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At least 595 records · Page 33

Dynamics of tetrahydrofuran as minority component in a mixture with poly(2-(dimethylamino)ethyl methacrylate): A neutron scattering and dielectric spectroscopy investigation

We have investigated a mixture of poly(2-(dimethylamino)ethyl methacrylate) (PDMAEMA) and tetrahydrofuran (THF) (70 wt. % PDMAEMA/30 wt. % THF) by combining dielectric spectroscopy and quasielastic neutron scattering (QENS) on a labelled sample, focusing on the dynamics of the THF molecules. Two independent processes have been identified. The “fast” one has been qualified as due to an internal motion of the THF ring leading to hydrogen displacements of about 3 Å with rather broadly distributed activation energies. The “slow” process is characterized by an Arrhenius-like temperature dependence of the characteristic time which persists over more than 9 orders of magnitude in time. The QENS results evidence the confined nature of this process, determining a size of about 8 Å for the volume within which THF hydrogens’ motions are restricted. In a complementary way, we have also investigated the structural features of the sample. This study suggests that THF molecules are well dispersed among side-groups nano-domains in the polymer matrix, ruling out a significant presence of clusters of solvent. Such a good dispersion, together with a rich mobility of the local environment, would prevent cooperativity effects to develop for the structural relaxation of solvent molecules, frustrating thereby the emergence of Vogel-Fulcher-like behavior, at least in the whole temperature interval investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Theory of capillary tension and interfacial dynamics of motility-induced phases

The statistical mechanics of equilibrium interfaces has been well-established for over a half century. In the past decade, a wealth of observations have made increasingly clear that a new perspective is required to describe interfaces arbitrarily far from equilibrium. In this work, beginning from microscopic particle dynamics that break time-reversal symmetry, we derive the linear interfacial dynamics of coexisting motility-induced phases. Doing so allows us to identify the athermal energy scale that excites interfacial fluctuations and the nonequilibrium surface tension that resists these excitations. Our theory identifies that, in contrast to equilibrium fluids, this active surface tension contains contributions arising from nonconservative forces which act to suppress interfacial fluctuations and, crucially, is distinct from the mechanical surface tension of Kirkwood and Buff. Here we find that the interfacial stiffness scales linearly with the intrinsic persistence length of the constituent active particle trajectories, in agreement with simulation data. We demonstrate that at wavelengths much larger than the persistence length, the interface obeys surface-area minimizing Boltzmann statistics with our derived nonequilibrium interfacial stiffness playing a role identical to that of equilibrium systems.

36 MATERIALS SCIENCE↗

Uncertainty Quantification of Fatigue Behavior of Rough AM Surfaces and Microstructures to Enable Hydrogen Gas Turbine

Modifying fossil-fueled industrial gas turbines to utilize low or zero-carbon fuels, such as hydrogen or hydrogen-natural gas blends, is a complex endeavor. The successful implementation of this technology hinges on three key design criteria: (1) developing new fuel injectors capable of efficiently burning alternative fuels, (2) ensuring manufacturability to meet cost and time-to-market goals, and (3) achieving component durability in the demanding environment of an operating gas turbine. Additive manufacturing (AM) accelerates product development, yet concerns persist regarding the durability of parts with rough AM surfaces. A fully experimental approach to quantify the fatigue performance of rough AM microstructures is both costly and labor-intensive. To address this, ORNL and Solar Turbines Incorporated (Solar) employed a crystal plasticity finite element (CPFE) model to identify the factors influencing AM surface fatigue behavior. These CPFE findings, combined with targeted experimental data, were used to develop a computationally efficient surrogate model suitable for assessing the lifespan of gas turbine engine components.

08 HYDROGEN↗

Warming of the Indian Ocean Threatens Eastern and Southern Africa, but could be Mitigated by Agricultural Development

Since 1980, the number of undernourished people in eastern and southern Africa has more than doubled. Rural development stalled and rural poverty expanded during the 1990s. Population growth remains very high and declining per capita agricultural capacity retards progress towards Millennium Development goals. Analyses of in situ station data and satellite observations of precipitation identify another problematic trend. Main growing season rainfall receipts have diminished by approximately 15% in food insecure countries clustered along the western rim of the Indian Ocean. Occurring during the main growing seasons in poor countries dependent on rain fed agriculture, these declines are societally dangerous. Will they persist or intensify? Tracing moisture deficits upstream to an anthropogenically warming Indian Ocean leads us to conclude that further rainfall declines are likely. We present analyses suggesting that warming in the central Indian Ocean disrupts onshore moisture transports, reducing continental rainfall. Thus late 20th century anthropogenic Indian Ocean warming has probably already produced societally dangerous climate change by creating drought and social disruption in some of the world's most fragile food economies. We quantify the potential impacts of the observed precipitation and agricultural capacity trends by modeling millions of undernourished people as a function of rainfall, population, cultivated area, seed and fertilizer use. Persistence of current tendencies may result in a 50% increase in undernourished people. On the other hand, modest increases in per capita agricultural productivity could more than offset the observed precipitation declines. Investing in agricultural development can help mitigate climate change while decreasing rural poverty and vulnerability.

Funk, Chris↗

An Assessment of Persistent Acoustic Monitoring of a Nuclear Reactor during Full Power Generation

Persistent low-frequency (<180 Hz) acoustic detection took place within the boundaries of Oak Ridge National Laboratory to monitor full power operations of the High Flux Isotope Reactor. Three acoustic sensors were installed at distances of 69, 101, and 914 m from the northeast corner of the cooling towers to monitor and assess four reactor power generation cycles. Features were extracted from power spectral density calculations where data were collected during reactor on and off operations. Diverse spectral features were present during full reactor power, including a 21.4 Hz fundamental frequency and ascending harmonics. Using bandpass filters, these related frequencies were isolated and summed, and the root mean square energy was calculated. The method of isolating and summing characteristic features provided a significant improvement in identifying acoustic behavior related to reactor power when the raw signals were obscured by noise.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Genetic and Epigenetic Changes in Chromosomally Stable and Unstable Progeny of Irradiated Cells

Radiation induced genomic instability is a well-studied phenomenon, the underlying mechanisms of which are poorly understood. Persistent oxidative stress, mitochondrial dysfunction, elevated cytokine levels and epigenetic changes are among the mechanisms invoked in the perpetuation of the phenotype. To determine whether epigenetic aberrations affect genomic instability we measured DNA methylation, mRNA and microRNA (miR) levels in well characterized chromosomally stable and unstable clonally expanded single cell survivors of irradiation. While no changes in DNA methylation were observed for the gene promoters evaluated, increased LINE-1 methylation was observed for two unstable clones (LS12, CS9) and decreased Alu element methylation was observed for the other two unstable clones (115, Fe5.0-8). These relationships also manifested for mRNA and miR expression. mRNA identified for the LS12 and CS9 clones were most similar to each other (261 mRNA), while the 115 and Fe5.0-8 clones were more similar to each other, and surprisingly also similar to the two stable clones, 114 and 118 (286 mRNA among these four clones). Pathway analysis showed enrichment for pathways involved in mitochondrial function and cellular redox, themes routinely invoked in genomic instability. The commonalities between the two subgroups of clones were also observed for miR. The number of miR for which anti-correlated mRNA were identified suggests that these miR exert functional effects in each clone. The results of this study demonstrate significant genetic and epigenetic changes in unstable cells, but similar changes almost equally common in chromosomally stable cells. Possible conclusions might be that the chromosomally stable clones have some other form of instability, or that some of the observed changes represent a sort of radiation signature for and that other changes are related to genomic instability. Irrespective, these findings again suggest that a spectrum of changes both drive genomic instability and permit unstable cells to persist and proliferate.

Baulch, Janet E.↗

Heterotrophic Archaea Contribute to Carbon Cycling in Low-pH, Suboxic Biofilm Communities

Archaea are widely distributed and yet are most often not the most abundant members of microbial communities. Here, we document a transition from Bacteria- to Archaea-dominated communities in microbial biofilms sampled from the Richmond Mine acid mine drainage (AMD) system (pH 1.0,38 C) and in laboratory-cultivated biofilms. This transition occurs when chemoautotrophic microbial communities that develop at the air-solution interface sink to the sediment-solution interface and degrade under microaerobic and anaerobic conditions. The archaea identified in these sunken biofilms are from the class Thermoplasmata, and in some cases, the highly divergent ARMAN nanoarchaeal lineage. In several of the sunken biofilms, nanoarchaea comprise 10 to 25% of the community, based on fluorescent in situ hybridization and metagenomic analyses. Comparative community proteomic analyses show a persistence of bacterial proteins in sunken biofilms, but there is clear evidence for amino acid modifications due to acid hydrolysis. Given the low representation of bacterial cells in sunken biofilms based on microscopy, we infer that hydrolysis reflects proteins derived from lysed cells. For archaea, we detected 2,400 distinct proteins, including a subset involved in proteolysis and peptide uptake. Laboratory cultivation experiments using complex carbon substrates demonstrated anaerobic enrichment of Ferroplasma and Aplasma coupled to the reduction of ferric iron. These findings indicate dominance of acidophilic archaea in degrading biofilms and suggest that they play roles in anaerobic nutrient cycling at low pH.

Justice, Nicholas B↗

UV Laser-Induced, Time-Resolved Transcriptome Responses of Saccharomyces cerevisiae

We observed the effect on gene transcription of laser-mediated, long-wavelength UV-irradiation of Saccharomyces cerevisiae by RNAseq analysis at times T15, T30, and T60 minutes after recovery in growth medium. Laser-irradiated cells were viable, and the transcriptional response was transient, with over 400 genes differentially expressed at T15 or T30, returning to basal level transcription by T60. Identification of transcripts exhibiting enhanced differential expression that were unique to UV laser-irradiation were identified by imposing a stringent significance cut-off (p <0.05, log 2 difference >2) then filtering out genes known as environmental stress response (ESR) genes. Using these rigorous criteria, 56 genes were differentially expressed at T15; at T30 differential expression was observed for 57 genes, some of which persisted from T15. Among the highly up-regulated genes were those supporting amino acid metabolic processes sulfur amino acids, methionine, aspartate, cysteine, serine), sulfur regulation (hydrogen sulfite metabolic processes, sulfate assimilation, sulfate reduction), proteasome components, amino acid transporters, and the iron regulon. At T30, the expression profile shifted to expression of transcripts related to catabolic processes (oxidoreductase activity, peptidase activity). Transcripts common to both T15 and T30 suggested an up-regulation of catabolic events, including UV damage response genes, and protein catabolism via proteasome and peptidase activity. Specific genes encoding tRNAs were among the down-regulated genes adding to the suggestion that control of protein biosynthesis was a major response to long-wave UV laser irradiation. These transcriptional responses bring light to the remarkable ability of the yeast cell to respond to a UV-induced environmental insult.

59 BASIC BIOLOGICAL SCIENCES↗

On the origin of the near-infrared emission from the neutron-star low-mass X-ray binary GX 9+1

We have determined an improved position for the luminous persistent neutron-star low-mass X-ray binary and atoll source GX 9+1 from archival Chandra X-ray Observatory data. The new position significantly differs from a previously published Chandra position for this source. Based on the revised X-ray position we have identified a new near-infrared (NIR) counterpart to GX 9+1 in K{sub s}-band images obtained with the PANIC and FourStar cameras on the Magellan Baade Telescope. NIR spectra of this K{sub s}=16.5±0.1 mag star, taken with the FIRE spectrograph on the Baade Telescope, show a strong Br γ emission line, which is a clear signature that we discovered the true NIR counterpart to GX 9+1. The mass donor in GX 9+1 cannot be a late-type giant, as such a star would be brighter than the estimated absolute K{sub s} magnitude of the NIR counterpart. The slope of the dereddened NIR spectrum is poorly constrained due to uncertainties in the column density N{sub H} and NIR extinction. Considering the source’s distance and X-ray luminosity, we argue that N{sub H} likely lies near the high end of the previously suggested range. If this is indeed the case, the NIR spectrum is consistent with thermal emission from a heated accretion disk, possibly with a contribution from the secondary. In this respect, GX 9+1 is similar to other bright atolls and the Z sources, whose NIR spectra do not show the slope that is expected for a dominant contribution from optically thin synchrotron emission from the inner regions of a jet.

79 ASTRONOMY AND ASTROPHYSICS↗

Granger Causality for prediction in Dynamic Mode Decomposition: Application to power systems

Here, the dynamic mode decomposition (DMD) technique extracts the dominant modes characterizing the innate dynamical behavior of the system within the measurement data. For appropriate identification of dominant modes from the measurement data, the DMD algorithm necessitates ensuring the quality of the input measurement data sequences. On that account, for validating the usability of the dataset for the DMD algorithm, the paper proposed two conditions: Persistence of excitation (PE) and the Granger Causality Test (GCT). The virtual data sequences are designed with the hankel matrix representation such that the dimensions of the subspace spanning the essential system modes are increased with the addition of new state variables. The PE condition provides the lower bound for the trajectory length, and the GCT provides the order of the model. Satisfying the PE condition enables estimating an approximate linear model, but the predictability with the identified model is only assured with the temporal causation among data searched with GCT. The proposed methodology is validated with the application for coherency identification (CI) in a multi-machine power system (MMPS), an essential phenomenon in transient stability analysis. The significance of PE condition and GCT is demonstrated through various case studies implemented on 22 bus six generator system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Genome‐wide CRISPR‐Cas9 screen reveals a persistent null‐hyphal phenotype that maintains high carotenoid production in Yarrowia lipolytica

Abstract Yarrowia lipolytica is a metabolic engineering host of growing industrial interest due to its ability to metabolize hydrocarbons, fatty acids, glycerol, and other renewable carbon sources. This dimorphic yeast undergoes a stress‐induced transition to a multicellular hyphal state, which can negatively impact biosynthetic activity, reduce oxygen and nutrient mass transfer in cell cultures, and increase culture viscosity. Identifying mutations that prevent the formation of hyphae would help alleviate the bioprocess challenges that they create. To this end, we conducted a genome‐wide CRISPR screen to identify genetic knockouts that prevent the transition to hyphal morphology. The screen identified five mutants with a null‐hyphal phenotype— ΔRAS2 , ΔRHO5 , ΔSFL1 , ΔSNF2 , and ΔPAXIP1 . Of these hits, only ΔRAS2 suppressed hyphal formation in an engineered lycopene production strain over a multiday culture. The RAS2 knockout was also the only genetic disruption characterized that did not affect lycopene production, producing more than 5 mg L −1 OD −1 from a heterologous pathway with enhanced carbon flux through the mevalonate pathway. These data suggest that a ΔRAS2 mutant of Y. lipolytica could prove useful in engineering a metabolic engineering host of the production of carotenoids and other biochemicals.

59 BASIC BIOLOGICAL SCIENCES↗

Resurrection of ancestral effector caspases identifies novel networks for evolution of substrate specificity

Apoptotic caspases evolved with metazoans more than 950 million years ago (MYA), and a series of gene duplications resulted in two subfamilies consisting of initiator and effector caspases. The effector caspase genes (caspases-3, -6, and -7) were subsequently fixed into the Chordata phylum more than 650 MYA when the gene for a common ancestor (CA) duplicated, and the three effector caspases have persisted throughout mammalian evolution. All caspases prefer an aspartate residue at the P1 position of substrates, so each caspase evolved discrete cellular roles through changes in substrate recognition at the P4 position combined with allosteric regulation. We examined the evolution of substrate specificity in caspase-6, which prefers valine at the P4 residue, compared with caspases-3 and -7, which prefer aspartate, by reconstructing the CA of effector caspases (AncCP-Ef1) and the CA of caspase-6 (AncCP-6An). We show that AncCP-Ef1 is a promiscuous enzyme with little distinction between Asp, Val, or Leu at P4. The specificity of caspase-6 was defined early in its evolution, where AncCP-6An demonstrates a preference for Val over Asp at P4. Structures of AncCP-Ef1 and of AncCP-6An show a network of charged amino acids near the S4 pocket that, when combined with repositioning a flexible active site loop, resulted in a more hydrophobic binding pocket in AncCP-6An. The ancestral protein reconstructions show that the caspase-hemoglobinase fold has been conserved for over 650 million years and that only three substitutions in the scaffold are necessary to shift substrate selection toward Val over Asp.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Short- and long-range magnetic order in LaMnAsO

The magnetic properties of the layered oxypnictide LaMnAsO have been revisited using neutron scattering and magnetization measurements. The present measurements identify the Néel temperature T N = 360(1) K. Below T N the critical exponent describing the magnetic order parameter is β=0.33–0.35 , consistent with a three-dimensional Heisenberg model. Above this temperature, diffuse magnetic scattering indicative of short-range magnetic order is observed, and this scattering persists up to T SRO = 650(10) K. Morevoer, the magnetic susceptibility shows a weak anomaly at T SRO and no anomaly at T N . Analysis of the diffuse scattering data using a reverse Monte Carlo algorithm indicates that above T N nearly two-dimensional, short-range magnetic order is present with a correlation length of 9.3(3) Å within the Mn layers at 400 K. The inelastic scattering data reveal a spin gap of 3.5 meV in the long-range ordered state, and strong, low-energy (quasielastic) magnetic excitations emerging in the short-range ordered state. When we compared it with other related compounds correlates the distortion of the Mn coordination tetrahedra to the sign of the magnetic exchange along the layer-stacking direction, and suggests that short-range order above T N is a common feature in the magnetic behavior of layered Mn-based pnictides and oxypnictides.

74 ATOMIC AND MOLECULAR PHYSICS↗

Functional Insights of Salinity Stress-Related Pathways in Metagenome-Resolved Methanothrix Genomes

Recently, methanogenic archaea belonging to the genus Methanothrix were reported to have a fundamental role in maintaining stable ecosystem functioning in anaerobic bioreactors under different configurations/conditions. In this study, we reconstructed three Methanothrix metagenome-assembled genomes (MAGs) from granular sludge collected from saline upflow anaerobic sludge blanket (UASB) reactors, where Methanothrix harundinacea was previously implicated with the formation of compact and stable granules under elevated salinity levels (up to 20 g/L Na + ). Genome annotation and pathway analysis of the Methanothrix MAGs revealed a genetic repertoire supporting their growth under high salinity. Specifically, the most dominant Methanothrix (MAG_279), classified as a subspecies of Methanothrix_A harundinacea_D, had the potential to augment its salinity resistance through the production of different glycoconjugates via the N-glycosylation process, and via the production of compatible solutes as N ε -acetyl-β-lysine and ectoine. The stabilization and reinforcement of the cell membrane via the production of isoprenoids was identified as an additional stress-related pathway in this microorganism. The improved understanding of the salinity stress-related mechanisms of M. harundinacea highlights its ecological niche in extreme conditions, opening new perspectives for high-efficiency methanisation of organic waste at high salinities, as well as the possible persistence of this methanogen in highly-saline natural anaerobic environments.

59 BASIC BIOLOGICAL SCIENCES↗

Dielectric metasurfaces made from vertically oriented nanoresonators

Dielectric metasurfaces control optical wavefronts via nanoscale resonators laid out across a surface. However, most metasurfaces are, by design, planar. In this work, we demonstrate the ability to fabricate dielectric metasurfaces with vertically oriented dielectric resonators using membrane projection lithography. We first numerically characterize the resonant modes of an array of vertically oriented germanium ellipses with no substrate and identify a narrowband region where the resonators satisfy the first Kerker condition. We then fabricate seven metasurfaces by depositing germanium ellipses onto walls of a 3D micrometer-sized silicon nitride photonic scaffold and characterize their transmission. We find that signatures of the multipolar modes seen in the unsupported array persist in the supported array, but the overall behavior is more complicated due to the scaffold. Further, we show that for a conceptual metasurface containing two coupled, vertically oriented ellipses, the ellipses can generate a sharp resonance with a quality factor of 240.

Gennaro, Sylvain D. (ORCID:0000000222090831)↗

The impact of the eruptions of Mount Pinatubo and Cerro Hudson on antarctic aerosol levels during the 1991 austral spring

At the beginning of the 1991 Austral spring, volcanic aerosols from Mt. Pinatubo and Cerro Hudson were present in the polar stratosphere of the Southern Hemisphere. Satellite observations of aerosol extinction were used to identify and track the movement of these aerosols in the vicinity of the Antarctic vortex during August through November 1991. A layer of mature Mt. Pinatubo aerosols was identified near 21 km and a layer of fresh Cerro Hudson aerosols was identified near 12 km. This altitude separation of the Mt. Pinatubo and Cerro Hudson aerosols was observed throughout the period. Below 15 km, the polar stratosphere was subject to episodes of strong wave activity which transported the Cerro Hudson aerosols poleward and, after the middle of September, they became a persistent feature beneath the vortex. Above 15 km, signatures of Mt. Pinatubo aerosols were observed near the vortex boundary, but significant portions of the vortex interior remained free of any detectable intrusions of Mt. Pinatubo aerosols until the final warming in mid-November.

Pitts, M. C.↗

Wave and ion evolution downstream of quasi-perpendicular bow shocks

Distribution functions of ions heated in quasi-perpendicular bow shocks have a large perpendicular temperature anisotropy that provides free energy for the growth of Alfven ion cyclotron (AIC) waves and mirror waves. Both types of waves have been observed in the Earth's magnetosheath downstream of quasi-perpendicular shocks. We use a two-dimensional hybrid simulations to give a self-consistent description of the evolution of the wave spectra downstream of quasi-perpendicular shocks. Both mirror and AIC waves are identified in the simulated magnetosheath. They are generated at or near the shock front and convected away from it by the sheath plasma. Near the shock, the waves have a broad spectrum, but downstream of the shock, shorter-wavelength modes are heavily damped and only longer-wavelength modes persist. The characteristics of these surviving modes can be predicted with reasonable accuracy by linear kinetic theory appropriate for downstream conditions. We also follow the evolution of the ion distribution function. The shocked ions that provide the free energy for wave growth have a two-component distribution function. The halo is initially gyrophase-bunched and extremely anisotropic. Within a relatively short distance downstream of the shock (of the order of 10 ion inertial lengths), wave-particle interactions remove these features from the halo and reduce the anisotropy of the distribution to near-threshold levels for the mirror and AIC instabilities. A similar evolution has been observed for ions at the Earth's bow shock.

Mckean, M. E.↗

Lung Volume Reduction After Stereotactic Ablative Radiation Therapy of Lung Tumors: Potential Application to Emphysema

Purpose: Lung volume reduction surgery (LVRS) improves dyspnea and other outcomes in selected patients with severe emphysema, but many have excessive surgical risk for LVRS. We analyzed the dose-volume relationship for lobar volume reduction after stereotactic ablative radiation therapy (SABR) of lung tumors, hypothesizing that SABR could achieve therapeutic volume reduction if applied in emphysema. Methods and Materials: We retrospectively identified patients treated from 2007 to 2011 who had SABR for 1 lung tumor, pre-SABR pulmonary function testing, and ≥6 months computed tomographic (CT) imaging follow-up. We contoured the treated lobe and untreated adjacent lobe(s) on CT before and after SABR and calculated their volume changes relative to the contoured total (bilateral) lung volume (TLV). We correlated lobar volume reduction with the volume receiving high biologically effective doses (BED, α/β = 3). Results: 27 patients met the inclusion criteria, with a median CT follow-up time of 14 months. There was no grade ≥3 toxicity. The median volume reduction of the treated lobe was 4.4% of TLV (range, −0.4%-10.8%); the median expansion of the untreated adjacent lobe was 2.6% of TLV (range, −3.9%-11.6%). The volume reduction of the treated lobe was positively correlated with the volume receiving BED ≥60 Gy (r{sup 2}=0.45, P=.0001). This persisted in subgroups determined by high versus low pre-SABR forced expiratory volume in 1 second, treated lobe CT emphysema score, number of fractions, follow-up CT time, central versus peripheral location, and upper versus lower lobe location, with no significant differences in effect size between subgroups. Volume expansion of the untreated adjacent lobe(s) was positively correlated with volume reduction of the treated lobe (r{sup 2}=0.47, P<.0001). Conclusions: We identified a dose-volume response for treated lobe volume reduction and adjacent lobe compensatory expansion after lung tumor SABR, consistent across multiple clinical parameters. These data serve to inform our ongoing prospective trial of stereotactic ablative volume reduction (SAVR) for severe emphysema in poor candidates for LVRS.

62 RADIOLOGY AND NUCLEAR MEDICINE↗