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At least 1,333 records · Page 74

V-HAMSTeR v1.0.0

V-HAMSTeR is a bioinformatics software tool designed to predict the hosts of viruses directly from genomic sequences. It can be used by researchers to predict animal, prokaryotic, plant, protist or fungal viral hosts including viruses that may be fragmented or discovered in environmental metagenomic datasets. Features & Uses: The software employs a novel dual-stream deep learning architecture that dynamically fuses implicit sequence embeddings from a genomic foundation model with 13 explicit, handcrafted biological features (e.g., coding density and strand switch rates). To ensure maximum reliability, V=HAMSTeR deploys a 5-fold deep ensemble calibrated via Joint Temperature Scaling, providing users with statistically rigorous confidence probabilities. It also features an automated sequence chunking and mean-pooling module to seamlessly process variable-length contigs. Advantages Over Similar Technologies: Existing tools (e.g., IPEV, RNAVirHost) typically rely on either basic k-mers or isolated neural networks. V-HAMSTeR's hybrid architecture captures both broad genomic context and specific biological motifs that standalone foundation models often miss. Furthermore, unlike competitor tools that struggle with incomplete data or exhibit extreme overconfidence, V-HAMSTeR is explicitly benchmarked and mathematically calibrated for fragmented assemblies (1kb–10kb). This makes it uniquely robust, accurate, and trustworthy for the messy reality of real-world environmental viromics.

Grigson, Susie [Lawrence Berkeley National Laborat↗

The Pulsating Helium-atmosphere White Dwarfs. I. New DBVs from the Sloan Digital Sky Survey

Abstract We present a dedicated search for new pulsating helium-atmosphere (DBV) white dwarfs from the Sloan Digital Sky Survey using the McDonald 2.1 m Otto Struve Telescope. In total we observed 55 DB and DBA white dwarfs with spectroscopic temperatures between 19,000 and 35,000 K. We find 19 new DBVs and place upper limits on variability for the remaining 36 objects. In combination with previously known DBVs, we use these objects to provide an update to the empirical extent of the DB instability strip. With our sample of new DBVs, the red edge is better constrained, as we nearly double the number of DBVs known between 20,000 and 24,000 K. We do not find any new DBVs hotter than PG 0112+104, the current hottest DBV is at T eff ≈ 31,000 K, but do find pulsations in four DBVs with temperatures between 27,000 and 30,000 K, improving empirical constraints on the poorly defined blue edge. We investigate the ensemble pulsation properties of all currently known DBVs, finding that the weighted mean period and total pulsation power exhibit trends with effective temperature that are qualitatively similar to the pulsating hydrogen-atmosphere white dwarfs.

79 ASTRONOMY AND ASTROPHYSICS↗

Major element composition of Luna 20 glasses.

Ten per cent of the 50 to 150-micron size fraction of Luna 20 soil is glass. A random suite of 270 of these glasses has been analyzed by electron microprobe techniques. The major glass type forms a strong cluster around a mean value corresponding to Highland basalt (anorthositic gabbro) with 70% normative feldspar. Minor glass groups have the compositions of mare basalts and of low-K Fra Mauro type basalts. The glass data indicate that Highland basalt is the major rock type in the highlands north of Mare Fecunditatis.

Warner, J.↗

Turbine Blade Temperature Measurements Using Thin Film Temperature Sensors

The development of thin film temperature sensors is discussed. The technology for sputtering 2 micron thin film platinum versus platinum 10 percent rhodium thermocouples on alumina forming coatings was improved and extended to applications on actual turbine blades. Good adherence was found to depend upon achieving a proper morphology of the alumina surface. Problems of adapting fabrication procedures to turbine blades were uncovered, and improvements were recommended. Testing at 1250 K at one atmosphere pressure was then extended to a higher Mach No. (0.5) in combustor flow for 60 hours and 71 thermal cycles. The mean time to failure was 47 hours accumulated during 1 hour exposures in the combustor. Calibration drift was about 0.1 percent per hour, attributable to oxidation of the rhodium in the thin films. An increase in film thickness and application of a protective overcoat are recommended to reduce drift in actual engine testing.

Grant, H. P.↗

High resolution EUV structure of the chromosphere-corona transition region above a sunspot

Rocket observations are reported for a sunspot at high spatial and spectral resolution in the extreme ultraviolet region (EUV) between 1170 and 1715 A. The instrument and data reduction are described, and the appearance of the sunspot features in EUV emission lines is presented together with a correlation of the nonthermal velocity field with the Doppler velocity field. For sunspots the shape of the differential emission measure curve shows that the minimum is shifted to lower temperatures by over a factor of two, while the slope on a log-log scale near log of effective temperature equal to 5.3 is increased by a factor of two. This means that the energy balance is dominated by radiative losses from the large amount of transition region plasma, and an upper limit of a million K exists on the extrapolated temperature above the umbra. Static energy balance models of the umbra show that the observed enthalpy flux can balance radiative losses above 30,000 K for a fill factor greater than 0.1. An umbral model is compared with the chromospheric sunspot model of Kneer and Mattig (1978).

Nicolas, K. R.↗

The mean ionic charges of N, Ne, MG, SI and S in solar energetic particle events

The mean ionic charges of nitrogen, neon, magnesium, silicon, and sulfur in solar flare particle events were determined for 12 flares during the time interval from September 1978 to September 1979. The observations were carried out with the MPI/UoMd ULEZEQ Sensor on the ISEE-3 satellite comparing the results with mean charge states established in a hot coronal plasma under equilibrium conditions, different temperatures for different elements are discussed. These range from approx. 2 million K to 7 million K in a single flare. From flare to flare the variation in temperature for each element is less than the variation between different ion species.

Luhn, A.↗

Inhibition of plasma vasopressin after drinking in dehydrated humans

The effects of nonosmotic and nonvolumetric factors on vasopressin secretion in dehydrated humans has been investigated experimentally, before and after drinking. The subjects of the experiment were five adult men and three adult women weighing 69-77 kg. In order to determine the influence of nonosmotic and nonvolumetric factors on vasopressin secretion, measurements were obtained of the following blood hematological indices: serum Na(+) content; serum K(+) content; osmolality; and hemoglobin. Measurements of hematocrit, plasma arginine vasopressin (AVP), aldosterone, and renin activity were also obtained. It is found that dehydration increased mean serum Na(+) content, osmolality,and AVP. No significant changes were observed in renin activity, hemoglobin, hematocrit, or plasma volume, while plasma aldosterone increased from 11.1 ng/dl after dehydration to 15.6 ng/dl between 30 and 60 min after drinking. A rapid fall of AVP content following rehydration occurred in the absence of changes in the primary regulators of AVP osmolality and plasma volume, with no change in blood pressure. On the basis of the experimental results, it is suggested that oropharyngeal factors may be the mechanism, for the observed decrease in AVP following rehydration.

Geelen, G.↗

NASA Space applications of high-temperature superconductors

The application of superconducting technology in space has been limited by the requirement of cooling to near liquid helium temperatures. The only means of obtaining these temperatures has been with cryogenic fluids which severely limit mission lifetime. The development of materials with superconducting transition temperatures above 77 K has made superconducting technology more attractive and feasible for employment in aerospace systems. Here, potential applications of high temperature superconducting technology in cryocoolers, remote sensing, communications, and power systems are discussed.

Heinen, Vernon O.↗

Fuel decomposition and boundary-layer combustion processes of hybrid rocket motors

Using a high-pressure, two-dimensional hybrid motor, an experimental investigation was conducted on fundamental processes involved in hybrid rocket combustion. HTPB (Hydroxyl-terminated Polybutadiene) fuel cross-linked with diisocyanate was burned with GOX under various operating conditions. Large-amplitude pressure oscillations were encountered in earlier test runs. After identifying the source of instability and decoupling the GOX feed-line system and combustion chamber, the pressure oscillations were drastically reduced from +/-20% of the localized mean pressure to an acceptable range of +/-1.5% Embedded fine-wire thermocouples indicated that the surface temperature of the burning fuel was around 1000 K depending upon axial locations and operating conditions. Also, except near the leading-edge region, the subsurface thermal wave profiles in the upstream locations are thicker than those in the downstream locations since the solid-fuel regression rate, in general, increases with distance along the fuel slab. The recovered solid fuel slabs in the laminar portion of the boundary layer exhibited smooth surfaces, indicating the existence of a liquid melt layer on the burning fuel surface in the upstream region. After the transition section, which displayed distinct transverse striations, the surface roughness pattern became quite random and very pronounced in the downstream turbulent boundary-layer region. Both real-time X-ray radiography and ultrasonic pulse-echo techniques were used to determine the instantaneous web thickness burned and instantaneous solid-fuel regression rates over certain portions of the fuel slabs. Globally averaged and axially dependent but time-averaged regression rates were also obtained and presented.

Chiaverini, Martin J.↗

Combustion of solid fuel slabs with gaseous oxygen in a hybrid motor analog

Using a high-pressure, two-dimensional hybrid motor, an experimental investigation was conducted on fundamental processes involved in hybrid rocket combustion. HTPB (Hydroxyl-terminated- Polybutadiene) fuel cross linked with diisocyanate was burned with GOX under various operating conditions. Large amplitude pressure oscillations were encountered in earlier test runs. After identifying the source of instability and decoupling the GOX feed line system and combustion chamber, the pressure oscillations were drastically reduced from +/- 20% of the localized mean pressure to an acceptable range of +/- 1.5%. Embedded fine-wire thermocouples indicated that the surface temperature of the burning fuel was around 1000 K depending upon axial locations and operating conditions. Also, except near the leading-edge region, the subsurface thermal wave profiles in the upstream locations arc thicker than those in the downstream locations since the solid-fuel regression rate, in general, increases with distance along the fuel slab. The recovered solid fuel slabs in the laminar portion of the boundary layer exhibited smooth surfaces, indicating the existence of a liquid melt layer on the burning fuel surface in the upstream region. After the transition section, which displayed distinct transverse striations, the surface roughness pattern became quite random and very pronounced in the downstream turbulent boundary-layer region. Both real time X-ray radiography and ultrasonic pulse-echo techniques were used to determine the instantaneous web thicknesses and instantaneous solid-fuel regression rates over certain portions of the fuel slabs. Globally averaged and axially dependent but time-averaged regression rates were also obtained and presented. Several tests were conducted using, simultaneously, one translucent fuel slab and one fuel slab processed with carbon black powder. The addition of carbon black did not affect the measured regression rates or surface temperatures in comparison to the translucent fuel slabs.

Chiaverini, Martin J.↗

Data compression of discrete sequence: A tree based approach using dynamic programming

A dynamic programming based approach for data compression of a ID sequence is presented. The compression of an input sequence of size N to that of a smaller size k is achieved by dividing the input sequence into k subsequences and replacing the subsequences by their respective average values. The partitioning of the input sequence is carried with the intention of reducing the mean squared error in the reconstructed sequence. The complexity involved in finding the partitions which would result in such an optimal compressed sequence is reduced by using the dynamic programming approach, which is presented.

Shivaram, Gurusrasad↗

Fourfold Clusters of Rovibrational Energies in H2Te Studied With an Ab Initio Potential Energy Function

We report an ab initio investigation of the cluster effect (i.e., the formation of nearly degenerate, four member groups of rotation-vibration energy levels at higher J and K(sub a). values) in the H2Te molecule. The potential energy function has been calculated ab initio at a total of 334 molecular geometries by means of the CCSD(T) method where the (1s-4f) core electrons of Te were described by an effective core potential. The values of the potential energy function obtained cover the region up to around 10,000/cm above the equilibrium energy. On the basis of the ab initio potential, the rotation-vibration energy spectra of H2Te-130 and its deuterated isotopomers have been calculated with the MORBID (Morse Oscillator Rigid Bender Internal Dynamics) Hamiltonian and computer program. In particular, we have calculated the rotational energy manifolds for J less than or = 40 in the vibrational ground state, the upsilon(sub 2) state, the "first triad" (the upsilon(sub l)/upsilon(sub 3)/2upsilon(sub 2) interacting vibrational states), and the "second triad" (the upsilon(sub 1) + upsilon(sub 2/upsilon(sub 2) + upsilon(sub 3)/3upsilon(sub 2) states) of H2Te-130. We find that the cluster formation in H2Te is very similar to those of of H2Se and H2S, which we have studied previously. However, contrary to semiclassical predictions, we do not determine any significant displacement of the clusters towards lower J values relative to H2Se. Hence the experimental observation of the cluster states in H2Te will be at least as difficult as in H2Se.

Jensen, Per↗

Microwave Spectroscopy of Complex Molecules Around the Young Protostar Chamaeleon MMS1

Observations are presented of emission lines from organic molecules at frequencies 30-100 GHz in the vicinity of the extremely young, chemically rich, very low-luminosity protostar and candidate first hydrostatic core Chamaeleon MMS1. Column densities are derived and emission maps are presented for species including polyynes, cyanopolyynes, sulphuretted carbon-chains and methanol. Emission from the carbon-chain-bearing species peaks very near to the protostar; methanol peaks about 0.1 pc further away. The mean molecular hydrogen number density is calculated to be 10(exp 6) per cc. and the gas kinetic temperature is in the range 4-7 K. The abundances of long carbon chains (including C6H and HC7N) are very large -- similar to those found in the most carbon-chain-rich regions of the Galaxy, and indicative of a non-equilibrium carbon chemistry. The observed methanol and acetaldehyde abundances indicate active grain-surface chemistry and desorption processes. The carbon-chain anions C4H- and C6H- were not detected and the upper limit on the anion-to-neutral ratio for C4H- is less than 0.02% and for C6H-, less than 10%. These values are consistent with previous observations in interstellar clouds and low-mass protostars. Deuterated HC3N and c-C3H2 were detected, with fractionation ratios of about 4%, and 22%, respectively. A low c-C3H2 ortho-to-para ratio was measured, which is consistent with a molecular hydrogen ortho-to-para ratio of close to zero and implies a relatively young chemical age (less than about 10(exp 5) yr) for the matter surrounding Cha-MMS1. These observations show that a high level of chemical complexity can be present in star-forming gas.

Cordiner, Martin A.↗

Global Assessment of Land Surface Temperature From Geostationary Satellites and Model Estimates

Land surface (or 'skin') temperature (LST) lies at the heart of the surface energy balance and is a key variable in weather and climate models. In this research we compare two global and independent data sets: (i) LST retrievals from five geostationary satellites generated at the NASA Langley Research Center (LaRC) and (ii) LST estimates from the quasi-operational NASA GEOS-5 global modeling and assimilation system. The objective is to thoroughly understand both data sets and their systematic differences in preparation for the assimilation of the LaRC LST retrievals into GEOS-5. As expected, mean differences (MD) and root-mean-square differences (RMSD) between modeled and retrieved LST vary tremendously by region and time of day. Typical (absolute) MD values range from 1-3 K in Northern Hemisphere mid-latitude regions to near 10 K in regions where modeled clouds are unrealistic, for example in north-eastern Argentina, Uruguay, Paraguay, and southern Brazil. Typically, model estimates of LST are higher than satellite retrievals during the night and lower during the day. RMSD values range from 1-3 K during the night to 2-5 K during the day, but are larger over the 50-120 W longitude band where the LST retrievals are derived from the FY2E platform

Reichle, Rolf H.↗

Liquid Phase Modeling in Porous Media: Adsorption of Methanol and Ethanol in H-MFI in Condensed Water

Zeolites are used in the chemical and separation industries for their exceptional selectivity, adsorption capacity, regenerability, and stability in gas and liquid phase processing. Here, we developed an explicit solvation method for predicting solvent/condensed phase effects on adsorption free energies in microporous media such as zeolites based on the hybrid quantum mechanical/molecular mechanical free energy perturbation (QM/MM-FEP) technique. Our explicit solvation method for zeolite systems, called eSZS, aims to capture site-specific interactions during the adsorption process at the Brønsted acid sites of H-MFI zeolite while still considering the diverse configuration space of the solvent molecules. This strategy is ideal for chemical reactions or adsorbates that interact with the microporous medium in few distinct adsorbate/transition state configurations, i.e., the harmonic or similar approximations are acceptable for the adsorbate/transition state while such approximations break down for the solvent molecules that require extensive configuration space sampling. In this way, our approach effectively overcomes the limitations of implicit solvation models and classical force field methods for describing solvation effects on chemical reactions within porous materials such as zeolites. Specifically, in this study, we investigated various aspects of our hybrid QM/MM approach, including QM cluster size dependencies in a periodic electrostatically embedded cluster model (PEECM), rules for link atoms at the QM/MM boundary, and functional and basis set considerations for converged and reasonably accurate gas and aqueous phase methanol and ethanol adsorption free energy predictions in H-MFI. For gas phase adsorption of methanol and ethanol in H-MFI at a Brønsted acid site in T12 position, we compute adsorption free energies at 298 K of −0.61 and −0.75 eV, respectively, using a PEECM containing 50 Si and 1 Al atom with ωB97x-D/def2-TZVP level of theory. For solvent effect calculations, we sample the aqueous phase using grand canonical Monte Carlo (GCMC) simulations to (1) obtain a mean field of electrostatic interactions in the reaction system and (2) perform a rigorous free energy perturbation calculation. Similar to the experimentally and computationally observed endergonic solvation effects observed for hydrocarbon adsorption on metal surfaces, we also observe that a condensed aqueous environment destabilizes methanol and ethanol at these acid sites in H-MFI at 298 K. Specifically, the computed solvation free energies of adsorption (ΔΔG solv ) for methanol and ethanol are +0.44 and +0.54 eV, respectively. From this study, it is evident that adsorbates (methanol and ethanol) are competing with water for adsorption space inside the H-MFI zeolite, leading to an endergonic solvation effect. Here, we expect that the endergonic, aqueous solvent effect during adsorption in microporous zeolites is highly tunable by changing the pore size and hydrophobicity of the microporous material as this will affect the water density inside the pore structure.

Adsorption↗

Out-of-time ordered correlation functions for the localized 𝑓 electrons in the Falicov-Kimball model

We provide an exact evaluation of the out-of-time correlation (OTOC) functions for the localized 𝑓-particle states in the Falicov-Kimball model within dynamical mean-field theory. Different regimes of quantum chaos and quantum scrambling are distinguished by the winding numbers of the block Toeplitz matrices used in the calculation. The similarities of these fermionic OTOCs and their logarithmic derivatives for time evolution with the OTOCs for quantum spin models with disorder are also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Kinetic description of site ensembles on catalytic surfaces

Significance The kinetic assessment of catalytic reactions is essential to the design and application of thermochemical processes useful in petrochemical synthesis, energy conversion, and environmental remediation. We demonstrate that the ubiquitously used Langmuir–Hinshelwood formalism is incomplete and fails to correctly describe even simple catalytic reactions (e.g., A + A → A 2 ). An accurate kinetic description requires explicit rate equations for multisite configurations (e.g., A*–A* pairs) to account for the nonrandom clustering/isolation of surface species. We rigorously describe clustering/isolation phenomena by derivation of coverage-dependent stoichiometric coefficients, which capture the distinct influence each elementary step exerts on each catalytic site ensemble—thereby overcoming limitations of the mean-field (i.e., Hinshelwood) assumption in describing reactions of mobile Langmuirian adsorbates on catalytic surfaces.

36 MATERIALS SCIENCE↗

Mind-the-gap - Part III: Doppler velocity measurements from space

Convective motions and hydrometeors microphysical properties are highly sought-after parameters for evaluating atmospheric numerical models. With most of the Earth's surface covered by water, space-borne Doppler radars are ideal for acquiring such measurements at a global scale. While these systems have proven to be useful tools for retrieving cloud microphysical and dynamical properties from the ground, their adequacy, and specific requirements for spaceborne operation still need to be evaluated. Comprehensive forward simulations enable us to assess the advantages and drawbacks of six different Doppler radar architectures currently planned or under consideration by space agencies for the study of cloud dynamics. Radar performance is examined against state-of-the-art numerical model simulations of well-characterized shallow and deep, continental, and oceanic convective cases. Mean Doppler velocity (MDV) measurements collected at multiple frequencies (13, 35 and 94 GHz) provide complementary information in deep convective cloud systems. The high penetration capability of the 13-GHz radar enables to obtain a complete, albeit horizontally under-sampled, view of deep convective storms. The smaller instantaneous field of view (IFOV) of the 35-GHz radar captures more precise information about the location and size of convective updrafts above 5-8 km height of most systems which was determined is the portion of storms where the mass flux peak is typically located. Finally, the lower mean Doppler velocity uncertainty of displaced phase center antenna (DPCA) radars makes them an ideal system for studying microphysics in shallow convection and frontal systems, as well as ice and mixed-phase clouds. It is demonstrated that a 94-GHz DCPA system can achieve retrieval errors as low as 0.05-0.15 mm for raindrop volume-weighted mean diameter and 25% for rime fraction (for a -10 dBZ echo).

54 ENVIRONMENTAL SCIENCES↗