Search NASA⌕ Search

SEARCH · Search NASA

Results for “Synthesis”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
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.↗
DOE OSTI2022

Cross-biome synthesis of source versus sink limits to tree growth

Uncertainties surrounding tree carbon allocation to growth are a major limitation to projections of forest carbon sequestration and response to climate change. The prevalence and extent to which carbon assimilation (source) or cambial activity (sink) mediate wood production are fundamentally important and remain elusive. We quantified source-sink relations across biomes by combining eddy-covariance gross primary production with extensive on-site and regional tree ring observations. We found widespread temporal decoupling between carbon assimilation and tree growth, underpinned by contrasting climatic sensitivities of these two processes. Substantial differences in assimilation-growth decoupling between angiosperms and gymnosperms were determined, as well as stronger decoupling with canopy closure, aridity, and decreasing temperatures. Our results reveal pervasive sink control over tree growth that is likely to be increasingly prominent under global climate change.

Science & Technology - Other Topics↗
DOE OSTI2020

Synthesis of highly water soluble tetrabenzoporphyrins and their application toward photodynamic therapy

Novel tetraaryl-(pyridinium-4-yl)-tetrabenzoporphyrins have been successfully synthesized via a Heck-based sequence reaction. These tetrabenzoporphyrins were substituted with eight pyridyl groups at the fused benzene rings. Methylation of the pyridyl groups with methyl iodide afforded highly water soluble tetrabenzoporphyrins carrying eight ionic groups. The extended π-conjugation broadened and red-shifted the absorption band of these porphyrins to 650–750 nm. Furthermore, these cationic tetrabenzoporphyrins showed non-toxicity in the dark up to 100 uM. High phototoxicity with IC 50 values lower than 18 μM were obtained for these tetrabenzoporphyrins.

DFT calculation photosensitizer↗
DOE OSTI2021

Synthesis, structure, electronic characterization, and halogenation of gold(III) phlorin complexes

The metalation chemistry of the phlorin, which is a non-aromatic tetrapyrrole macrocycle containing a single sp 3 -hybridized meso-carbon has remained underdeveloped, as compared to that of more traditional tetrapyrroles such as porphyrins, corroles and phthalocyanines. There have been few prior efforts to prepare metallophlorins, and those that have been reported have relied on either reduction or nucleophilic attack of parent metalloporphyrins, rather than direct metalation of freebase phlorin constructs. In this work, an alternate synthetic approach for preparation of gold(III) phlorin complexes that involves the first direct metalation of two different freebase phlorin derivatives (3H(Phl tBu ) and 3H(Phl F )) with AuBr 3 to produce the stable and fully isolable gold(III) phlorin complexes Au(Phl tBu ) and Au(Phl F ) is reported. The first structural characterization of a metallophlorin bearing geminal dimethyl substituents at the sp 3 -hybridized meso-carbon via X-ray crystallography is also reported. In addition to the preparation of Au(Phl tBu ) and Au(Phl F ), the UV-vis absorption and redox properties of these two gold(III) phlorins in comparison to those of their freebase homologues is also detailed. Notably, the metallophlorins are characterized by panchromatic absorbance profiles and intense and broad bands that span the long-visible and into the near-IR regions, as well as two fully reversible oxidation and reduction waves as probed by cyclic voltammetry. Lastly, the chlorination of Au(Phl tBu ) using PhI(Cl 2 ) was probed and it was found that this regioslective reaction generates monochlorinated (Au(Phl tBu Cl)) and dichlorinated (Au(Phl tBu Cl 2 )) products, which were both structurally characterized by X-ray crystallography.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Continuous-flow synthesis of thermochromic M-phase VO2 particles via rapid one-step hydrothermal reaction – effect of mixers

VO2 particles are promising materials for thermochromic smart windows that reduce building energy loss. Continuous-flow hydrothermal processes showcase advantages for synthesizing VO2 particles compared with traditional batch reaction systems. Mixers play a crucial role in particle fabrication in continuous-flow systems. In this study, a Center T-Mixer and a Collision Cross-Mixer are developed and implemented in a hot water fluidized suspension reaction (HWFSR) system. The influence of the resident time on the particle phase and size was evaluated, and properties of particles derived from systems equipped with differing mixers were compared. The resulting particles were characterized using techniques of X-ray powder diffraction (XRD) analysis, scanning electron microscopy (SEM), and differential scanning calorimetry (DSC). When compared with the Center T-Mixer, results indicate that the Collision Cross-Mixer has better control regarding the morphology and size distribution of resulting particles while improving the transition temperatures of the as-synthesized materials. HWFSR systems containing novel mixer designs are capable of producing pure M-phase VO2 particles in a single step contrary to the current reactor design that use a second postheat treatment step, and they are capable of synthesizing many other nanoparticle species, especially those requiring high temperature and pressure reaction conditions.

continuous-flow process↗
DOE OSTI2013

Mechanistic Insights into Validoxylamine A 7'-Phosphate Synthesis by VldE Using the Structure of the Entire Product Complex

The pseudo-glycosyltransferase VldE catalyzes non-glycosidic C-N coupling between an unsaturated cyclitol and a saturated aminocyclitol with the conservation of the stereochemical configuration of the substrates to form validoxylamine A 7'-phosphate, the biosynthetic precursor of the antibiotic validamycin A. To study the molecular basis of its mechanism, the three-dimensional structures of VldE from Streptomyces hygroscopicus subsp. limoneus was determined in apo form, in complex with GDP, in complex with GDP and validoxylamine A 7'-phosphate, and in complex with GDP and trehalose. The structure of VldE with the catalytic site in both an “open” and “closed” conformation is also described. With these structures, the preferred binding of the guanine moiety by VldE, rather than the uracil moiety as seen in OtsA could be explained. The elucidation of the VldE structure in complex with the entirety of its products provides insight into the internal return mechanism by which catalysis occurs with a net retention of the stereochemical configuration of the donated cyclitol.

Cavalier, Michael C.↗