR light sources.

Geng, Jamie↗

Experimental Modal Analysis Using Phase Quantities from Phase-Based Motion Processing and Motion Magnification

Phase-based motion processing and the associated Motion Magnification that it enables has become popular not only for the striking videos that it can produce of traditionally stiff structures visualized with very large deflections, but also for its ability to pull information out of the noise floor of images so that they can be processed with more traditional optical techniques such as digital image correlation or feature tracking. While the majority of papers in the literature have utilized the Phase-based Image Processing approach as a pre-processor for more quantitative analyses, the technique itself can be used directly to extract modal parameters from an image, noting that the extracted phases are proportional to displacements in the image. Therefore, once phases are extracted, they can be fit using traditional experimental modal analysis techniques. This produces a mode “shape” where the degrees of freedom are phases instead of physical motions. These phases can be scaled to produce on-image visualizations of the mode shapes, rather than operational shapes produced by bandpass filtering. Modal filtering techniques can also be used to visualize motions from an environment on an image using the modal phases as a basis for the expansion.

47 OTHER INSTRUMENTATION↗