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At least 829 records · Page 46

Vip1 is a kinase and pyrophosphatase switch that regulates inositol diphosphate signaling

Inositol diphosphates (PP-IPs), also known as inositol pyrophosphates, are high-energy cellular signaling codes involved in nutrient and regulatory responses. We report that the evolutionarily conserved gene product, Vip1, possesses autonomous kinase and pyrophosphatase domains capable of synthesis and destruction of D-1 PP-IPs. Our studies provide atomic-resolution structures of the PP-IP products and unequivocally define that the Vip1 gene product is a highly selective 1-kinase and 1-pyrophosphatase enzyme whose activities arise through distinct active sites. Kinetic analyses of kinase and pyrophosphatase parameters are consistent with Vip1 evolving to modulate levels of 1-IP 7 and 1,5-IP 8 . Individual perturbations in kinase and pyrophosphatase activities in cells result in differential effects on vacuolar morphology and osmotic responses. Analogous to the dual-functional key energy metabolism regulator, phosphofructokinase 2, Vip1 is a kinase and pyrophosphatase switch whose 1-PP-IP products play an important role in a cellular adaptation.

59 BASIC BIOLOGICAL SCIENCES↗

On the parameter combinations that matter and on those that do not: data-driven studies of parameter (non)identifiability

Abstract We present a data-driven approach to characterizing nonidentifiability of a model’s parameters and illustrate it through dynamic as well as steady kinetic models. By employing Diffusion Maps and their extensions, we discover the minimal combinations of parameters required to characterize the output behavior of a chemical system: a set of effective parameters for the model. Furthermore, we introduce and use a Conformal Autoencoder Neural Network technique, as well as a kernel-based Jointly Smooth Function technique, to disentangle the redundant parameter combinations that do not affect the output behavior from the ones that do. We discuss the interpretability of our data-driven effective parameters, and demonstrate the utility of the approach both for behavior prediction and parameter estimation. In the latter task, it becomes important to describe level sets in parameter space that are consistent with a particular output behavior. We validate our approach on a model of multisite phosphorylation, where a reduced set of effective parameters (nonlinear combinations of the physical ones) has previously been established analytically.

Evangelou, Nikolaos↗

Emitter-site-selective photoelectron circular dichroism of trifluoromethyloxirane

The angle-resolved inner-shell photoionization of R-trifluoromethyloxirane, C 3 H 3 F 3 O, is studied experimentally and theoretically. Thereby, we investigate the photoelectron circular dichroism (PECD) for nearly symmetric O 1s and F 1s electronic orbitals, which are localized on different molecular sites. The respective dichroic β 1 and angular distribution β 2 parameters are measured at the photoelectron kinetic energies from 1 to 16 eV by using variably polarized synchrotron radiation and velocity map imaging spectroscopy. The present experimental results are in good agreement with the outcome of ab initio electronic structure calculations. We report a sizable chiral asymmetry β 1 of up to about 9% for the K -shell photoionization of oxygen atom. For the individual fluorine atoms, the present calculations predict asymmetries of similar size. However, being averaged over all fluorine atoms, it drops down to about 2%, as also observed in the present experiment. Our study demonstrates a strong emitter and site sensitivity of PECD in the one-photon inner-shell ionization of this chiral molecule.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Universal collective modes in two-dimensional chiral superfluids

In this work, we utilize semiclassical kinetic equations to investigate the order parameter collective modes of a class of two-dimensional superfluids. Extending the known results for p-wave superfluids, we show that for any chiral ground state of angular momentum L ≥ 1, there exists a subgap mode with a mass √2Δ in the BCS limit, where Δ is the magnitude of the ground-state gap. We determine the most significant Landau parameter that contributes to the mass renormalization and show explicitly that the renormalized modes become massless at the Pomeranchuk instability of the fermion vacuum. Particularly for L = 1, we propose a continuous field theory to include the Fermi liquid effect in a quadrupolar channel and produce the same result under consistent approximations. Furthermore, they provide potential diagnostics for distinguishing two-dimensional chiral ground states of different angular momenta with the order parameter collective modes and reveal another low-energy degree of freedom near the nematic transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Corrosion of Rare-Earth Disilicate Environmental Barrier Coatings in Gas Turbine Environments—Part 2: Microstructure Model

A model for the volatization of ytterbium disilicate (YbDS) by water vapor is developed. The new model is based on the Deal & Grove theory of the thermal oxidation of silicon [1], generalized here to account for the multi-step, second-order chemical reactions for silica depletion, multi-component mixture effects, and the unsteady porous microstructural evolution of the corroded inner zone. With the new model, the fundamental kinetic rate and standard porous media parameters are determined using the atmospheric steam jet impingement experiment of Ridley & Opila [2] and compared to results from the original Deal & Grove model. Fixing the input parameters in each respective model, a validation study (blind prediction) is presented for the high Reynolds number (1 × 105) and high pressure (14.7 atm) burner rig experiment of Wan et al. [3].

Cha, Chong M [Rolls Royce]↗

Sharp Drop in the Mobility of Holes with a Decrease in Their Two-Dimensional Concentration by an External Voltage in Boron δ-Doped Diamond Layers

It is shown, both analytically and numerically, that the hole mobility in boron δ-doped (i.e., with a thickness on the order of several lattice constants) diamond layers drops with a decrease in their two-dimensional concentration during depletion of the δ-doped layer by an external voltage. This drop is most pronounced for the maximum initial two-dimensional hole concentrations ~ 3 × 10{sup 13} cm{sup –2} (limited from above by the condition for the possibility of their significant reduction without the electrical breakdown of diamond). This is explained by a decrease in the degree of screening of scattering Coulomb potentials of ionized boron atoms and an increase in the scattering efficiency of degenerate holes from these atoms due to a drop in the kinetic energy of holes. The corresponding calculations of the transport scattering cross section of holes are performed beyond the Born approximation (i.e., perturbation theory), which is inapplicable for boron δ-doped diamond layers. The predicted effect can be used to increase the efficiency of source-to-drain current modulation by a gate voltage in diamond field-effect transistors (FETs) with δ-doped conduction channels.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Understanding the Role of Complexation in the Charge-Transfer Kinetics of the Cu 2+ + e ↔ Cu 1+ Redox Reaction in Ethaline Deep Eutectic Solvent

Deep eutectic solvent (DES) based electrolytes are gaining attention for electrochemical applications. As such, knowledge of the charge transfer kinetics in DES and its dependence on electrolyte composition and temperature is important. Using Cu 2+ + e ↔ Cu 1+ as a model system, we demonstrate that metal redox reactions in chloride-containing DES media suffer from sluggish charge transfer kinetics. The exchange current density, i 0 , displayed a peculiar inverse relationship with the bulk chloride concentration, [Cl – ] b . The i 0 decreased from 7.9 to 3.0 mA/cm 2 when [Cl – ] b increased from 2.8 to 4.6 M at 30°C. Such dependence is shown to originate from Cl – complexation with reactant and product species. Furthermore, i 0 increased with an increase in Cu n + bulk concentration in the 50–200 mM range. Also, increase in temperature elevated i 0 . The charge transfer coefficient α c , however, remained constant (~0.5) and was unaffected by Cu n + or Cl – concentrations or by temperature. To explain how charge transfer kinetics depend on the various system parameters, a model incorporating complexation phenomena was developed and its predictions were compared to experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Design Construction and Operation of a Supercritical Carbon Dioxide (sCO 2 ) Loop for Investigation of Dry Cooling and Natural Circulation Potential for Use in Advanced Small Modular Reactors Utilizing sCO 2 Power Conversion Cycles.

The second-generation particle size velocity (Parsivel2, Figure 1) disdrometer, or laser disdrometer, referred to as “LDIS” within the U.S. Department of Energy (DOE)’s Atmospheric Radiation Measurement (ARM) User Facility, is a modern, laser-based disdrometer designed for comprehensive and reliable measurement of all types of precipitation. LDIS captures detailed information on the size and velocity of individual hydrometeors that fall to the ground, classifying them into a range of 32 categories. These raw measurements are processed by a fast signal processor (provided by the vendor) to calculate various parameters, including precipitation type, amount, intensity, kinetic energy, visibility in the precipitation, and equivalent radar reflectivity. These measurements have served as the primary data set and a valuable reference for a variety of studies, ranging from observational analyses of precipitation processes and climate model evaluations to monitoring or validating radar/satellite retrievals (e.g., Wang et al. 2018, Giangrande et al. 2019, Jackson et al. 2020).

Middleton, Bobby D.↗

Laser Disdrometer (LDIS) Instrument Handbook

The second-generation particle size velocity (Parsivel2, Figure 1) disdrometer, or laser disdrometer, referred to as “LDIS” within the U.S. Department of Energy (DOE)’s Atmospheric Radiation Measurement (ARM) User Facility, is a modern, laser-based disdrometer designed for comprehensive and reliable measurement of all types of precipitation. LDIS captures detailed information on the size and velocity of individual hydrometeors that fall to the ground, classifying them into a range of 32 categories. These raw measurements are processed by a fast signal processor (provided by the vendor) to calculate various parameters, including precipitation type, amount, intensity, kinetic energy, visibility in the precipitation, and equivalent radar reflectivity. These measurements have served as the primary data set and a valuable reference for a variety of studies, ranging from observational analyses of precipitation processes and climate model evaluations to monitoring or validating radar/satellite retrievals (e.g., Wang et al. 2018, Giangrande et al. 2019, Jackson et al. 2020).

47 OTHER INSTRUMENTATION↗

Performance Analysis and Radiation Damage Estimation of the Stopping Target Monitor Detectors in Mu2e

The Mu2e experiment aims to search for the charged lepton flavour violating (CLFV) process of a coherent, neutrinoless, conversion of a muon into an electron within the proximity of an aluminium nucleus. Mu2e seeks to measure the ratio (R μe ) of the rate of this conversion process, relative to that of ordinary muon capture. Mu2e will achieve world-leading sensitivity, improving the current limit of Rμe < 7 ×10 -13 (90% C.L.),set by the SINDRUM-II experiment, by an order of 104. This corresponds to a single-event sensitivity of Rμe < 2.87 × 10 -17 (90% C.L.). Many beyond Standard Model (BSM) theories require CLFV to occur at a rate accessible by Mu2e. Any observation of CLFV at Mu2e would have profound implications on particle physics. The Stopping Target Monitor (STM) will be comprised of both a HPGe and a LaBr3 detector which will monitor the signals of photons produced in stopped-muon processes to a required accuracy of 10%. To achieve the desired sensitivity, it is imperative that the detectors perform at their optimal level. The STM detectors are placed within a harsh radiation environment in the form of a high energy ‘flash’ of gamma radiation as well as a flux of fast neutrons. Estimations of radiation damage to HPGe in literature is limited. This thesis reports an approach which utilizes the Kinetic-Energy Released in Matter (KERMA) parameter that considers the energy dependence of the incident flux and the cross-section information for the incident particle. Resampling schemes have been adopted to give a realistic rate over the experiment run time. The results have then been normalized to the radiation damage caused by a 252 Cf source. The estimated time before annealing of the detector is necessary is found to be 75 and 78 months in the case of neutron damage and τ ~ 24 years, 11 months in the case of electron/positron induced damage. This shows significant improvement on the previous estimations.

36 MATERIALS SCIENCE↗

THE EFFECTS OF KINETIC INSTABILITIES ON SMALL-SCALE TURBULENCE IN EARTH’S MAGNETOSHEATH

The Earth's magnetosheath is the region delimited by the bow shock and the magnetopause. It is characterized by highly turbulent fluctuations covering all scales from MHD down to kinetic scales. Turbulence is thought to play a fundamental role in key processes such as energy transport and dissipation in plasma. In addition to turbulence, different plasma instabilities are generated in the magnetosheath because of the large anisotropies in plasma temperature introduced by its boundaries. In this study we use high-quality magnetic field measurements from Cluster spacecraft to investigate the effects of such instabilities on the small-scale turbulence (from ion down to electron scales). We show that the steepening of the power spectrum of magnetic field fluctuations in the magnetosheath occurs at the largest characteristic ion scale. However, the spectrum can be modified by the presence of waves/structures at ion scales, shifting the onset of the small-scale turbulent cascade toward the smallest ion scale. This cascade is therefore highly dependent on the presence of kinetic instabilities, waves, and local plasma parameters. Here we show that in the absence of strong waves the small-scale turbulence is quasi-isotropic and has a spectral index α ≈ −2.8. When transverse or compressive waves are present, we observe an anisotropy in the magnetic field components and a decrease in the absolute value of α . Slab/2D turbulence also develops in the presence of transverse/compressive waves, resulting in gyrotropy/non-gyrotropy of small-scale fluctuations. The presence of both types of waves reduces the anisotropy in the amplitude of fluctuations in the small-scale range.

79 ASTRONOMY AND ASTROPHYSICS↗

Transient Mass-loss Analysis of Solar Observations Using Stellar Methods

Low-frequency dynamic spectra of radio bursts from nearby stars offer the best chance to directly detect the stellar signature of transient mass loss on low-mass stars. Crosley et al. (2016) proposes a multi-wavelength methodology to determine coronal mass ejection (CME) parameters, such as speed, mass, and kinetic energy. We test the validity and accuracy of the results derived from the methodology by using Geostationary Operational Environmental Satellite X-ray observations and Bruny Island Radio Spectrometer radio observations. These are analogous observations to those that would be found in the stellar studies. Derived results from these observations are compared to direct white light measurements of the Large Angle and Spectrometric Coronagraph. We find that, when a pre-event temperature can be determined, the accuracy of CME speeds are within a few hundred km s{sup −1}, and are reliable when specific criteria has been met. CME mass and kinetic energies are only useful in determining the approximate order of magnitude measurements when considering the large errors associated to them. These results will be directly applicable to the interpretation of any detected stellar events and the derivation of stellar CME properties.

79 ASTRONOMY AND ASTROPHYSICS↗

Modeling turbulent compressible flows - The mass fluctuating velocity and squared density

This paper deals with single-point closure theory for compressible turbulent flow, including the effects of compressibility on the turbulence. In particular, the combination of the pressure dilatation and the dilatation dissipation, terms which appear on the turbulent kinetic energy equation, are modeled. Model parameters in these transport equations are determined by comparing predictions with boundary layer measurements. Finally, predictions with a k-epsilon model, including the new formulations, are presented for the compressible shear layer.

Taulbee, D.↗

Bolt cutter functional evaluation

The Aerospace Corporation has been implementing finite difference and finite element codes for the analysis of a variety of explosive ordnance devices. Both MESA-2D and DYNA3D have been used to evaluate the role of several design parameters on the performance of a satellite separation system bolt cutter. Due to a lack of high strain rate response data for the materials involved, the properties for the bolt cutter and the bolt were selected to achieve agreement between computer simulation and observed characteristics of the recovered test hardware. The calculations provided insight into design parameters such as the cutter blade kinetic energy, the preload on the bolt, the relative position of the anvil, and the anvil shape. Modeling of the cutting process clarifies metallographic observation of both cut and uncut bolts obtained from several tests. Understanding the physical processes involved in bolt cutter operation may suggest certain design modifications that could improve performance margin without increasing environmental shock response levels.

S. Goldstein↗

Bubble Combustion

A method of energy production that is capable of low pollutant emissions is fundamental to one of the four pillars of NASA s Aeronautics Blueprint: Revolutionary Vehicles. Bubble combustion, a new engine technology currently being developed at Glenn Research Center promises to provide low emissions combustion in support of NASA s vision under the Emissions Element because it generates power, while minimizing the production of carbon dioxide (CO2) and nitrous oxides (NOx), both known to be Greenhouse gases. and allows the use of alternative fuels such as corn oil, low-grade fuels, and even used motor oil. Bubble combustion is analogous to the inverse of spray combustion: the difference between bubble and spray combustion is that spray combustion is spraying a liquid in to a gas to form droplets, whereas bubble combustion involves injecting a gas into a liquid to form gaseous bubbles. In bubble combustion, the process for the ignition of the bubbles takes place on a time scale of less than a nanosecond and begins with acoustic waves perturbing each bubble. This perturbation causes the local pressure to drop below the vapor pressure of the liquid thus producing cavitation in which the bubble diameter grows, and upon reversal of the oscillating pressure field, the bubble then collapses rapidly with the aid of the high surface tension forces acting on the wall of the bubble. The rapid and violent collapse causes the temperatures inside the bubbles to soar as a result of adiabatic heating. As the temperatures rise, the gaseous contents of the bubble ignite with the bubble itself serving as its own combustion chamber. After ignition, this is the time in the bubble s life cycle where power is generated, and CO2, and NOx among other species, are produced. However, the pollutants CO2 and NOx are absorbed into the surrounding liquid. The importance of bubble combustion is that it generates power using a simple and compact device. We conducted a parametric study using CAVCHEM, a computational model developed at Glenn, that simulates the cavitational collapse of a single bubble in a liquid (water) and the subsequent combustion of the gaseous contents inside the bubble. The model solves the time-dependent, compressible Navier-Stokes equations in one-dimension with finite-rate chemical kinetics using the CHEMKIN package. Specifically, parameters such as frequency, pressure, bubble radius, and the equivalence ratio were varied while examining their effect on the maximum temperature, radius, and chemical species. These studies indicate that the radius of the bubble is perhaps the most critical parameter governing bubble combustion dynamics and its efficiency. Based on the results of the parametric studies, we plan on conducting experiments to study the effect of ultrasonic perturbations on the bubble generation process with respect to the bubble radius and size distribution.

Corrigan, Jackie↗

Water as a matrix for life

"Follow the water" is the canonical strategy in searching for life in the universe. Conventionally, discussion of this topic is focused on how solvent supports organic chemistry sufficiently rich to seed life. Perhaps more importantly, solvent must promote self-organization of organic matter into functional structures capable of responding to environmental changes. This process is based on non-covalent interactions. They are constantly formed and broken in response to internal and external stimuli. This requires that their strength must be properly tuned. If they were too weak, the system would exhibit undesired, uncontrolled response to natural fluctuations of physical and chemical parameters. If they were too strong kinetics of biological processes would be slow and energetics costly. Non-covalent interactions are strongly mediated by the solvent. Specifically, high dielectric solvents for life are needed for solubility of polar species and flexibility of biological structures stabilized by electrostatic interactions. Water exhibits a remarkable trait that it promotes solvophobic interactions between non-polar species, which are responsible for self-organization phenomena such as the formation of cellular boundary structures, and protein folding and aggregation. Unusual temperature dependence of hydrophobic interactions - they often become stronger as temperature increases - is a consequence of the temperature insensitivity of properties of the liquid water. This contributes to the existence of robust life over a wide temperature range. Water is not the only liquid with favorable properties for supporting life. Other pure liquids or their mixtures that have high dielectric constants and simultaneously support some level of self-organization will be discussed.

Pohorille, Andrew↗

Is Water a Universal Solvent for Life?

There are strong reasons to believe that the laws, principles and constraints of physics and chemistry are universal. It is much less clear how this universality translates into our understanding of the origins of life. Conventionally, discussions of this topic focus on chemistry that must be sufficiently rich to seed life. Although this is clearly a prerequisite for the emergence of living systems, I propose to focus instead on self-organization of matter into functional structures capable of reproduction, evolution and responding to environmental changes. In biology, most essential functions are largely mediated by noncovalent interactions (interactions that do not involve making or breaking chemical bonds). Forming chemical bonds is only a small part of what living systems do. There are specific implications of this point of view for universality. I will concentrate on one of these implications. Strength of non-covalent interactions must be properly tuned. If they were too weak, the system would exhibit undesired, uncontrolled response to natural fluctuations of physical and chemical parameters. If they were too strong kinetics of biological processes would be slow and energetics costly. This balance, however, is not a natural property of complex chemical systems. Instead, it has to be achieved with the aid of an appropriate solvent for life. In particular, potential solvents for life must be characterized by a high dielectric constant to ensure solubility of polar species and sufficient flexibility of biological structures stabilized by electrostatic interactions. Among these solvents, water exhibits a remarkable trait that it also promotes solvophobic (hydrophobic) interactions between non-polar species, typically manifested by a tendency of these species to aggregate and minimize their contacts with the aqueous solvent. Hydrophobic interactions are responsible, at least in part, for many self-organization phenomena in biological systems, such as the formation of cellular boundary structures or protein folding. Strengths of electrostatic and hydrophobic interactions are similar and can be balanced over a wide range of temperatures, which considerably increases the repertoire of interactions that can be used to modulate biological functions. Some properties of water, e.g. its chemical activity against polymerization reactions, are considered as unfavorable to life. In actuality, this might be a favorable trait because life requires a balance between constructive and destructive processes. For example, molecules synthesized in response to specific conditions must be degraded once these conditions change. Otherwise regulation of biological processes would be virtually impossible. Water might not be the only liquid with favorable properties for supporting life. It has been proposed that formamide, which might be present elsewhere in the universe in sufficient quantities to warrant interest, could be a potential alternative to water for the origin of life. However, this will remain highly hypothetical until it is demonstrated in further studies on its physical, chemical and biological properties it is capable of mediating self-organization of matter and providing proper balance between different types of non-covalent interactions.

Pohorill, Andrew↗

Measurement of the muon neutrino charged-current mesonless cross section in the NOvA near detector

NOvA is a long-baseline accelerator neutrino experiment at Fermilab. Its physics goals include precision neutrino oscillation measurements, neutrino interaction cross-section measurements and beyond Standard Model explorations. We present a measurement of muon neutrino charged-current cross section with zero mesons in the final state at the NOvA near detector. This measurement is performed as a function of the kinematics of the final state muon. Our chosen interaction channel is especially sensitive to quasielastic and meson exchange current interactions and it provides handles for constraining the cross section systematic uncertainties in oscillation analyses in present and future experiments. For particle identification, we use a convolutional neural network (CNN) trained on individual particles simulated in the NOvA Near detector. This allows us to select the desired signal while reducing the potential bias from neutrino interaction modeling. We study strategies for constraining the remaining charged-pion background via Michel electron information in a template fitting approach. The main experimental result is a two-dimensional differential cross section as a function of final-state muon kinetic energy and polar angle. The parameters of this measurement, including binning and unfolding, were optimized to reduce the expected systematic uncertainty in the total cross section. The final result shows good agreement with the main GENIE-based simulation framework that was independently fine-tuned in NOvA. We finally propose improvements and subsequent steps that build on this analysis and further dissect the final states of neutrino interactions. This work has been supported by US DOE grant DE-SC0015684.

Sánchez Falero, Sebastián Jesús [Iowa State U.]↗