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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Diamond synthesis at atmospheric pressure by microwave capillary plasma chemical vapor deposition

Polycrystalline diamond has been synthesized on silicon substrates at atmospheric pressure, using a microwave capillary plasma chemical vapor deposition technique. The CH{sub 4}/Ar plasma was generated inside of quartz capillary tubes using 2.45 GHz microwave excitation without adding H{sub 2} into the deposition gas chemistry. Electronically excited species of CN, C{sub 2}, Ar, N{sub 2}, CH, H{sub β}, and H{sub α} were observed in the emission spectra. Raman measurements of deposited material indicate the formation of well-crystallized diamond, as evidenced by the sharp T{sub 2g} phonon at 1333 cm{sup −1} peak relative to the Raman features of graphitic carbon. Field emission scanning electron microscopy images reveal that, depending on the growth conditions, the carbon microstructures of grown films exhibit “coral” and “cauliflower-like” morphologies or well-facetted diamond crystals with grain sizes ranging from 100 nm to 10 μm.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Rational design, synthesis, and evaluation of uncharged, “smart” bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase

Organophosphate (OP) intoxications from nerve agent and OP pesticide exposures are managed with pyridinium aldoxime–based therapies whose success rates are currently limited. The pyridinium cation hampers uptake of OPs into the central nervous system (CNS). Furthermore, it frequently binds to aromatic residues of OP-inhibited acetylcholinesterase (AChE) in orientations that are nonproductive for AChE reactivation, and the structural diversity of OPs impedes efficient reactivation. Improvements of OP antidotes need to include much better access of AChE reactivators to the CNS and optimized orientation of the antidotes' nucleophile within the AChE active-center gorge. On the basis of X-ray structures of a CNS-penetrating reactivator, monoxime RS194B, reversibly bound to native and venomous agent X (VX)–inhibited human AChE, here we created seven uncharged acetamido bis-oximes as candidate antidotes. Both oxime groups in these bis-oximes were attached to the same central, saturated heterocyclic core. Diverse protonation of the heterocyclic amines and oxime groups of the bis-oximes resulted in equilibration among up to 16 distinct ionization forms, including uncharged forms capable of diffusing into the CNS and multiple zwitterionic forms optimal for reactivation reactions. Conformationally diverse zwitterions that could act as structural antidote variants significantly improved in vitro reactivation of diverse OP-human AChE conjugates. Oxime group reorientation of one of the bis-oximes, forcing it to point into the active center for reactivation, was confirmed by X-ray structural analysis. Finally, our findings provide detailed structure-activity properties of several CNS-directed, uncharged aliphatic bis-oximes holding promise for use as protonation-dependent, conformationally adaptive, “smart” accelerated antidotes against OP toxicity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Synthesis and characterization of an amethyrin-uranyl complex displaying aromatic character

The reaction among amethyrin and non-aqueous uranyl silylamide (UO2[N(SiMe 3 ) 2 ] 2 ) under anaerobic conditions afford a bench-stable uranyl complex. UV-Vis spectroscopy, cyclic voltammetry, as well as proton NMR spectroscopic analyses offer support for the conclusion that all six pyrrole subunits participate in coordination of the uranyl dication and that, upon complexation, the amethyrin-core undergoes a 2-electron oxidation to yield a formal 22 π-electron aromatic species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Deletion of biofilm synthesis in Eubacterium limosum ATCC 8486 improves handling and transformation efficiency

Abstract Eubacterium limosum is an acetogenic bacterium of potential industrial relevance for its ability to efficiently metabolize a range of single carbon compounds. However, extracellular polymeric substance (EPS) produced by the type strain ATCC 8486 is a serious impediment to bioprocessing and genetic engineering. To remove these barriers, here we bioinformatically identified genes involved in EPS biosynthesis, and targeted several of the most promising candidates for inactivation, using a homologous recombination-based approach. Deletion of a single genomic region encoding homologues for epsABC, ptkA, and tmkA resulted in a strain incapable of producing EPS. This strain is significantly easier to handle by pipetting and centrifugation, and retains important wild-type phenotypes including the ability to grow on methanol and carbon dioxide and limited oxygen tolerance. Additionally, this strain is also more genetically tractable with a 2-fold increase in transformation efficiency compared to the highest previous reports. This work advances a simple, rapid protocol for gene knockouts in E. limosum using only the native homologous recombination machinery. These results will hasten the development of this organism as a workhorse for valorization of single carbon substrates, as well as facilitate exploration of its role in the human gut microbiota.

Sanford, Patrick A.↗
DOE OSTI2017

Synthesis and characterization of iodosodalite

Abstract The effects of six process variables were investigated on the hydrothermal growth of iodosodalite, Na 8 Al 6 Si 6 O 24 I 2 : pH (Na OH concentration), aging time, temperature, Al/Si ratio, precursors used (i.e., zeolite 4A, kaolinite, meta‐kaolin, colloidal silica, and sodium aluminate), and precursor concentration. Powder X‐ray diffraction ( XRD ) with Rietveld refinements, X‐ray photoelectron spectroscopy ( XPS ), Fourier transform infrared spectroscopy ( FTIR ), and scanning electron microscopy ( SEM ) were performed to characterize the structures, phase fractions, chemical state, and surface morphology of the synthesized products. Iodosodalite yield increased as aging time and pH increased. The crystallization of iodosodalite was favored in the temperature range 140°C‐180°C. Decreasing the Al/Si ratio by half increased the crystallization of basic cancrinite. Lowering the precursor concentration by adding water revealed the crystallization of nepheline hydrate I and a decrease in the sodalite fraction. Among the tested precursors, zeolite 4A yielded the highest mass fraction of iodosodalite in the synthesized powders. From the aging time and temperature variation experiments, the phase transformation of zeolite A→sodalite→cancrinite was observed. XPS and FTIR results showed the presence of only iodide but not iodate in the synthesized product. The crystallization of various minerals suggests that mechanisms for transport of the ions and formation of the aluminosilicate frameworks vary with hydrothermal conditions.

Chong, Saehwa↗
DOE OSTI2014

Realistic simulation of reduced-dose CT with noise modeling and sinogram synthesis using DICOM CT images

Purpose: Reducing the patient dose while maintaining the diagnostic image quality during CT exams is the subject of a growing number of studies, in which simulations of reduced-dose CT with patient data have been used as an effective technique when exploring the potential of various dose reduction techniques. Difficulties in accessing raw sinogram data, however, have restricted the use of this technique to a limited number of institutions. Here, we present a novel reduced-dose CT simulation technique which provides realistic low-dose images without the requirement of raw sinogram data. Methods: Two key characteristics of CT systems, the noise equivalent quanta (NEQ) and the algorithmic modulation transfer function (MTF), were measured for various combinations of object attenuation and tube currents by analyzing the noise power spectrum (NPS) of CT images obtained with a set of phantoms. Those measurements were used to develop a comprehensive CT noise model covering the reduced x-ray photon flux, object attenuation, system noise, and bow-tie filter, which was then employed to generate a simulated noise sinogram for the reduced-dose condition with the use of a synthetic sinogram generated from a reference CT image. The simulated noise sinogram was filtered with the algorithmic MTF and back-projected to create a noise CT image, which was then added to the reference CT image, finally providing a simulated reduced-dose CT image. The simulation performance was evaluated in terms of the degree of NPS similarity, the noise magnitude, the bow-tie filter effect, and the streak noise pattern at photon starvation sites with the set of phantom images. Results: The simulation results showed good agreement with actual low-dose CT images in terms of their visual appearance and in a quantitative evaluation test. The magnitude and shape of the NPS curves of the simulated low-dose images agreed well with those of real low-dose images, showing discrepancies of less than +/−3.2% in terms of the noise power at the peak height and +/−1.2% in terms of the spatial frequency at the peak height. The magnitudes of the noise measured for 12 different combinations the phantom size, tube current, and reconstruction kernel for the simulated and real low-dose images were very similar, with differences of 0.1 to 4.7%. Thep value for a statistical testing of the difference in the noise magnitude ranged from 0.99 to 0.11, showing that there was no difference statistically between the noise magnitudes of the real and simulated low-dose images using our method. The strength and pattern of the streak noise in an anthropomorphic phantom was also consistent with expectations. Conclusions: A novel reduced-dose CT simulation technique was developed which uses only CT images while not requiring raw sinogram data. Our method can provide realistic simulation results under reduced-dose conditions both in terms of the noise magnitude and the textual appearance. This technique has the potential to promote clinical research for patient dose reductions.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2015

Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs

Borophene: Boron in two dimensions Although bulk allotropes of carbon and boron differ greatly, small clusters of these elements show remarkable similarities. Boron analogs of two-dimensional carbon allotropes such as graphene have been predicted. Now Mannix et al. report the formation of two-dimensional boron by depositing the elemental boron onto a silver surface under ultrahigh-vacuum conditions (see the Perspective by Sachdev). The graphene-like structure was buckled, weakly bonded to the substrate, and metallic. Science , this issue p. 1513 ; see also p. 1468

Mannix, Andrew J.↗