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At least 577 records · Page 32

Spectroscopy and dynamics of the v = 1 levels derived from the OH(D) stretching modes in the I‾∙HDO complex using CW and time-resolved, resonant two-photon infrared excitation of the cryogenically cooled ions

The vibrational energy levels of the two isotopomers adopted by the I‾∙HDO ion-molecule complex occur such that the OH(D) stretching fundamentals span its dissociation energy, thus enabling a spectroscopic investigation of the dynamics displayed by a system prepared in the vicinity of the dissociation threshold. This regime is explored using infrared photoexcitation of the mass-selected complexes cooled in a cryogenic radiofrequency (Paul) ion trap. Survey spectra are obtained at modest resolution using two-color, IR-IR photodissociation with nanosecond lasers to establish the level structure and unimolecular decay dynamics of the v = 1 and 2 levels of the bound OH(D) oscillator. The v = 1 levels are prepared by fixed frequency excitation in the trap and the absorption spectra arising from this excited state are probed by photofragmentation of the complex with a second pulsed IR laser after a variable delay time (0 to 20 ms). The transitions to levels above the dissociation threshold for I‾ + HDO formation are observed to be sharp (~5 cm -1 FWHM). At low pressure, the bound OD (v = 1) population relaxes very slowly (~3 ms), consistent with resonant fluorescence in the IR. The collisional quenching rate constants of this level by the He buffer gas were estimated to be on the order 3 x 10 -12 cm 3 /s based on a crude Stern-Volmer analysis. Here, the rotational fine structure and linewidths (≲0.01 cm -1 FWHM) arising from transitions of the non-bonded OH stretch fundamental of the OD-bound isotopomer that lies just above the dissociation energy are determined using single photon photodissociation by excitation of the 10 K ions with a single-frequency, CW IR laser in the ion trap.

Cryogenic ion infrared spectroscopy↗

Seasonal changes in occupancy and activity patterns in native Collared Peccary and non-native wild pig and Common Warthog in southern Texas, the United States

Abstract Southern Texas, USA, is home to native collared peccaries (Dicotyles tajacu) and introduced populations of invasive wild pigs (generally Sus scrofa × domesticus hybrids) and non-native African warthogs (Phacochoerus africanus). Although these ecologically similar mammals co-occur in this region, the potential impacts of invasive suids on collared peccaries are poorly understood. We examined co-occupancy and activity pattern overlap of collared peccaries, wild pigs, and warthogs across 3 seasons (fall, winter, and spring) using remote camera data collected from Chaparral Wildlife Management Area, Cotulla, Texas (November 2020 to June 2021). Using activity pattern analyses and single and 2-species occupancy models incorporating habitat and climate characteristics, we found evidence of extensive spatial overlap between all species pairs and varying degrees of temporal overlap depending on species pairs and season. Collared peccaries and wild pigs displayed moderate temporal overlap across all seasons. Collared peccaries appeared to alter fall activity in the presence of wild pigs to be active earlier in the morning and less active during the day. Collared peccaries and warthogs had low-to-moderate temporal overlap (low in fall, winter; moderate in spring). Wild pigs and warthogs had low temporal overlap (fall, spring) and wild pigs appeared to alter activity in the presence of warthogs (fall), becoming less active during the day during peak warthog activity. Overall, our results suggest that peccary, wild pig, and warthog interactions and activity are dynamic and vary seasonally according to the ecology and preferred environmental conditions of each species. Given the potential for interspecific competition and disease transmission with Collared Peccary and other native wildlife, resource partitioning between wild pigs and warthogs needs to be further examined to aid in effective management strategies.

Kupferman, Caitlin A. (ORCID:0009000953554860)↗

Identification of Adaptive Fungal Pathogen Resistance Loci in Switchgrass (Final Report)

Switchgrass (Panicum virgatum) has great potential as a sustainable bioenergy and bioproducts feedstock. However, there are a number of challenges that must be overcome to achieve this goal. One of the most significant challenges to switchgrass productivity are fungal pathogens, especially rusts and smuts. The primary goals of our project were to characterize the distribution of fungal pathogens on switchgrass across central North America and to identify genetic loci that control resistance to those pathogens. The research was primarily conducted with large common garden plantings of a switchgrass, distributed along a latitudinal gradient from South Texas to South Dakota. By conducting this research simultaneously at 10 field locations, we were able establish the relative contributions of genes and the environment to pathogen resistance. Through this research, we identified multiple genomic regions (loci) that contribute to rust resistance and found that the effects of these loci on resistance were highly influenced by field site location. Our research revealed that most of the rust damage to switchgrass from Texas to the northern United States is caused by a single fungal species, Puccinia novopanici. Therefore, genetic variation within this species and/or local environmental conditions are responsible for the inconsistent efficacy of pathogen resistance loci. We are currently investigating these two non-mutually exclusive hypotheses. In addition to our studies of rust pathogens, we were able to identify resistance loci for the head smut fungal pathogen Tilletia maclaganii. The funding from this grant facilitated a collaboration with the DOE Joint Genome Institute to develop a reference genome for T. maclaganii. A reference genome will make population genetic studies of this smut fungus possible, which in turn will facilitate the development of strategies to mitigate its impact. Overall, the funded research has greatly advanced our understanding of the genetic basis of fungal pathogen resistance switchgrass. This knowledge will help facilitate the breeding of more resistant cultivars and thus, increase the productivity of swichgrass generally.

09 BIOMASS FUELS↗

Shadows in the Dark: Low-surface-brightness Galaxies Discovered in the Dark Energy Survey

We present a catalog of 23,790 extended low-surface-brightness galaxies (LSBGs) identified in $\sim 5000\,{\deg }^{2}$ from the first three years of imaging data from the Dark Energy Survey (DES). Based on a single-component Sérsic model fit, we define extended LSBGs as galaxies with g-band effective radii ${R}_{\mathrm{eff}}(g)\gt 2\buildrel{\prime\prime}\over{.} 5$ and mean surface brightness ${\bar{\mu }}_{\mathrm{eff}}(g)\gt 24.2\,\mathrm{mag}\,{\mathrm{arcsec}}^{-2}$. We find that the distribution of LSBGs is strongly bimodal in (g-r) versus (g-i) color space. We divide our sample into red (g- i ≥ 0.60) and blue (g- i < 0.60) galaxies and study the properties of the two populations. Redder LSBGs are more clustered than their blue counterparts and are correlated with the distribution of nearby (z < 0.10) bright galaxies. Red LSBGs constitute ~33% of our LSBG sample, and $\sim 30 \% $ of these are located within 1° of low-redshift galaxy groups and clusters (compared to ~8% of the blue LSBGs). For nine of the most prominent galaxy groups and clusters, we calculate the physical properties of associated LSBGs assuming a redshift derived from the host system. In these systems, we identify 41 objects that can be classified as ultradiffuse galaxies, defined as LSBGs with projected physical effective radii ${R}_{\mathrm{eff}}\gt 1.5\,\mathrm{kpc}$ and central surface brightness ${\mu }_{0}(g)\gt 24.0\,\mathrm{mag}\,{\mathrm{arcsec}}^{-2}$. The wide-area sample of LSBGs in DES can be used to test the role of environment on models of LSBG formation and evolution.

79 ASTRONOMY AND ASTROPHYSICS↗

Graphene nanoribbons initiated from molecularly derived seeds

Abstract Semiconducting graphene nanoribbons are promising materials for nanoelectronics but are held back by synthesis challenges. Here we report that molecular-scale carbon seeds can be exploited to initiate the chemical vapor deposition (CVD) synthesis of graphene to generate one-dimensional graphene nanoribbons narrower than 5 nm when coupled with growth phenomena that selectively extend seeds along a single direction. This concept is demonstrated by subliming graphene-like polycyclic aromatic hydrocarbon molecules onto a Ge(001) catalyst surface and then anisotropically evolving size-controlled nanoribbons from the seeds along $$\left\langle 110\right\rangle$$ 110 of Ge(001) via CH 4 CVD. Armchair nanoribbons with mean normalized standard deviation as small as 11% (3 times smaller than nanoribbons nucleated without seeds), aspect ratio as large as 30, and width as narrow as 2.6 nm (tunable via CH 4 exposure time) are realized. Two populations of nanoribbons are compared in field-effect transistors (FETs), with off-current differing by 150 times because of the nanoribbons’ different widths.

36 MATERIALS SCIENCE↗

An accurate, non-empirical method for incorporating decoherence into Ehrenfest dynamics

In mixed quantum-classical nonadiabatic molecular dynamics methods, the anchoring of the electronic wave function to a single nuclear geometry results in both quantitative and qualitative errors in the dynamics. In the context of both Ehrenfest and trajectory surface hopping methods, methods for incorporating decoherence are widely used to eliminate these errors. However, the accuracy of these methods often depends strongly on the parameterization of the decoherence time and/or other related quantities. Here, we present a refinement of the recently introduced collapse to a block (TAB) scheme for incorporating decoherence into Ehrenfest dynamics. The proposed approach incorporates an approximation to the history of the population dynamics and treats the coherence decay as Gaussian, rather than exponential. This method uses parameters that can be obtained from first principles, rather than empirical fitting. Application to one-dimensional models indicates excellent agreement with numerically exact simulations. We also introduce a second refinement to the TAB method: a robust linear least-squares algorithm for determining collapse probabilities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Measured Energy-Dependent Neutron Attenuation Through the Stacked Printed Circuit Boards

Engineers often stack printed circuit boards (PCBs), populated with semiconductor devices, one behind the other in neutron beams to improve the error statistics in radiation-effects tests. As the neutron beam traverses through the boards, the neutron flux is both attenuated and the energy spectrum changes, which may have a significant impact on the results of such tests. In this work, we have developed a technique to measure the energy-dependent neutron attenuation due to the PCBs and to determine the energy-dependent effective cross section of neutron interactions with a single PCB. With this effective cross section, engineers can calculate the change in the neutron energy spectrum and the total neutron attenuation after any number of identical PCBs in the stack. This information will allow test engineers to partially correct inaccuracies in soft error tests.

42 ENGINEERING↗

Vertical Structure of Local Disk Galaxies Revealed by DESI Imaging Data

The vertical structure of galactic disks is an important probe of the disk assembly history. Here we investigate the vertical structure of a sample of 79 local disk galaxies within 50 Mpc using data from the Dark Energy Spectroscopic Instrument Legacy Imaging Surveys. Vertical luminosity profiles as a function of radius in the g, r, and z bands are extracted and fitted using a single-component sech2 model to determine scale height and its radial variation (i.e., flaring). Our measurements indicate local galactic disks are overall thin with negligible flaring. The median scale heights at 1 R e are 0.21, 0.22, and 0.22 kpc in the g, r, and z bands, respectively, while the median radial gradients of scale height are −0.006, 0.003, and 0.001 in these bands. These values are consistent with that of the geometric thin disk of the Milky Way represented by metal-rich, low-[α/Fe] populations, confirming the weak flaring of the geometric thin disk. A clear positive correlation of scale height with stellar mass is observed down to the low-mass end of 10 7 M ⊙ . These results provide a homogeneous benchmark for the vertical structure of nearby disk galaxies and establish the cosmological representativeness of the Milky Way thin disk.

79 ASTRONOMY AND ASTROPHYSICS↗

Time-dependent equation-of-motion coupled-cluster simulations with a defective Hamiltonian

Here simulations of laser-induced electron dynamics in a molecular system are performed using time-dependent (TD) equation-of-motion (EOM) coupled-cluster (CC) theory. The target system has been chosen to highlight potential shortcomings of truncated TD-EOM-CC methods [represented in this work by TD-EOM-CC with single and double excitations (TD-EOM-CCSD)], where unphysical spectroscopic features can emerge. Specifically, we explore driven resonant electronic excitations in magnesium fluoride in the proximity of an avoided crossing. Near the avoided crossing, the CCSD similarity-transformed Hamiltonian is defective, meaning that it has complex eigenvalues, and oscillator strengths may take on negative values. When an external field is applied to drive transitions to states exhibiting these traits, unphysical dynamics are observed. For example, the stationary states that make up the time-dependent state acquire populations that can be negative, exceed one, or even complex-valued.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Production of warm ions in electron beam generated E × B plasma

Several recent experiments have demonstrated low-damage processing of 2D materials, such as graphene and single crystal diamond, using electron beam (e-beam) generated plasmas with applied crossed electric and magnetic (E × B) fields. Here, the low damage of these sensitive materials is commonly attributed to the low energy of ions incident to the substrate surface and the ion confinement in E x B fields. In this work, measurements of atom and ion velocity distribution functions in an e-beam E × B plasma at sub-mTorr argon pressures using a laser-induced fluorescence diagnostic revealed the presence of a warm population of ions with temperatures of ~ 1 eV that are sufficient to destroy the ion confinement in E × B fields and drive the ion flux by cross field diffusion in the direction opposite to the applied electric field, toward the plasma-bounded walls or substrate. Thus, it is this nearly ambipolar diffusion process that is responsible for the flux of charged particles impinging on the wall/substrate surface.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

High-Performance Near-Infrared Quantum Emission from Color Centers in hBN

Color centers hosted in hexagonal boron nitride (hBN) have emerged as a highly promising platform for single-photon emission and spin-photon technologies relevant to quantum communication and quantum networking. As a wide bandgap van der Waals material, hBN can host optically active quantum defects across a broad spectral range. Here, we demonstrate a simple and scalable oxygen-plasma process that reproducibly creates single quantum emitters in hBN with blinking-free zero-phonon lines (ZPLs) spanning near-infrared (NIR) from 700 up to 971 nm. These emitters combine MHz-level brightness, single-photon purity up to 99.9%, and ultranarrow cryogenic line widths down to 2.7 GHz under quasi-resonant excitation, placing them in a particularly attractive regime for quantum photonics. Photostability measurements further reveal resistance to photobleaching, subnanometer spectral stability over long time scales, and near-shot-noise-limited intensity fluctuations. Analysis of the phonon sidebands shows weak vibronic coupling and ZPL-dominated emission, with Debye–Waller factors approaching 50%. Control experiments together with elemental mapping support oxygen incorporation as a necessary ingredient in activating the NIR emitter population, while first-principles calculations identify O N V N and O N V N H as the leading defect candidates. These results establish a high-performance NIR quantum-emitter platform in hBN for free-space quantum networking and future integrated quantum-photonic architectures.

2D materials↗

Thermal transport exceeding bulk heat conduction due to nonthermal micro/nanoscale phonon populations

While classical size effects usually lead to a reduced effective thermal conductivity, we report here that nonthermal phonon populations produced by a micro/nanoscale heat source can lead to enhanced heat conduction, exceeding the prediction from Fourier's law. We study nondiffusive thermal transport by phonons at small distances within the framework of the Boltzmann transport equation (BTE) and demonstrate that the transport is significantly affected by the distribution of phonons emitted by the source. We discuss analytical solutions of the steady-state BTE for a source with a sinusoidal spatial profile, as well as for a three-dimensional Gaussian “hot spot,” and provide numerical results for single crystal silicon at room temperature. If a micro/nanoscale heat source produces a thermal phonon distribution, it gets hotter than that predicted by the heat diffusion equation; however, if the source predominantly produces low-frequency acoustic phonons with long mean free paths, it may get significantly cooler than that predicted by the heat equation, yielding an enhanced heat transport beyond bulk heat conduction.

42 ENGINEERING↗

The complex polyploid genome architecture of sugarcane

Sugarcane, the world’s most harvested crop by tonnage, has shaped global history, trade and geopolitics, and is currently responsible for 80% of sugar production worldwide. While traditional sugarcane breeding methods have effectively generated cultivars adapted to new environments and pathogens, sugar yield improvements have recently plateaued. The cessation of yield gains may be due to limited genetic diversity within breeding populations, long breeding cycles and the complexity of its genome, the latter preventing breeders from taking advantage of the recent explosion of whole-genome sequencing that has benefited many other crops. Thus, modern sugarcane hybrids are the last remaining major crop without a reference-quality genome. Here we take a major step towards advancing sugarcane biotechnology by generating a polyploid reference genome for R570, a typical modern cultivar derived from interspecific hybridization between the domesticated species (Saccharum officinarum) and the wild species (Saccharum spontaneum). In contrast to the existing single haplotype (‘monoploid’) representation of R570, our 8.7 billion base assembly contains a complete representation of unique DNA sequences across the approximately 12 chromosome copies in this polyploid genome. Using this highly contiguous genome assembly, we filled a previously unsized gap within an R570 physical genetic map to describe the likely causal genes underlying the single-copy Bru1 brown rust resistance locus. This polyploid genome assembly with fine-grain descriptions of genome architecture and molecular targets for biotechnology will help accelerate molecular and transgenic breeding and adaptation of sugarcane to future environmental conditions.

59 BASIC BIOLOGICAL SCIENCES↗

Dissipative Reactions with Intermediate-Energy Beams: A Novel Approach to Populate Complex-Structure States in Rare Isotopes

A novel pathway for the formation of multiparticle-multihole excited states in rare isotopes is reported from highly energy- and momentum-dissipative inelastic-scattering events measured in reactions of an intermediate-energy beam of 38 Ca on a Be target. The negative-parity, complex-structure final states in 38 Ca are observed following the in-beam γ-ray spectroscopy of events in the 9 Be( 38 Ca, 38 Ca + γ)X reaction in which the scattered projectile loses longitudinal momentum of order Δp || = 700 MeV/c. Here, the characteristics of the observed final states are discussed and found to be consistent with the formation of excited states involving the rearrangement of multiple nucleons in a single, highly energetic projectile-target collision. Unlike the far-less-dissipative, surface-grazing reactions usually exploited for the in-beam γ-ray spectroscopy of rare isotopes, these more energetic collisions appear to offer a practical pathway to nuclear-structure studies of more complex multiparticle configurations in rare isotopes—final states conventionally thought to be out of reach with high-luminosity fast-beam-induced reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Development and validation of time‐domain 1 H‐NMR relaxometry correlation for high‐throughput phenotyping method for lipid contents of lignocellulosic feedstocks

Abstract The bioenergy crops such as energycane, miscanthus, and sorghum are being genetically modified using state of the art synthetic biotechnology techniques to accumulate energy‐rich molecules such as triacylglycerides (TAGs) in their vegetative cells to enhance their utility for biofuel production. During the initial genetic developmental phase, many hundreds of transgenic phenotypes are produced. The efficiency of the production pipeline requires early and minimally destructive determination of oil content in individuals. Current screening methods require time‐intensive sample preparation and extraction with chemical solvents for each plant tissue. A rapid screen will also be needed for developing industrial extraction as these crops become available. In the present study, we have devised a proton relaxation nuclear magnetic resonance ( 1 H‐NMR) method for single‐step, non‐invasive, and chemical‐free characterization of in‐situ lipids in untreated and pretreated lignocellulosic biomass. The systematic evaluation of NMR relaxation time distribution provided insight into the proton environment associated with the lipids in the biomass. It resolved two distinct lipid‐associated subpopulations of proton nuclei that characterize total in‐situ lipids into bound and free oil based on their “molecular tumbling” rate. The T1T2 correlation spectra also facilitated the resolution of the influence of various pretreatment procedures on the chemical composition of molecular and local 1 H population in each sample. Furthermore, we show that hydrothermally pretreated biomass is suitable for direct NMR analysis unlike dilute acid and alkaline pretreated biomass which needs an additional step for neutralization.

pretreatment↗

Minnesota peat viromes reveal terrestrial and aquatic niche partitioning for local and global viral populations

Abstract Background Peatlands are expected to experience sustained yet fluctuating higher temperatures due to climate change, leading to increased microbial activity and greenhouse gas emissions. Despite mounting evidence for viral contributions to these processes in peatlands underlain with permafrost, little is known about viruses in other peatlands. More generally, soil viral biogeography and its potential drivers are poorly understood at both local and global scales. Here, 87 metagenomes and five viral size-fraction metagenomes (viromes) from a boreal peatland in northern Minnesota (the SPRUCE whole-ecosystem warming experiment and surrounding bog) were analyzed for dsDNA viral community ecological patterns, and the recovered viral populations (vOTUs) were compared with our curated PIGEON database of 266,125 vOTUs from diverse ecosystems. Results Within the SPRUCE experiment, viral community composition was significantly correlated with peat depth, water content, and carbon chemistry, including CH 4 and CO 2 concentrations, but not with temperature during the first 2 years of warming treatments. Peat vOTUs with aquatic-like signatures (shared predicted protein content with marine and/or freshwater vOTUs) were significantly enriched in more waterlogged surface peat depths. Predicted host ranges for SPRUCE vOTUs were relatively narrow, generally within a single bacterial genus. Of the 4326 SPRUCE vOTUs, 164 were previously detected in other soils, mostly peatlands. None of the previously identified 202,371 marine and freshwater vOTUs in our PIGEON database were detected in SPRUCE peat, but 0.4% of 80,714 viral clusters (VCs, grouped by predicted protein content) were shared between soil and aquatic environments. On a per-sample basis, vOTU recovery was 32 times higher from viromes compared with total metagenomes. Conclusions Results suggest strong viral “species” boundaries between terrestrial and aquatic ecosystems and to some extent between peat and other soils, with differences less pronounced at higher taxonomic levels. The significant enrichment of aquatic-like vOTUs in more waterlogged peat suggests that viruses may also exhibit niche partitioning on more local scales. These patterns are presumably driven in part by host ecology, consistent with the predicted narrow host ranges. Although more samples and increased sequencing depth improved vOTU recovery from total metagenomes, the substantially higher per-sample vOTU recovery after viral particle enrichment highlights the utility of soil viromics.

59 BASIC BIOLOGICAL SCIENCES↗

Multilayered Ordered Protein Arrays Self-Assembled from a Mixed Population of Virus-like Particles

Biology shows many examples of spatially controlled assembly of cells and biomacromolecules into hierarchically organized structures, to which many of the complex biological functions are attributed. While such biological structures have inspired the design of synthetic materials, it is still a great challenge to control the spatial arrangement of individual building blocks when assembling multiple types of components into bulk materials. Here, in this study, we report self-assembly of multilayered, ordered protein arrays from mixed populations of virus-like particles (VLPs). We systematically tuned the magnitude of the surface charge of the VLPs via mutagenesis to prepare four different types of VLPs for mixing. A mixture of up to four types of VLPs selectively assembled into higher-order structures in the presence of oppositely charged dendrimers during a gradual lowering of the ionic strength of the solution. The assembly resulted in the formation of three-dimensional ordered VLP arrays with up to four distinct layers including a central core, with each layer comprising a single type of VLP. A coarse-grained computational model was developed and simulated using molecular dynamics to probe the formation of the multilayered, core-shell structure. Our findings establish a simple and versatile bottom-up strategy to synthesize multilayered, ordered materials by controlling the spatial arrangement of multiple types of nanoscale building blocks in a one-pot fabrication.

59 BASIC BIOLOGICAL SCIENCES↗

Pediatric dosing for locally acting drugs in submissions to the U.S. Food and Drug Administration between 2002 and 2020

Abstract Deriving pediatric doses for locally acting drugs (LADs) presents a unique challenge because limited systemic exposure hinders commonly used approaches such as pharmacokinetic matching to adults. This study systematically evaluated drug development practices used for pediatric dose selection of LADs approved by the U.S. Food and Drug Administration from 2002 to 2020. The three study objectives were: (1) to determine the dose selection approach for the labeled pediatric dose, (2) to examine the studied pediatric dose(s), and (3) to evaluate the characteristics of the pediatric clinical programs used to support the labeled pediatric dose. A total of 187 pediatric submissions were characterized for the labeled and studied pediatric doses of LADs. The pediatric dose was predominantly labeled as a flat dose (91%) and at a single‐dose level (67%) similar to adults. The majority (68.4%) of the submissions had the same labeled dose for pediatrics and adults. Independent pharmacodynamic/efficacy studies in pediatric patients commonly (64.2%) provided supportive evidence for the labeled pediatric dose. Inhalation, nasal, and injectable submissions had the highest number of clinical trials, lowest usage of an extrapolation of efficacy approach, and utilized diverse approaches in selecting the studied pediatric doses. This article highlights approaches for LAD dosing in pediatric patients and can be used to inform drug development of these products in the pediatric population.

Research & Experimental Medicine↗