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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Search for 2{nu}{beta}{beta} Decay of {sup 130}Te to the First Excited State of {sup 130}Xe with an Ultra-Low-Background Germanium Crystal Array

The goal of searching for zero-neutrino double-beta (0{nu}{beta}{beta}) decay is to probe an absolute neutrino mass scale suggested by the mass-splitting parameters observed by neutrino oscillation experiments. Furthermore, observation of 0{nu}{beta}{beta} decay is an explicit instance of Lepton-number non-conservation. A sensitive measurement of two-neutrino double-beta (2{nu}{beta}{beta}) decay can provide critical input to Quasiparticle Random Phase Approximation (QRPA) calculations of the nuclear matrix elements in models similar to those used to extract the absolute neutrino mass from (0{nu}{beta}{beta}) decay experiments. Tellurium-130, an even-even nucleus, can undergo 2{nu}{beta}{beta} decay to the first 0+ excited state of {sup 130}Xe producing three possible {gamma}-ray cascades as it transitions to the ground state. The Cascades detector is a high purity germanium (HPGe) crystal array consisting of two ultra-low-background copper cryostats each housing a hexagonal array of seven crystals. The project is currently being developed at Pacific Northwest National Laboratory in Richland, WA (USA), and aims to obtain very high {gamma}-ray detection efficiency while utilizing highly effective and low-background shielding. GEANT4 simulations of the detector are performed for a {sup 130}Te sample in order to determine the optimum size and geometry of the source for maximum detection efficiency and predict its sensitivity for measuring 2{nu}{beta}{beta} decay to the first 0+ excited state of {sup 130}Xe. These simulations are validated with calibration sources and presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2012

Cholesterol enhances amyloid {beta} deposition in mouse retina by modulating the activities of A{beta}-regulating enzymes in retinal pigment epithelial cells

Highlights: Black-Right-Pointing-Pointer Cholesterol-treated RPE produces more A{beta} than non-treated RPE. Black-Right-Pointing-Pointer Neprilysin expression and activity decreased in cholesterol-treated RPE. Black-Right-Pointing-Pointer {alpha}-Secretase expression and activity decreased in cholesterol-treated RPE. Black-Right-Pointing-Pointer Cholesterol-enriched diet induced subRPE deposits in aged mice. Black-Right-Pointing-Pointer A{beta} were present in cholesterol-enriched-diet-induced subRPE deposits in aged mice. -- Abstract: Subretinally-deposited amyloid {beta} (A{beta}) is a main contributor of developing age-related macular degeneration (AMD). However, the mechanism causing A{beta} deposition in AMD eyes is unknown. Hypercholesterolemia is a significant risk for developing AMD. Thus, we investigated the effects of cholesterol on A{beta} production in retinal pigment epithelial (RPE) cells in vitro and in the mouse retina in vivo. RPE cells isolated from senescent (12-month-old) C57BL/6 mice were treated with 10 {mu}g/ml cholesterol for 48 h. A{beta} amounts in culture supernatants were measured by ELISA. Activity and expression of enzymes and proteins that regulate A{beta} production were examined by activity assay and real time PCR. The retina of mice fed cholesterol-enriched diet was examined by transmission electron microscopy. Cholesterol significantly increased A{beta} production in cultured RPE cells. Activities of A{beta} degradation enzyme; neprilysin (NEP) and anti-amyloidogenic secretase; {alpha}-secretase were significantly decreased in cell lysates of cholesterol-treated RPE cells compared to non-treated cells, but there was no change in the activities of {beta}- or {gamma}-secretase. mRNA levels of NEP and {alpha}-secretase (ADAM10 and ADAM17) were significantly lower in cholesterol-treated RPE cells than non-treated cells. Senescent (12-month-old) mice fed cholesterol-enriched chow developed subRPE deposits containing A{beta}, whereas age-matched mice fed standard rodent chow diet did not. Activities and mRNA levels of NEP and {alpha}-secretase were significantly lower in native RPE cells freshly isolated from cholesterol-enriched chow fed mice compared to standard rodent chow fed mice. These findings suggest that cholesterol enhances subretinal A{beta} accumulation by modulating the activities of enzymes degrading and processing A{beta} in RPE cells in senescent subjects.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2011

Origin of a sensitive dependence of calculated {beta}{beta}-decay amplitudes on the particle-particle residual interaction

In the present work the sensitivity of calculated {beta}{beta}-decay amplitudes to a realistic residual interaction is analyzed in the framework of the approach of O. A. Rumyantsev and M. H. Urin, Phys. Lett. B 443, 51 (1998). and V. A. Rodin, M. H. Urin, and A. Faessler, Nucl. Phys. A 747, 297 (2005). Both the Gamow-Teller (GT) and Fermi (F) matrix elements M{sup 2}{nu} for two-neutrino {beta}{beta} decay (2{nu}{beta}{beta} decay), along with the monopole transition contributions to the total matrix elements M{sup 0{nu}} of neutrinoless {beta}{beta} decay (0{nu}{beta}{beta} decay), are calculated within the quasiparticle random-phase approximation (QRPA). In the aforementioned approach decompositions of M{sup 2{nu}} and M{sup 0{nu}} can be obtained in terms of the corresponding energy-weighted sum rules S. It is shown that in most of the cases almost the whole dependence of M{sup 2{nu}} and M{sup 0{nu}} on the particle-particle (p-p) renormalization parameter g{sub pp} is accounted for by the g{sub pp} dependence of the corresponding sum rules S. General expressions relating S to a realistic residual particle-particle interaction are derived, which show a pronounced sensitivity of S to the singlet-channel interaction in the case of F transitions and to the triplet-channel interaction in the case of GT transitions. Thus, the sensitivity of M{sup 2{nu}} and M{sup 0{nu}} to the SU(4)-symmetry-breaking part of the p-p residual interaction is dictated by the generic structure of the {beta}{beta}-decay amplitudes. Therefore, a choice of this part in a particular calculation needs a special caution. Finally, a better isospin-consistent way of renormalization of a realistic residual p-p interaction to use in QRPA calculations is suggested.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2010

Transmission electron microscopic investigation of the {beta}{sub 1}{yields}{beta} phase transformation in a Mg-Dy-Nd alloy

The phase transformation of {beta}{sub 1}{yields}{beta} in a Mg-Dy-Nd alloy was studied by TEM. The {beta}{sub 1} phase, forming as plates parallel to {l_brace}1100{r_brace}{sub {alpha}}, has an f.c.c structure, with a {approx} 0.74 nm, and an orientation relationship that may be described by (111){sub {beta}1}//(1120){sub {alpha}}, (110){sub {beta}1}//(0001){sub {alpha}}. The equilibrium phase {beta}, forming as plates parallel to {l_brace}1100{r_brace}{sub {alpha}}, has an ordered f.c.c structure, with a {approx} 2.223 nm, and the orientation relationship between {beta} and the matrix phase is identical to that observed between {beta}{sub 1} and matrix phase. Both phases are interconnected according to the orientation relationship: (111){sub {beta}}//(111){sub {beta}1} and (110){sub {beta}}//(110){sub {beta}1}.

36 MATERIALS SCIENCE↗
DOE OSTI2013

TEM study of {beta} Prime precipitate interaction mechanisms with dislocations and {beta} Prime interfaces with the aluminium matrix in Al-Mg-Si alloys

The interaction mechanisms between dislocations and semi-coherent, needle-shaped {beta} Prime precipitates in Al-Mg-Si alloys have been studied by High Resolution Transmission Electron Microscopy (HRTEM). Dislocation loops appearing as broad contrast rings around the precipitate cross-sections were identified in the Al matrix. A size dependency of the interaction mechanism was observed; the precipitates were sheared when the longest dimension of their cross-section was shorter than approximately 15 nm, and looped otherwise. A more narrow ring located between the Al matrix and bulk {beta} Prime indicates the presence of a transition interface layer. Together with the bulk {beta} Prime structure, this was further investigated by High Angle Annular Dark Field Scanning TEM (HAADF-STEM). In the bulk {beta} Prime a higher intensity could be correlated with a third of the Si-columns, as predicted from the published structure. The transition layer incorporates Si columns in the same arrangement as in bulk {beta} Prime , although it is structurally distinct from it. The Z-contrast information and arrangement of these Si-columns demonstrate that they are an extension of the Si-network known to structurally connect all the precipitate phases in the Al-Mg-Si(-Cu) system. The width of the interface layer was estimated to about 1 nm. - Highlights: Black-Right-Pointing-Pointer {beta} Prime is found to be looped at sizes larger than 15 nm (cross section diameter). Black-Right-Pointing-Pointer {beta} Prime is found to be sheared at sizes smaller than 15 nm (cross section diameter). Black-Right-Pointing-Pointer The recently determined crystal structure of {beta} Prime is confirmed by HAADF-STEM. Black-Right-Pointing-Pointer Between {beta} Prime and the Al-matrix a transition layer of about 1 nm is existent. Black-Right-Pointing-Pointer The {beta} Prime /matrix layer is structurally distinct from bulk {beta} Prime and the aluminium matrix.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Cu K-edge X-ray Absorption Spectroscopy Reveals Differential Copper Coordimation Within Amyloid-beta Oligomers Compared to Amyloid-beta Monomers

The fatal neurodegenerative disorder Alzheimer's disease (AD) has been linked to the formation of soluble neurotoxic oligomers of amyloid-{beta} (A{beta}) peptides. These peptides have high affinities for copper cations. Despite their potential importance in AD neurodegeneration few studies have focused on probing the Cu{sup 2+/1+} coordination environment within A{beta} oligomers. Herein we present a Cu K-edge X-ray absorption spectroscopic study probing the copper-coordination environment within oligomers of A{beta}(42) (sequence: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA). We find that the Cu{sup 2+} cation is contained within a square planar mixed N/O ligand environment within A{beta}(42) oligomers, which is similar to the copper coordination environment of the monomeric forms of {l_brace}Cu{sup II}A{beta}(40){r_brace} and {l_brace}Cu{sup II}A{beta}(16){r_brace}. Reduction of the Cu{sup 2+} cation within the A{beta}(42) oligomers to Cu{sup 1+} yields a highly dioxygen sensitive copper-species that contains Cu{sup 1+} in a tetrahedral coordination geometry. This can be contrasted with monomers of {l_brace}Cu{sup I}A{beta}(40){r_brace} and {l_brace}Cu{sup I}A{beta}(16){r_brace}, which contain copper in a dioxygen inert linear bis-histidine ligand environment [Shearer and Szalai, J. Am. Chem. Soc., 2008, 130, 17826]. The biological implications of these findings are discussed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2010

Effects of concomitant use of fibroblast growth factor (FGF)-2 with beta-tricalcium phosphate ({beta}-TCP) on the beagle dog 1-wall periodontal defect model

Research highlights: {yields} Concomitant use of FGF-2 and {beta}-TCP (an osteo-conductive scaffold) significantly promotes periodontal regeneration in the severe periodontitis model (1-wall defect model) of beagle dog. {yields} FGF-2 enhanced new bone formation via {beta}-TCP at the defects. {yields} In particular, FGF-2 dramatically regenerated new periodontal ligament and cementum formations at the defects, that is one of the most important healing outcomes during the process of periodontal regeneration. {yields} Epithelial downgrowth (undesirable wound healing) was decreased by administration of FGF-2. {yields} This manuscript indicates for the first time that concomitant use of FGF-2 and {beta}-TCP is efficacious in regenerating periodontal tissue following severe destruction of the tissue by progression of periodontitis. -- Abstract: The effects of concomitant use of fibroblast growth factor-2 (FGF-2) and beta-tricalcium phosphate ({beta}-TCP) on periodontal regeneration were investigated in the beagle dog 1-wall periodontal defect model. One-wall periodontal defects were created in the mesial portion of both sides of the mandibular first molars, and 0.3% FGF-2 plus {beta}-TCP or {beta}-TCP alone was administered. Radiographic evaluation was performed at 0, 3, and 6 weeks. At 6 weeks, the periodontium with the defect site was removed and histologically analyzed. Radiographic findings showed that co-administration of FGF-2 significantly increased bone mineral contents of the defect sites compared with {beta}-TCP alone. Histologic analysis revealed that the length of the regenerated periodontal ligament, the cementum, distance to the junctional epithelium, new bone height, and area of newly formed bone were significantly increased in the FGF-2 group. No abnormal inflammatory response or ankylosis was observed in either group. These findings indicate the efficacy of concomitant use of FGF-2 and {beta}-TCP as an osteoconductive material for periodontal regeneration following severe destruction by progressive periodontitis.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Temperature drives local contributions to beta diversity in mountain streams: stochastic and deterministic processes

Community variation (i.e. beta diversity) in geographical coenoclines is of substantial interest in ecology, yet the elevational patterns in beta diversity are still understudied, and no general conclusions have been reached. Here, we explored local contributions to beta diversity (LCBD) of stream bacteria, diatoms and macroinvertebrates on mountainsides. Across all taxa, we revealed a general U-shaped LCBD-elevation relationships (LCBDer), suggesting higher uniqueness of community composition at the two ends of the elevational gradients. This pattern was confirmed by coenocline simulations based on observed communities, and supported by the dominance of species replacement in total beta diversity. Across mountains and taxonomic groups, temperature was the main environmental factor underlying elevational patterns in LCBD and its metric relatives, which were also mediated by local environmental variables. The observed magnitudes of U-shaped LCBDer across mountains and taxonomic groups were specifically related to the heterogeneity of stream morphology, and the mean annual temperature on each mountain. U-shaped LCBDer were strengthened by the occurrence of generalist species with large elevational ranges, while rare species had a lesser effect on the patterns. Raup-Crick beta diversity indicated that both stochastic and deterministic processes drove the community assembly, and the latter one was positively related to the magnitudes of LCBDer. Our synthesis across mountains and taxonomic groups clearly shows that there are consistent elevational patterns in LCBD among taxonomic groups, and that these patterns are explained by similar ecological mechanisms, producing a more complete picture in understanding and bridging the spatial variation in biodiversity under changing climate.

Wang, Jianjun↗
DOE OSTI2026

Sensitivity of the CUPID experiment to $0\nu \beta \beta$ decay of 100 Mo

CUPID is a next-generation bolometric experiment to search for neutrinoless double-beta decay ($0\nu \beta \beta$ ) of 100 Mo using Li 2 MoO 4 scintillating crystals. It will operate 1596 crystals at ~10 mK in the CUORE cryostat at the Laboratori Nazionali del Gran Sasso in Italy. Each crystal will be facing two Ge-based bolometric light detectors for α rejection. We compute the discovery and the exclusion sensitivity of CUPID to $0\nu \beta \beta$ in a Frequentist and a Bayesian framework. This computation is done numerically based on pseudo-experiments. For the CUPID baseline scenario, with a background and an energy resolution of 1.0 x 10 –4 counts/keV/kg/yr and 5 keV FWHM at the Q-value, respectively, this results in a Bayesian exclusion sensitivity (90% c.i.) of $\hat{T}_{1/2} > 1.6 \times 10^{27} \ \textrm{yr}$, corresponding to the effective Majorana neutrino mass of $\hat{m}_{\beta \beta } < \ 9.6$ – 28 meV. The Frequentist discovery sensitivity (3σ ) is $\hat{T}_{1/2}= 1.0 \times 10^{27} \ \textrm{yr}$, corresponding to $\hat{m}_{\beta \beta }= \ 12$ – 36 meV.

Alfonso, K. [Virginia Polytechnic Institute and St↗
DOE OSTI2019

Structures of single-layer {beta}-sheet proteins evolved from {beta}-hairpin repeats

Free-standing single-layer beta-sheets are extremely rare in naturally occurring proteins, even though beta-sheet motifs are ubiquitous. Here we report the crystal structures of three homologous, single-layer, anti-parallel beta-sheet proteins, comprised of three or four twisted beta-hairpin repeats. The structures reveal that, in addition to the hydrogen bond network characteristic of beta-sheets, additional hydrophobic interactions mediated by small clusters of residues adjacent to the turns likely play a significant role in the structural stability and compensate for the lack of a compact hydrophobic core. These structures enabled identification of a family of secreted proteins that are broadly distributed in bacteria from the human gut microbiome and are putatively involved in the metabolism of complex carbohydrates. A conserved surface patch, rich in solvent-exposed tyrosine residues, was identified on the concave surface of the beta-sheet. These new modular single-layer beta-sheet proteins may serve as a new model system for studying folding and design of beta-rich proteins.

beta-hairpin repeats↗
DOE OSTI2015

Influence of plasma beta on the generation of lower hybrid and whistler waves by an ion velocity ring distribution

We present results of three-dimensional electromagnetic particle-in-cell simulations of the lower hybrid ion ring instability, similar to our earlier results [D. Winske and W. Daughton, Phys. Plasma 19, 072109 (2012)], but at higher electron beta (β{sub e} = ratio of electron thermal pressure to magnetic pressure = 0.06, rather than at 0.006) with T{sub i} = T{sub e}. At higher electron beta, the level of lower hybrid waves at saturation normalized to the ion thermal energy (β{sub i} = 0.06 also) is only slightly smaller, but the corresponding magnetic fluctuations are about an order of magnitude larger, consistent with linear theory. After saturation, the waves evolve into whistler waves, through a number of possible mechanisms, with an average growth rate considerably smaller than the linear growth rate of the lower hybrid waves, to a peak fluctuation level that is about 20% above the lower hybrid wave saturation level. The ratio of the peak magnetic fluctuations associated with the whistler waves relative to those of the saturated lower hybrid waves, the ratio of the nonlinear growth rate of whistlers relative to the linear growth rate of lower hybrid waves, the amount of energy extracted from the ring, and the amount of heating of the background ions and electrons are comparable to those in the lower electron beta 3D simulation. This suggests that even at higher electron beta, the linear and nonlinear physics of the lower hybrid ion ring instability is dominated by electrostatic, wave-particle rather than wave-wave interactions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Magnetron-sputter epitaxy of {beta}-FeSi{sub 2}(220)/Si(111) and {beta}-FeSi{sub 2}(431)/Si(001) thin films at elevated temperatures

{beta}-FeSi{sub 2} thin films have been grown on Si(111) and Si(001) substrates by magnetron-sputter epitaxy at 700 Degree-Sign C. On Si(111), the growth is consistent with the commonly observed orientation of [001]{beta}-FeSi{sub 2}(220)//[1-10]Si(111) having three variants, in-plane rotated 120 Degree-Sign with respect to one another. However, on Si(001), under the same growth conditions, the growth is dominated by [-111]{beta}-FeSi{sub 2}(431)//[110]Si(001) with four variants, which is hitherto unknown for growing {beta}-FeSi{sub 2}. Photoelectron spectra reveal negligible differences in the valance-band and Fe2p core-level between {beta}-FeSi{sub 2} grown on Si(111) and Si(001) but an apparent increased Si-oxidization on the surface of {beta}-FeSi{sub 2}/Si(001). This phenomenon is discussed and attributed to the Si-surface termination effect, which also suggests that the Si/Fe ratio on the surface of {beta}-FeSi{sub 2}(431)/Si(001) is larger than that on the surface of {beta}-FeSi{sub 2}(220)/Si(111).

36 MATERIALS SCIENCE↗
DOE OSTI2022

Final results on the $$0\nu \beta \beta $$ decay half-life limit of $$^{100}$$Mo from the CUPID-Mo experiment

Abstract The CUPID-Mo experiment to search for 0 $$\nu \beta \beta $$ ν β β decay in $$^{100}$$ 100 Mo has been recently completed after about 1.5 years of operation at Laboratoire Souterrain de Modane (France). It served as a demonstrator for CUPID, a next generation 0 $$\nu \beta \beta $$ ν β β decay experiment. CUPID-Mo was comprised of 20 enriched $$\hbox {Li}_{{2}}$$ Li 2 $$^{100}$$ 100 $$\hbox {MoO}_4$$ MoO 4 scintillating calorimeters, each with a mass of $$\sim 0.2$$ ∼ 0.2 kg, operated at $$\sim 20$$ ∼ 20 mK. We present here the final analysis with the full exposure of CUPID-Mo ( $$^{100}$$ 100 Mo exposure of 1.47 $$\hbox {kg} \times \hbox {year}$$ kg × year ) used to search for lepton number violation via 0 $$\nu \beta \beta $$ ν β β decay. We report on various analysis improvements since the previous result on a subset of data, reprocessing all data with these new techniques. We observe zero events in the region of interest and set a new limit on the $$^{100}$$ 100 Mo 0 $$\nu \beta \beta $$ ν β β decay half-life of $$T_{1/2}^{0\nu }$$ T 1 / 2 0 ν $$> {1.8}\times 10^{24}$$ > 1.8 × 10 24 year (stat. + syst.) at 90% CI. Under the light Majorana neutrino exchange mechanism this corresponds to an effective Majorana neutrino mass of $$\left $$ m β β $$<~{(0.28{-}0.49)} $$ < ( 0.28 - 0.49 ) eV, dependent upon the nuclear matrix element utilized.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1976

The occultation of beta Scorpii by Jupiter. VII - The angular diameters of beta Scorpii A1 and A2

A new technique for measuring angular diameters of stars, which makes use of stellar images formed by planetary atmospheres during occultations, is described. This method has been applied to light curves of the 1971 May 13 occultation of beta Sco by Jupiter, yielding the angular diameters of the two early B stars comprising the spectroscopic binary beta Sco A. An angular diameter of about .000422 arcsec for beta Sco A1 and about .000264 arcsec is found for beta Sco A2. These angular diameters are in good agreement with that obtained with the intensity interferometer for beta Sco, a star of nearly the same magnitude and spectral type as beta Sco A1. If the distance to beta Sco A were precisely known, beta Sco A1 and A2 would become fundamental standards of mass, luminosity, and radius for early B stars. Present constraints on the distance and methods by which it could be accurately determined are discussed.

Elliot, J. L.↗
NASA NTRS1997

Local Interstellar Medium Properties and Deuterium Abundances for the Lines of Sight Toward HR 1099, 31 Comae, beta Ceti, and beta Cassiopeiae

We analyze Goddard High-Resolution Spectrograph data to infer the properties of local interstellar gas and the Deuterium/Hydrogen (D/H) ratio for lines of sight toward four nearby late-type stars-HR 1099, 31 Comae, beta Ceti, and beta Cassiopeiae. The data consist of spectra of the hydrogen and deuterium Lyman-(alpha) lines, and echelle spectra of the Mg IIh and k lines toward all stars except beta Cas. Spectra of the RS CVn-type spectroscopic binary system HR 1099 were obtained near opposite quadratures to determine the intrinsic stellar emission line profile and the interstellar absorption separately. Multiple-velocity components were found toward HR 1099 and beta Cet. The spectra of 31 Com and beta Cet are particularly interesting because they sample lines of sight toward the north and south Galactic poles, respectively, for which H I and D I column densities were not previously available. The north Galactic pole appears to be a region of low hydrogen density like the 'interstellar tunnel' toward epsilon CMa. The temperature and turbulent velocities of the Local InterStellar Medium (LISM) that we measure for the lines of sight toward HR 1099, 31 Com, beta Cet, and beta Cas are similar to previously measured values (T approx.7000 K and xi = 1.0-1.6 km/s). The deuterium/hydrogen ratios found for these lines of sight are also consistent with previous measurements of other short lines of sight, which suggest D/H approx. 1.6 x 10(sup -5). In contrast, the Mg abundance measured for the beta Cet line of sight (implying a logarithmic depletion of D(Mg) = +0.30 +/- 0.15) is about 5 times larger than the Mg abundance previously observed toward alpha Cen, and about 20 times larger than all other previous measurements for the LISM. These results demonstrate that metal abundances in the LISM vary greatly over distances of only a few parsecs.

Piskunov, Nikolai↗
DOE OSTI2012

Synthesis of mixed-valent [alpha]- and [beta]-NaFe[subscript 2]O[subscript 3] polymorphs under controlled partial oxygen pressure

Synthesis of mixed valent compounds, especially when multiple polymorphs exist, requires careful control of the preparation conditions. {alpha}- and {beta}-NaFe{sub 2}O{sub 3} polymorphs were synthesized under controlled partial oxygen pressure (pO{sub 2}). pO{sub 2} regions of stability at 850 C were determined for both phases for the first time. A modified oxygen buffer method was developed for the facile preparation of mixed valent oxides under controlled pO{sub 2}. {beta}-NaFe{sub 2}O{sub 3} is the only known n = 2 member of the AM{sub n}O{sub n+1} (A = alkali metal, M = 3d metal) rock-salt related homolog series with layered cation ordering. The possibility of new members of the homolog series with other 3d metals is considered.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Conversion of Human Steroid 5[beta]-Reductase (AKR1D1) into 3[beta]-Hydroxysteroid Dehydrogenase by Single Point Mutation E120H: Example of Perfect Enzyme Engineering

Human aldo-keto reductase 1D1 (AKR1D1) and AKR1C enzymes are essential for bile acid biosynthesis and steroid hormone metabolism. AKR1D1 catalyzes the 5{beta}-reduction of {Delta}{sup 4}-3-ketosteroids, whereas AKR1C enzymes are hydroxysteroid dehydrogenases (HSDs). These enzymes share high sequence identity and catalyze 4-pro-(R)-hydride transfer from NADPH to an electrophilic carbon but differ in that one residue in the conserved AKR catalytic tetrad, His120 (AKR1D1 numbering), is substituted by a glutamate in AKR1D1. We find that the AKR1D1 E120H mutant abolishes 5{beta}-reductase activity and introduces HSD activity. However, the E120H mutant unexpectedly favors dihydrosteroids with the 5{alpha}-configuration and, unlike most of the AKR1C enzymes, shows a dominant stereochemical preference to act as a 3{beta}-HSD as opposed to a 3{alpha}-HSD. The catalytic efficiency achieved for 3{beta}-HSD activity is higher than that observed for any AKR to date. High resolution crystal structures of the E120H mutant in complex with epiandrosterone, 5{beta}-dihydrotestosterone, and {Delta}{sup 4}-androstene-3,17-dione elucidated the structural basis for this functional change. The glutamate-histidine substitution prevents a 3-ketosteroid from penetrating the active site so that hydride transfer is directed toward the C3 carbonyl group rather than the {Delta}{sup 4}-double bond and confers 3{beta}-HSD activity on the 5{beta}-reductase. Structures indicate that stereospecificity of HSD activity is achieved because the steroid flips over to present its {alpha}-face to the A-face of NADPH. This is in contrast to the AKR1C enzymes, which can invert stereochemistry when the steroid swings across the binding pocket. These studies show how a single point mutation in AKR1D1 can introduce HSD activity with unexpected configurational and stereochemical preference.

59 BASIC BIOLOGICAL SCIENCES↗