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At least 1,351 records · Page 75

Desolvation Processes in Channel Solvates of Niclosamide

The antiparasitic drug niclosamide (NCL) is notable for its ability to crystallize in multiple 1:1 channel solvate forms, none of which are isostructural. Here, using a combination of time-resolved synchrotron powder X-ray diffraction and thermogravimetry, the process-induced desolvation mechanisms of methanol and acetonitrile solvates are investigated. Structural changes in both solvates follow a complicated molecular-level trajectory characterized by a sudden shift in lattice parameters several degrees below the temperature where the desolvated phase first appears. Model fitting of kinetic data obtained under isothermal heating conditions suggests that the desolvation is rate-limited by the nucleation of the solvent-free product. The desolvation pathways identified in these systems stand in contrast to previous investigations of the NCL channel hydrate, where water loss by diffusion initially yields an anhydrous isomorph that converts to the thermodynamic polymorph at significantly higher temperatures. Taking the view that each solvate lattice is a unique “pre-organized” precursor, a comparison of the pathways from different starting topologies to the same final product provides the opportunity to reevaluate assumptions of how various factors (e.g., solvent binding strength, density) influence solid-state desolvation processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Novel Membrane-Associated Protein Aids Bacterial Colonization of Maize

The soil environment affected by plant roots and their exudates, termed the rhizosphere, significantly impacts crop health and is an attractive target for engineering desirable agricultural traits. Engineering microbes in the rhizosphere is one approach to improving crop yields that directly minimizes the number of genetic modifications made to plants. Soil microbes have the potential to assist with nutrient acquisition, heat tolerance, and drought response if they can persist in the rhizosphere in the correct numbers. Unfortunately, the mechanisms by which microbes adhere and persist on plant roots are poorly understood, limiting their application. This study examined the membrane proteome shift upon adherence to roots in two bacteria of interest, Klebsiella variicola and Pseudomonas putida. From this surface proteome data, we identified a novel membrane protein from a non-laboratory isolate of P. putida that increases binding to maize roots using unlabeled proteomics. When this protein was moved from the environmental isolate to a common lab strain (P. putida KT2440), we observed increased binding capabilities of P. putida KT2440 to both abiotic mimic surfaces and maize roots. We observed a similar increased binding capability to maize roots when the protein was heterologously expressed in K. variicola and Stutzerimonas stutzeri. With the discovery of this novel binding protein, we outline a strategy for harnessing natural selection and wild isolates to build more persistent strains of bacteria for field applications and plant growth promotion.

rhizosphere, colonization, membrane proteome, plan↗

Gene-informed decomposition model predicts lower soil carbon loss due to persistent microbial adaptation to warming

Abstract Soil microbial respiration is an important source of uncertainty in projecting future climate and carbon (C) cycle feedbacks. However, its feedbacks to climate warming and underlying microbial mechanisms are still poorly understood. Here we show that the temperature sensitivity of soil microbial respiration ( Q 10 ) in a temperate grassland ecosystem persistently decreases by 12.0 ± 3.7% across 7 years of warming. Also, the shifts of microbial communities play critical roles in regulating thermal adaptation of soil respiration. Incorporating microbial functional gene abundance data into a microbially-enabled ecosystem model significantly improves the modeling performance of soil microbial respiration by 5–19%, and reduces model parametric uncertainty by 55–71%. In addition, modeling analyses show that the microbial thermal adaptation can lead to considerably less heterotrophic respiration (11.6 ± 7.5%), and hence less soil C loss. If such microbially mediated dampening effects occur generally across different spatial and temporal scales, the potential positive feedback of soil microbial respiration in response to climate warming may be less than previously predicted.

54 ENVIRONMENTAL SCIENCES↗

K-Shell photoabsorption in Si 11+ : Relativistic contributions via Breit-Pauli R-matrix calculations

As a part of the investigation of the entire Si isonuclear sequence for x-ray spectral diagnostics, we focus on the Li-like Si 11+ ion, a stable component that features prominently in x-ray astrophysical spectra. In this work, we perform R-matrix calculations for the photoabsorption cross section of Si 11+ including relativistic contributions via the use of a Breit-Pauli Hamiltonian. Relativistic effects—predominantly spin-orbit splitting of resonances and mass-velocity and one-body Darwin global shifts of energies— are shown to be tractable and of importance for accuracy in x-ray spectral modeling data banks.

74 ATOMIC AND MOLECULAR PHYSICS↗

Astrophysical observations of a dark matter-Baryon fifth force

We consider the effects of an attractive, long-range Yukawa interaction between baryons and dark matter (DM), focusing in particular on temperature and pulsar timing observations of neutron stars (NSs). We show that such a fifth force, with strength modestly stronger than gravity at ranges greater than tens of kilometers (corresponding to mediator masses less than 10 -11 eV), can dramatically enhance dark matter kinetic heating, capture, and pulsar timing Doppler shifts relative to gravity plus short range interactions alone. Using the coldest observed NS and pulsar timing array (PTA) data, we derive limits on fifth force strength over a DM mass range spanning light dark matter up to order solar mass composite DM objects. We also consider an indirect limit by combining bullet cluster limits on the DM self-interaction with weak equivalence principle test limits on baryonic self-interactions. Furthermore, we find the combined indirect limits are moderately stronger than kinetic heating and PTA limits, except when considering a DM subcomponent.

79 ASTRONOMY AND ASTROPHYSICS↗

Using onset times from frequent seismic surveys to understand fluid flow at the Peace River Field, Canada

With our limited knowledge of the relationship between changes in the state of an aquifer or reservoir and the corresponding changes in the elastic moduli, that is the rock physics model, hampers the effective use of time-lapse seismic observations for estimating flow properties within the Earth. A central problem is the complicated dependence of the magnitude of time-lapse changes on the saturation, pressure, and temperature changes within an aquifer or reservoir. We describe an inversion methodology for reservoir characterization that uses onset times, the calendar time of the change in seismic attributes, rather than the magnitude of the changes. We find that onset times are much less sensitive than magnitudes to the rock physics model used to relate time-lapse observations to changes in saturation, temperature and fluid pressure. We apply the inversion scheme to observations from daily monitoring of enhanced oil recovery at the Peace River field in Canada. An array of 1492 buried hydrophones record seismic signals from 49 buried sources. Time-shifts for elastic waves traversing the reservoir are extracted from the daily time-lapse cubes. In our analysis 175 images of time-shifts are transformed into a single map of onset times, leading to a substantial reduction in the volume of data. These observations are used in conjunction with bottom hole pressure data to infer the initial conditions prior to the injection, and to update the reservoir permeability model. The combination of a global and local inversion scheme produces a collection of reservoir models that are best described by three clusters. The updated model leads to a nearly 70 percent reduction in seismic data misfit. The final set of solutions successfully predict the observed normalized pressure history during the soak and flow-back into the wells between 82 and 175 days into the cyclic steaming operation.

58 GEOSCIENCES↗

Tropical root responses to global changes: A synthesis

Tropical ecosystems face escalating global change. These shifts can disrupt tropical forests' carbon (C) balance and impact root dynamics. Since roots perform essential functions such as resource acquisition and tissue protection, root responses can inform about the strategies and vulnerabilities of ecosystems facing present and future global changes. However, root trait dynamics are poorly understood, especially in tropical ecosystems. We analyzed existing research on tropical root responses to key global change drivers: warming, drought, flooding, cyclones, nitrogen (N) deposition, elevated (e) CO 2 , and fires. Based on tree species- and community-level literature, we obtained 266 root trait observations from 93 studies across 24 tropical countries. We found differences in the proportion of root responsiveness to global change among different global change drivers but not among root categories. In particular, we observed that tropical root systems responded to warming and eCO 2 by increasing root biomass in species-scale studies. Drought increased the root: shoot ratio with no change in root biomass, indicating a decline in aboveground biomass. Despite N deposition being the most studied global change driver, it had some of the most variable effects on root characteristics, with few predictable responses. Episodic disturbances such as cyclones, fires, and flooding consistently resulted in a change in root trait expressions, with cyclones and fires increasing root production, potentially due to shifts in plant community and nutrient inputs, while flooding changed plant regulatory metabolisms due to low oxygen conditions. The data available to date clearly show that tropical forest root characteristics and dynamics are responding to global change, although in ways that are not always predictable. This synthesis indicates the need for replicated studies across root characteristics at species and community scales under different global change factors.

54 ENVIRONMENTAL SCIENCES↗

Multi-INT Signature Collection and Exploitation for Security Los Alamos LDRD Report

This project demonstrates the feasibility of a 2-D passive tracking capability for ground-based and airborne moving sources using multi-INT signal processing of acoustic and seismic signals. We leveraged the recent DDSTE-supported investment in rapid deployable sensors (the Los Alamos Rapid-deployable Sensor Array—LARSA), and used uncrewed aerial vehicles (UAV) as a data source. Moving source types are characterized by their variability with time (exemplified but not limited to the Doppler shift of a passing vehicle) and the signatures used for detection should have similar characteristics. We have demonstrated that time-varying sensor signatures (TVS) combined with time-stable sensor signatures provide a more complete understanding of moving source behavior and drive towards path prediction. Importantly, we have collected a new, relevant LANL dataset of moving sources (small UAV flights and vehicle movement), developed new signatures, and demonstrated a capability to identify, track and forecast the position of TVS.

42 ENGINEERING↗

Biomining Critical Elements and Metals

The US government has identified 17 critical elements, including most rare earth elements (REEs), and metals, which are used extensively in consumer electronics as well as military and national security hardware. We are developing techniques for biomining these elements, the process of using microorganisms to extract critical elements from water, ores, and mine waste to fill these needs. Bioextraction is focusing on: 1) building on our first-year successes of identifying microbes that generate exudates that enhance the extraction of multivalent cations, 2) evaluating available phosphate solubilizing microbes to dissolve apatite and monazite, and 3) and biosurfactant producing microbes. Bioaccumulation efforts involves testing microbes that: 1) naturally release complex exudates that contain organic chelating agents, and 2) naturally accumulate or hyperaccumulate (wt-% levels) metals. Results from year one includes proof of concept that biosurfactant producing microorganisms can release REEs from select ores and that release of REEs is increased by the addition of glucose. Molecular results for microorganism profiling proved a population shift after addition of microorganisms. The study will culminate in a proof-of-concept demonstration, manuscripts, and the data needed for scaledup biomining of REEs.

36 MATERIALS SCIENCE↗

Data processing method for a weak, moving telemetry signal

Method of processing data from a spacecraft, where the carrier has a low signal-to-noise ratio and wide unpredictable frequency shifts, consists of analogue recording of the noisy signal along with a high-frequency tone that is used as a clock to trigger a digitizer.

Kendall, W. B.↗

Radiative lifetimes and band oscillator strengths for metal oxides. II - SiO E 1 Sigma /+/-X 1 Sigma /+/

Use of an electron-beam phase-shift apparatus to obtain the radiative lifetimes for vibrational levels of the SiO E 1 Sigma (+) state. It is found that the radiative lifetimes for the vibrational transitions of the E-X band are independent of the vibrational upper state. The measured phase shifts yield cascade free lifetimes of 10.5 plus or minus 1.1 nsec for v' from 1 to 7. Spectroscopic data from Elander and Lagerqvist (1971) were used to calculate potential curves by the Klein-Dunham procedure, and Franck-Condon factors and r-centroids for the transition were computed.

Elander, N.↗

Albedo distribution on Io's surface

A visual albedo distribution model for all hemispheres of Io's surface has been synthesized from available earth-based and spacecraft image and photometric data. The resulting model indicates some interesting patterns and symmetries on Io's surface: the dark polar caps are shifted off Io's rotational axis and are elliptical rather than circular in shape, with extensions toward the sub-Jupiter and anti-Jupiter points on Io; equatorial bright areas are located approximately on a great circle about Io, the plane of which is tilted approximately 15 deg toward Io longitude 60 deg. These and other indicated features may be clues to understanding the endogenic and exogenic processes that have resulted in Io's present observed surface characteristics.

Nash, D. B.↗

Conversion and matched filter approximations for serial minimum-shift keyed modulation

Serial minimum-shift keyed (MSK) modulation, a technique for generating and detecting MSK using series filtering, is ideally suited for high data rate applications provided the required conversion and matched filters can be closely approximated. Low-pass implementations of these filters as parallel inphase- and quadrature-mixer structures are characterized in this paper in terms of signal-to-noise ratio (SNR) degradation from ideal and envelope deviation. Several hardware implementation techniques utilizing microwave devices or lumped elements are presented. Optimization of parameter values results in realizations whose SNR degradation is less than 0.5 dB at error probabilities of .000001.

Ziemer, R. E.↗

Time synchronization of a frequency-hopped MFSK communication system

In a frequency-hopped (FH) multiple-frequency-shift-keyed (MFSK) communication system, frequency hopping causes the necessary frequency transitions for time synchronization estimation rather than the data sequence as in the conventional (nonfrequency-hopped) system. Making use of this observation, this paper presents a fine synchronization (i.e., time errors of less than a hop duration) technique for estimation of FH timing. The performance degradation due to imperfect FH time synchronization is found in terms of the effect on bit error probability as a function of full-band or partial-band noise jamming levels and of the number of hops used in the FH timing estimate.

Simon, M. K.↗

Aperture plane potential control for thermal ion measurements

The effects produced by the addition of an aperture plane to control the bias around an instrument for low-energy ion measurements on satellites collecting data in the plasmasphere and over the polar cap are analyzed. The analysis is based on the design and functions of the retarding ion mass spectrometer (RIMS) on the DE 1 satellite. The NASA Charging Analyzer Program, which treats the spacecraft as a cylinder, was used to generate one set of predictions. A second model involves solution of the Laplace equation with the spacecraft treated as a sphere. Both models were used to predict the barrier height expected at the aperture in response to the bias induced to offset the potential. Comparisons with plasma data show that in the thin sheath regime of the plasmasphere the detectors act as if the potential is shifted, thereby lowering the energy resolution of the instrument. Outside the plasmasphere the barrier height dominates the spin curve variations more than the potential. Partial potential control is available from induced bias apertures if control is active and guided by electron detectors with sensitivities in the 0.5-50.0 eV energy range.

Olsen, R. C.↗

A self diagnostic system for piezoelectric sensors

A technique for determining the mounting conditions of a piezoelectric accelerometer is presented. This technique electrically stimulates the piezoelectric element in the 'diagnostic' frequency band measuring the electrical frequency response characteristics across a capacitive load impedance. The diagnostic frequency band is tipically much higher than the operating bandwidth of the accelerometer. The resonant frequencies of the accelerometer are included in the diagnostic band. By monitoring the shift in these resonant frequencies, via electrical stimulation techniques, certain diagnostic conditions including mounting conditions can be determined. Experimental data from a compression mode accelerometer is used to demonstrate this technique.

Atherton, William J.↗

Laboratory studies of wave-current interaction - Kinematics of the strong interaction

Controlled laboratory experiments have been conducted to study the kinematics of wave-current interactions. The results confirm the conservation of waves under the steady state condition. The data also show that the kinematic effect of the current on waves can be treated as a simple Doppler shift. After the Doppler correction, the kinematics of the waves (either breaking or nonbreaking) follow the linear theory very well.

Lai, Ronald J.↗

Signal processing of aircraft flyover noise

A detailed analysis of signal processing concerns for measuring aircraft flyover noise is presented. Development of a de-Dopplerization scheme for both corrected time history and spectral data is discussed along with an analysis of motion effects on measured spectra. A computer code was written to implement the de-Dopplerization scheme. Input to the code is the aircraft position data and the pressure time histories. To facilitate ensemble averaging, a uniform level flyover is considered but the code can accept more general flight profiles. The effects of spectral smearing and its removal is discussed. Using data acquired from XV-15 tilt rotor flyover test comparisons are made showing the measured and corrected spectra. Frequency shifts are accurately accounted for by the method. It is shown that correcting for spherical spreading, Doppler amplitude, and frequency can give some idea about source directivity. The analysis indicated that smearing increases with frequency and is more severe on approach than recession.

Kelly, Jeffrey J.↗