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Results for “functional containment”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Effects of Sulfate Reduction on Trichloroethene Dechlorination by Dehalococcoides-Containing Microbial Communities

Here, in order to elucidate interactions between sulfate reduction and dechlorination, we systematically evaluated the effects of different concentrations of sulfate and sulfide on reductive dechlorination by isolates, constructed consortia, and enrichments containing Dehalococcoides sp. Sulfate (up to 5 mM) did not inhibit the growth or metabolism of pure cultures of the dechlorinator Dehalococcoides mccartyi 195, the sulfate reducer Desulfovibrio vulgaris Hildenborough, or the syntroph Syntrophomonas wolfei. In contrast, sulfide at 5 mM exhibited inhibitory effects on growth of the sulfate reducer and the syntroph, as well as on both dechlorination and growth rates of D. mccartyi. Transcriptomic analysis of D. mccartyi 195 revealed that genes encoding ATP synthase, biosynthesis, and Hym hydrogenase were downregulated during sulfide inhibition, whereas genes encoding metal-containing enzymes involved in energy metabolism were upregulated even though the activity of those enzymes (hydrogenases) was inhibited. When the electron acceptor (trichloroethene) was limiting and an electron donor (lactate) was provided in excess to cocultures and enrichments, high sulfate concentrations (5 mM) inhibited reductive dechlorination due to the toxicity of generated sulfide. The initial cell ratio of sulfate reducers to D. mccartyi (1:3, 1:1, or 3:1) did not affect the dechlorination performance in the presence of sulfate (2 and 5 mM). Finally, in contrast, under electron donor limitation, dechlorination was not affected by sulfate amendments due to low sulfide production, demonstrating that D. mccartyi can function effectively in anaerobic microbial communities containing moderate sulfate concentrations (5 mM), likely due to its ability to outcompete other hydrogen-consuming bacteria and archaea.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1991

Experiment module/support module interface specification for the reusable reentry satellite

This Interface Specification (IFS) identifies, defines, and controls the interface between the Reusable Reentry Satellite (RRS) Vehicle (RRV) Experiment Module (EM) and the Support Module (SM) equipment. Contained in this specification are the physical, functional, and environmental interface requirements for the SM and EM. This specification is tailored to the unique requirements of the EM associated with the Rodent Module. The addenda to this specification contain the requirements for alternate EM's.

Source record↗
DOE OSTI2019

A method for smoothing multiple yield functions

A method is presented that produces a single C 2 differentiable and convex yield function from a plastic model that contains multiple yield surfaces that are individually C 2 differentiable and convex. The method is suitable for implementation in numerical computer codes. Here, the error incurred through the smoothing procedure is quantified. The method is illustrated through a number of examples. Two simple finite-element models are solved to compare this method with existing approaches.

42 ENGINEERING↗
DOE OSTI2015

Isothiocyanate-Functionalized Bifunctional Chelates and fac -[M I (CO) 3 ] + (M = Re, 99m Tc) Complexes for Targeting uPAR in Prostate Cancer

Developing new strategies to rapidly incorporate the fac-[MI(CO) 3 ] + . (M = Re, 99m Tc) core into biological targeting vectors in radiopharmaceuticals continues to expand as molecules become more complex and as efforts to minimize nonspecific binding increase. This work examines a novel isothiocyanate-functionalized bifunctional chelate based on 2,2'-dipicolylamine (DPA) specifically designed for complexing the fac-[MI(CO) 3 ] + . core. Two strategies (postlabeling and prelabeling) were explored using the isothiocyanate-functionalized DPA to determine the effectiveness of assembly on the overall yield and purity of the complex with amine containing biomolecules. A model amino acid (lysine) examined (1) amine conjugation of isothiocyanate-functionalized DPA followed by complexation with fac-[MI(CO) 3 ] + . (postlabeling) and (2) complexation of fac-[MI(CO) 3 ] + . with isothiocyanate-functionalized DPA followed by amine conjugation (prelabeling). Conducted with stable Re and radioactive 99m Tc analogs, both strategies formed the product in good to excellent yields under macroscopic and radiotracer concentrations. A synthetic peptide (AE105) which targets an emerging biomarker in CaP prognosis, urokinase-type plasminogen activator receptor (uPAR), was also explored using the isothiocyanate-functionalized DPA strategy. In vitro PC-3 (uPAR+) cell uptake assays with the 99m Tc-labeled peptide (8a) showed 4.2 ± 0.5% uptake at 4 h. In a murine model bearing PC-3 tumor xenografts, in vivo biodistribution of 8a led to favorable tumor uptake (3.7 ± 0.7% ID/g) at 4 h p.i. with relatively low accumulation (<2% ID/g) in normal organs not associated with normal peptide excretion. These results illustrate the promise of the isothiocyanate-functionalized approach for labeling amine containing biological targeting vectors with fac-[MI(CO) 3 ] + .

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2015

Used nuclear fuel dry storage cask materials monitoring system: a proof of concept to deploy retrieve monitoring equipment - 15504

The cask materials monitoring system is a proof-of-concept to deploy and retrieve monitoring equipment. The system is an airlock-type system that is bolted to the cask fill/drain port. It consists of the following major components: (1) a monitoring module that contains the equipment for monitoring the cask environment, (2) a sliding shield plug that provides radiation shielding throughout the deployment and retrieval of the monitoring equipment module, (3) a primary seal flange that is permanently installed on the cask that provides cask boundary confinement, and (4) a containment tube that provides the airlock function providing cask confinement when the primary seal is broken. In this proof-of-concept development, corrosion coupons were selected as the monitoring equipment for deployment into a spent nuclear fuel cask. However, the system has the potential for a variety of uses. The integration of a camera deployment system into the cask materials monitoring system will permit inspection of used nuclear fuel while maintaining cask atmosphere. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2013

Improved exome prioritization of disease genes through cross-species phenotype comparison

Numerous new disease-gene associations have been identified by whole-exome sequencing studies in the last few years. However, many cases remain unsolved due to the sheer number of candidate variants remaining after common filtering strategies such as removing low quality and common variants and those deemed unlikely to be pathogenic (non-coding, not affecting splicing, synonymous or missense mutations annotated as non-pathogenic by prediction algorithms). The observation that each of our genomes contains about 100 genuine loss of function variants with ~20 genes completely inactivated makes identification of the causative mutation problematic when using these strategies alone. In some cases it may be possible to use multiple affected individuals, linkage data, identity-by-descent inference, de novo heterozygous mutations from trio analysis, or prior knowledge of affected pathways to narrow down to the causative variant. In cases where this is not possible or has proven unsuccessful we propose using the wealth of genotype to phenotype data that already exists from model organism studies to assess the potential impact of these exome variants. Here, we introduce PHenotypic Interpretation of Variants in Exomes (PHIVE), an algorithm that integrates the calculation of phenotype similarity between human diseases and genetically modified mouse models with evaluation of the variants according to allele frequency, pathogenicity and mode of inheritance approaches in our Exomiser tool. Large-scale validation of PHIVE analysis using 100,000 exomes containing known mutations demonstrated a substantial improvement (up to 54.1 fold) over purely variant-based (frequency and pathogenicity) methods with the correct gene recalled as the top hit in up to 83% of samples, corresponding to an area under the ROC curve of over 95%. We conclude that incorporation of phenotype data can play a vital role in translational bioinformatics and propose that exome sequencing projects should systematically capture clinical phenotypes to take advantage of the strategy presented here.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Dosimetric and geometric evaluation of a novel stereotactic radiotherapy device for breast cancer: The GammaPod Trade-Mark-Sign

Purpose: A dedicated stereotactic gamma irradiation device, the GammaPod Trade-Mark-Sign from Xcision Medical Systems, was developed specifically to treat small breast cancers. This study presents the first evaluation of dosimetric and geometric characteristics from the initial prototype installed at University of Maryland Radiation Oncology Department. Methods: The GammaPod Trade-Mark-Sign stereotactic radiotherapy device is an assembly of a hemi-spherical source carrier containing 36 {sup 60}Co sources, a tungsten collimator, a dynamically controlled patient support table, and the breast immobilization system which also functions as a stereotactic frame. The source carrier contains the sources in six columns spaced longitudinally at 60 Degree-Sign intervals and it rotates together with the variable-size collimator to form 36 noncoplanar, concentric arcs focused at the isocenter. The patient support table enables motion in three dimensions to position the patient tumor at the focal point of the irradiation. The table moves continuously in three cardinal dimensions during treatment to provide dynamic shaping of the dose distribution. The breast is immobilized using a breast cup applying a small negative pressure, where the immobilization cup is embedded with fiducials also functioning as the stereotactic frame for the breast. Geometric and dosimetric evaluations of the system as well as a protocol for absorbed dose calibration are provided. Dosimetric verifications of dynamically delivered patient plans are performed for seven patients using radiochromic films in hypothetical preop, postop, and target-in-target treatment scenarios. Results: Loaded with 36 {sup 60}Co sources with cumulative activity of 4320 Ci, the prototype GammaPod Trade-Mark-Sign unit delivers 5.31 Gy/min at the isocenter using the largest 2.5 cm diameter collimator. Due to the noncoplanar beam arrangement and dynamic dose shaping features, the GammaPod Trade-Mark-Sign device is found to deliver uniform doses to targets with good conformity. The spatial accuracy of the device to locate the radiation isocenter is determined to be less than 1 mm. Single shot profiles with 2.5 cm collimator are measured with radiochromic film and found to be in good agreement with respect to the Monte Carlo based calculations (congruence of FWHM less than 1 mm). Dosimetric verifications corresponding to all hypothetical treatment plans corresponding to three target scenarios for each of the seven patients demonstrated good agreement with gamma index pass rates of better than 97% (99.0%{+-} 0.7%). Conclusions: Dosimetric evaluation of the first GammaPod Trade-Mark-Sign stereotactic breast radiotherapy unit was performed and the dosimetric and spatial accuracy of this novel technology is found to be feasible with respect to clinical radiotherapy standards. The observed level of agreement between the treatment planning system calculations and dosimetric measurements has confirmed that the system can deliver highly complex treatment plans with remarkable geometric and dosimetric accuracy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

Potential of hybrid functionalized meso-porous materials for the separation and immobilization of radionuclides

Functionalized meso-porous materials are a class of hybrid organic-inorganic material in which a meso-porous metal oxide framework is functionalized with multifunctional organic molecules. These molecules may contain one or more anchor groups that form strong bonds to the pore surfaces of the metal oxide framework and free functional groups that can impart and or modify the functionality of the material such as for binding metal ions in solution. Such materials have been extensively studied over the past decade and are of particular interest in absorption applications because of the tremendous versatility in choosing the composition and architecture of the metal oxide framework and the nature of the functional organic molecule as well as the efficient mass transfer that can occur through a well-designed hierarchically porous network. A sorbent for nuclear applications would have to be highly selective for particular radio nuclides, it would need to be hydrolytically and radiolytically stable, and it would have to possess reasonable capacity and fast kinetics. The sorbent would also have to be available in a form suitable for use in a column. Finally, it would also be desirable if once saturated with radio nuclides, the sorbent could be recycled or converted directly into a ceramic or glass waste form suitable for direct repository disposal or even converted directly into a material that could be used as a transmutation target. Such a cradle-to- grave strategy could have many benefits in so far as process efficiency and the generation of secondary wastes are concerned.This paper will provide an overview of work done on all of the above mentioned aspects of the development of functionalized meso-porous adsorbent materials for the selective separation of lanthanides and actinides and discuss the prospects for future implementation of a cradle-to-grave strategy with such materials. (author)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

The molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory: The DEC-RI-MP2 gradient

We report an implementation of the molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory (DEC-RI-MP2). The new DEC-RI-MP2 gradient method combines the precision control as well as the linear-scaling and massively parallel features of the DEC scheme with efficient evaluations of the gradient contributions using the RI approximation. We further demonstrate that the DEC-RI-MP2 gradient method is capable of calculating molecular gradients for very large molecular systems. A test set of supramolecular complexes containing up to 158 atoms and 1960 contracted basis functions has been employed to demonstrate the general applicability of the DEC-RI-MP2 method and to analyze the errors of the DEC approximation. Moreover, the test set contains molecules of complicated electronic structures and is thus deliberately chosen to stress test the DEC-RI-MP2 gradient implementation. Additionally, as a showcase example the full molecular gradient for insulin (787 atoms and 7604 contracted basis functions) has been evaluated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Modulational instability of a Langmuir wave in plasmas with energetic tails of superthermal electrons

The impact of superthermal electrons on dispersion properties of isotropic plasmas and on the modulational instability of a monochromatic Langmuir wave is studied for the case when the power-law tail of the electron distribution function extends to relativistic velocities and contains most of the plasma kinetic energy. Such an energetic tail of electrons is shown to increase the thermal correction to the Langmuir wave frequency, which is equivalent to the increase of the effective electron temperature in the fluid approach, and has almost no impact on the dispersion of ion-acoustic waves, in which the role of temperature is played by the thermal spread of low-energy core electrons. It is also found that the spectrum of modulational instability in the non-maxwellian plasma narrows significantly, as compared to the equilibrium case, without change of the maximum growth rate and the corresponding wavenumber.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Physical and behavioral adaptations to prevent overheating of the living wings of butterflies

The wings of Lepidoptera contain a matrix of living cells whose function requires appropriate temperatures. However, given their small thermal capacity, wings can overheat rapidly in the sun. Here we analyze butterfly wings across a wide range of simulated environmental conditions, and find that regions containing living cells are maintained at cooler temperatures. Diverse scale nanostructures and non-uniform cuticle thicknesses create a heterogeneous distribution of radiative cooling that selectively reduces the temperature of structures such as wing veins and androconial organs. These tissues are supplied by circulatory, neural and tracheal systems throughout the adult lifetime, indicating that the insect wing is a dynamic, living structure. Behavioral assays show that butterflies use wings to sense visible and infrared radiation, responding with specialized behaviors to prevent overheating of their wings. Our work highlights the physiological importance of wing temperature and how it is exquisitely regulated by structural and behavioral adaptations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Conservation of the structure and function of bacterial tryptophan synthases

Tryptophan biosynthesis is one of the most characterized processes in bacteria, in which the enzymes from Salmonella typhimurium and Escherichia coli serve as model systems. Tryptophan synthase (TrpAB) catalyzes the final two steps of tryptophan biosynthesis in plants, fungi and bacteria. This pyridoxal 5'-phosphate (PLP)-dependent enzyme consists of two protein chains, α (TrpA) and β (TrpB), functioning as a linear αββα heterotetrameric complex containing two TrpAB units. The reaction has a complicated, multistep mechanism resulting in the β-replacement of the hydroxyl group of L-serine with an indole moiety. Recent studies have shown that functional TrpAB is required for the survival of pathogenic bacteria in macrophages and for evading host defense. Therefore, TrpAB is a promising target for drug discovery, as its orthologs include enzymes from the important human pathogens Streptococcus pneumoniae , Legionella pneumophila and Francisella tularensis , the causative agents of pneumonia, legionnaires' disease and tularemia, respectively. However, specific biochemical and structural properties of the TrpABs from these organisms have not been investigated. To fill the important phylogenetic gaps in the understanding of TrpABs and to uncover unique features of TrpAB orthologs to spearhead future drug-discovery efforts, the TrpABs from L. pneumophila , F. tularensis and S. pneumoniae have been characterized. In addition to kinetic properties and inhibitor-sensitivity data, structural information gathered using X-ray crystallography is presented. The enzymes show remarkable structural conservation, but at the same time display local differences in both their catalytic and allosteric sites that may be responsible for the observed differences in catalysis and inhibitor binding. This functional dissimilarity may be exploited in the design of species-specific enzyme inhibitors.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2011

In-Flight Measurements of Capsule Shell Adiabats in Laser-Driven Implosions

We present the first x-ray Thomson scattering measurements of temperature and density from spherically imploding matter. The shape of the Compton downscattered spectrum provides a first-principles measurement of the electron velocity distribution function, dependent on T{sub e} and the Fermi temperature T{sub F}{approx}n{sub e}{sup 2/3}. In-flight compressions of Be and CH targets reach 6-13 times solid density, with T{sub e}/T{sub F}{approx}0.4-0.7 and {Gamma}{sub ii}{approx}5, resulting in minimum adiabats of {approx}1.6-2. These measurements are consistent with low-entropy implosions and predictions by radiation-hydrodynamic modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Interpolation of computed gamma-ray detector response functions

Gamma-ray spectra measured by traditional detectors contain features that result from a combination of the effects of detector materials/geometry, the incident gamma-ray energy, and the angle of entry. The features, such as the full-energy photopeak, Compton continuum, annihilation peak, and escape peaks, are governed by simple relationships depending on incident energy and have been known for a long time. Monte Carlo computer simulations of gamma rays interacting with a detector will show these features, and with a resolution function applied, the results should look similar to real measurements. The traditional approach to creating a detector response function requires many separate simulations of monoenergetic gamma rays striking the detector. This paper presents a new approach to developing computed detector response functions. The new approach involves a much smaller number of monoenergetic gamma-ray simulations and uses interpolation to quickly generate the responses of gamma rays that were not simulated. During the interpolation process, the underlying physics equations are used to accurately compute the response of a given energy gamma ray from the small set of simulations. Such work enables accelerated generation of synthetic radiation detector data.

Detector response↗
DOE OSTI2021

Probing many-body localization on a noisy quantum computer

A disordered quantum system of interacting particles exhibits localized behavior when the disorder is large compared to the interaction strength. Studying this phenomenon on a quantum computer with no, or limited, error correction is challenging because even weak coupling to a thermal environment destroys most signatures of localization. Fortunately, spectral functions of local operators are known to contain features that can survive the presence of noise. In these spectra, discrete peaks and a soft gap at low frequencies compared to the thermal phase indicate localization. Here, we present the computation of spectral functions on a trapped-ion quantum computer for a one-dimensional Heisenberg model with disorder. Further, we design an error-mitigation technique which is effective at removing the noise from the measurement allowing clear signatures of localization to emerge as the disorder increases. Furthermore, we show that spectral functions can serve as a robust and scalable diagnostic of many-body localization on current and future generations of quantum computers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗