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NASA NTRS2003

Photoabsorption study of Bacillus megaterium, DNA and Related Biological Materials in the Phosphorus K-edge Region

We have measured the x-ray transmission spectra of several biologically related samples in the phosphorus K-edge absorption region. These include red phosphorus, hydrated sodium phosphate (Na3PO4 12 H2O), deoxyribonucleic acid (DNA), adenosinetriphosphate (ATP), diolylphosphatidyl choline (DOPC), and Bacillus megaterium spores. Red phosphorus essentially displays an edge-jump. All other spectra are similar in form and energy position, where each is dominated by a narrower, more intense first peak and a broader but less intense second peak. The corresponding K-edge absorption thresholds are shifted towards higher energy relative to that for red phosphorus, as expected for increasing degrees of phosphorus oxidation. The B.meguterium spectrum has aspects common to both the phosphate and DNA spectra and is therefore interpreted as a composite of spectra arising from DNA/RNA and phosphates within the spore. The B. megaterium spore spectrum provides needed information for resonant radiation damage studies in the phosphorus K-edge absorption region by identifying candidate photoexcitations. In addition, the absorption spectra will be useful in macromolecular crystallography studies employing anomalous dispersion effects at the phosphorus K-edge.

Frigo, Sean P.↗
NASA NTRS2002

Photoabsorption Study of Bacillus megaterium, DNA and Related Biological Materials in the Phosphorus K-edge Region

We have measured the x-ray transmission spectra of several biologically related samples in the phosphorus K-edge absorption region. These include elemental red phosphorus, hydrated sodium phosphate (Na3PO4.12H2O), deoxyribonucleic acid (DNA), adenosinetriphosphate (ATP), diolylphosphatidyl choline (DOPC), and Bacillus megaterium spores. Elemental red phosphorus essentially displays an edge-jump. All other spectra are similar in form and energy position. Each spectrum for these substances is dominated by a narrower, more intense first peak and a broader but less intense second peak. The corresponding K-edge absorption thresholds are shifted towards higher energy relative to that for elemental red phosphorus, as expected for increasing degrees of phosphorus oxidation. The B. megaterium spectrum has aspects common to both the phosphate and DNA spectra and is therefore interpreted as a composite of spectra arising from DNA/RNA and phosphates within the spore. The B. megaterium spore spectrum provides needed information for resonant radiation damage studies in the phosphorus K-edge absorption region by identifying candidate photoexcitations. In addition,the absorption spectra will be useful in macromolecular crystallography studies employing anomalous dispersion effects at the phosphorus K-edge.

Frigo, Sean P.↗
NASA NTRS2002

On the Structure of the Iron K-Edge

It is shown that the commonly held view of a sharp Fe K edge must be modified if the decay pathways of the series of resonances converging to the K thresholds are adequately taken into account. These resonances display damped Lorentzian profiles of nearly constant widths that are smeared to impose continuity across the threshold. By modeling the effects of K damping on opacities, it is found that the broadening of the K edge grows with the ionization level of the plasma, and the appearance at high ionization of a localized absorption feature at 7.2 keV is identified as the Kbeta unresolved transition array.

Palmeri, P.↗
NASA NTRS2001

Killing of Bacillus Megaterium Spores by X-Rays at the Phosphorus K-Edge

This study continues a progression of experiments on the radiation-induced killing of bacterial spores that began at the Argonne National Laboratory in 1957. A series of aliquots of Bacillus megaterium spores were prepared onto polycarbonate filters and irradiated with photons of 2159 eV compared to 2140 eV energy on the 2-IDB beamline at the Advanced Photon Source. Flux density was approximately 10 photons/sec/mm . The phosphorous K-edge absorption spectrum in these spores was determined to peak at 2159 eV, wheras 2140 eV was determined to be outside that absorption spectrum. Spores on filters were irradiated at ambient conditions, and were either immediately plated for colony formation after irradiation, or were held for postirradiation exposure to oxygen prior to plating. Slopes of survival curves from the four conditions of irradiation, i.e., two photon energies each comparing immediate plating vs postirradiation holding, were used for quantitative determination of differences in rates of spore killing over a range of radiation doses. It was found that spores irradiated at the phosphorus K-edge were killed 20% more efficiently than when irradiated with 2140eV photons, and this was true for both immediate plating and postirradiation holding in air. Postirradiation holding in air increased killing efficiency by about 12% for both photon energies compared to plating immediately after irradiation. The increase of killing efficiency with postirradiation holding is less than expected from earlier experiments using relatively low-flux X-rays, and raises the possibility of dose-mitigation by radical-radical recombination in the case of high-flux X-rays from the synchrotron.

Richmond, Robert C.↗
NASA NTRS2001

Killing of Bacillus Megaterium Spores by X-rays at the Phosphorus K-edge

This study continues a progression of experiments on the radiation-induced killing of bacterial spores that began at the Argonne National Laboratory in 1957. A series of aliquots of Bacillus megaterium spores were prepared onto polycarbonate filters and irradiated with photons of 2159 eV compared to 2140 eV energy on the 2-IDB beamline at the Advanced Photon Source. Flux density was approximately 10(exp 18) photons/sec/sq mm. The phosphorous K-edge absorption spectrum in these spores was determined to peak at 2159 eV, wheras 2140 eV was determined to be outside that absorption spectrum. Spores on filters were irradiated at ambient conditions, and were either immediately plated for colony formation after irradiation, or were held for postirradiation exposure to oxygen prior to plating. Slopes of survival curves from the four conditions of irradiation, i.e., two photon energies each comparing immediate plating vs postirradiation holding, were used for quantitative determination of differences in rates of spore killing over a range of radiation doses. It was found that spores irradiated at the phosphorus K-edge were killed 20% more efficiently than when irradiated with 2140 eV photons, and this was true for both immediate plating and postirradiation holding in air. Postirradiation holding in air increased killing efficiency by about 12% for both photon energies compared to plating immediately after irradiation. The increase of killing efficiency with postirradiation holding is less than expected from earlier experiments using relatively low-flux X-rays, and raises the possibility of dose-mitigation by radical-radical recombination in the case of high-flux X-rays from the synchrotron.

Richmond, Robert C.↗
NASA NTRS2002

Photoionization of the Fe lons: Structure of the K-Edge

X-ray absorption and emission features arising from the inner-shell transitions in iron are of practical importance in astrophysics due to the Fe cosmic abundance and to the absence of traits from other elements in the nearby spectrum. As a result, the strengths and energies of such features can constrain the ionization stage, elemental abundance, and column density of the gas in the vicinity of the exotic cosmic objects, e.g. active galactic nuclei (AGN) and galactic black hole candidates. Although the observational technology in X-ray astronomy is still evolving and currently lacks high spectroscopic resolution, the astrophysical models have been based on atomic calculations that predict a sudden and high step-like increase of the cross section at the K-shell threshold (see for instance. New Breit-Pauli R-matrix calculations of the photoionization cross section of the ground states of Fe XVII in the region near the K threshold are presented. They strongly support the view that the previously assumed sharp edge behaviour is not correct. The latter has been caused by the neglect of spectator Auger channels in the decay of the resonances converging to the K threshold. These decay channels include the dominant KLL channels and give rise to constant widths (independent of n). As a consequence, these series display damped Lorentzian components that rapidly blend to impose continuity at threshold, thus reformatting the previously held picture of the edge. Apparent broadened iron edges detected in the spectra of AGN and galactic black hole candidates seem to indicate that these quantum effects may be at least partially responsible for the observed broadening.

Palmeri, P.↗
NASA NTRSDate not supplied

Investigating Si Bonding Environments in Mercurian Melts

Mercury’s low oxygen fugacity results in lavas with extraordinarily high sulfur contents (> 1 wt%). The high S lowers melt viscosity, but why this occurs is unclear (Mouser et al., 2021). The detection of Si-S bonds (using NMR) in such highly reduced basaltic glasses, suggest that the decreased viscosity is due to changes in the Si bonding environment (Pommier et al., 2023). To investigate further, we synthesized a series of Mercurian glasses at 1 GPa, with S contents ranging from 0-6 wt% and oxygen fugacities from IW-4 to IW-6. The experimental glasses were analyzed by Si K-edge X-ray Absorption Near Edge Structure (XANES) spectroscopy and 29Si Nuclear Magnetic Resonance (NMR). Ongoing analyses will include Raman and Fourier Transform Infrared (FTIR). The 29Si NMR analyses suggest the presence of Si-S bonds in the melts, in agreement with Pommier et al. (2023). The Si K-edge XANES spectra show a decrease in K-edge position of 0.4 to 0.6 eV from terrestrial basalts (at ~IW+3) to the experimental melts at IW-4 to IW-6. This shift suggests a moderate (<20 mole %) amount of Si has shifted to lower valence states (Boujibar et al, 2019). The melts contain 0-6 wt% S, so if the K-edge shifts are the results of Si-S bonding, it implies that the majority of the S in the melts is bonded to Si. However, S K-edge XANES analyses indicate that much of the S is also bonded with Mg and Ca at these low oxygen fugacities (Anzures et al, 2020). The implication is that non-bridging Si-S-(Mg,Ca) bonds are prevalent in the reduced melts, consistent with the decrease in viscosity of the melts being due to melt depolymerization. Overall, our results suggest that dissolution of S into the melts at low fO2 is accomplished through bonding with Si, and is accompanied by significant structural changes that lower melt viscosity. Lower melt viscosities will affect many aspects of Mercury’s evolution, from magma ocean dynamics, to melt migration in the mantle, to eruption dynamics and degassing.

Emily L Fischer↗
NASA NTRS1979

K-shell photoabsorption coefficients of O2, CO2, CO, and N2O

The total photoabsorption coefficient has been measured from 500 to 600 eV around the K edge of oxygen in gases O2, CO2, CO, and N2O by means of a gold continuum source and crystal spectrometer with better than 1-eV resolution. The cross sections are dominated by discrete molecular-orbital transitions below the K-edge energy. A few Rydberg transitions were barely detectable. Broad shape resonances appear at or above the K edge. Additional broad, weak features above the K edge possibly arise from shake up. Quantitative results are given that have about 10% accuracy except on the very strong peaks. All the measured features are discussed in relation to other related measurements and theory.

Barrus, D. M.↗
NASA NTRS1986

The relative fluorescent efficiency of sodium salicylate between 90 and 800 eV

The relative fluorescent quantum efficiency of sodium salicylate was measured between 90 and 800 eV (138 -15 A) by the use of synchrotron radiation. A general increase in efficiency was observed in this spectral range except for abrupt decreases in efficiency at the carbon and oxygen K-edges. Beyond the oxygen K-edge (532 eV) the efficiency increased linearly with the incident photon energy to the limit of the present observations.

Angel, G. C.↗
NASA NTRS1986

Relative fluorescent efficiency of sodium salicylate between 90 and 800 eV

The relative fluorescent quantum efficiency of sodium salicylate was measured between 90 and 800 eV (138-15 A) by the use of synchrotron radiation. A general increase in efficiency was observed in this spectral range except for abrupt decreases in efficiency at the carbon and oxygen K-edges. Beyond the oxygen K-edge (532 eV) the efficiency increased linearly with the incident photon energy to the limit of the present observations.

Angel, G. C.↗
NASA NTRS1991

The energies and structure of X-ray K-absorption edges

Improved screening parameters are employed to compute the K threshold energies E(K) and photoelectric cross sections sigma(K) for the abundant atomic species of the interstellar gas. The E(K)-values for neutral C, N, and O differ from the values currently being employed in X-ray astronomy by several percent. The values are computed in an effective Coulomb field formulation, introducing an 'effective Coulomb' threshold, and convenient formulas are given for the extrapolation of the results to lower energies in the neighborhood of the real threshold energy. Within about 30-200 eV above threshold, the corrected cross sections display structure associated with direct secondary excitation of outer-shell electrons into the continuum. A unified description of this feature of the cross section is introduced, in terms of the secondary threshold energies and core relaxation factors. Both of these factors are computed with the improved screening parameters associated with the one-electron atomic states of the many-electron systems.

Gould, Robert J.↗
NASA NTRS2010

Oxidation States of Grim Glasses in EET79001 Based on Vanadium Valence

Gas-rich impact-melt (GRIM) glasses in SNC meteorites are very rich in Martian atmospheric noble gases and sulfur suggesting a possible occurrence of regolith-derived secondary mineral assemblages in these samples. Previously, we have studied two GRIM glasses, 506 and 507, from EET79001 Lith A and Lith B, respectively, for elemental abundances and spatial distribution of sulfur using EMPA (WDS) and FE-SEM (EDS) techniques and for sulfur-speciation using K-edge XANES techniques. These elemental and FE-SEM micro-graph data at several locations in the GRIM glasses from Shergotty (DBS), Zagami 994 and EET79001, Lith B showed that FeO and SO3 are positively correlated (SO3 represents a mixture of sulfide and sulfate). FE-SEM (EDS) study revealed that the sulfur-rich pockets in these glasses contain numerous micron-sized iron-sulfide (Fe-S) globules sequestered throughout the volume. However, in some areas (though less frequently), we detected significant Fe-S-O signals suggesting the occurrence of iron sulfate. These GRIM glasses were studied by K-edge microXANES techniques for sulfur speciation in association with iron in sulfur-rich areas. In both samples, we found the sulfur speciation dominated by sulfide with minor oxidized sulfur mixed in with various proportions. The abundance of oxidized sulfur was greater in 506 than in 507. Based on these results, we hypothesize that sulfur initially existed as sulfate in the glass precursor materials and, on shock-impact melting of the precursor materials producing these glasses, the oxidized sulfur was reduced to predominately sulfide. In order to further test this hypothesis, we have used microXANES to measure the valence states of vanadium in GRIM glasses from Lith A and Lith B to complement and compare with previous analogous measurements on Lith C (note: 506 and 507 contain the largest amounts of martian atmospheric gases but the gas-contents in Lith C measured by are unknown). Vanadium is ideal for addressing this re-dox issue because it has multiple valence states and is a well-studied element. Ferrous-dominated iron valences determined by microXANES on the Lith A and Lith B glasses provide little redox sensitivity. Vanadium valence measurements for impact glass in Lith C at three different locations yielded valence values of 3.1, 3.2 and 3.4 with inferred fO2 values of IW-0.7, IW-0.1 and IW+0.7, respectively. This range of oxygen-fugacity values is understandable because the glasses are shock-molten impact glasses which are heterogeneous in nature. Oxygen fugacity values obtained from the analysis of Fe-Ti oxides and Eu partitioning in pyroxenes from EET79001 Lith A and Lith B (host lithologies) were in the range of IW+0.3 to IW+1.9 suggesting that V in the Lith C impact glass was reduced in the impact process. Here, we examine whether the 506 from Lith A and 507 from Lith B GRIM glasses yield similar or different fO2 values from those of Lith C using the vanadium K-edge microXANES technique.

Sutton, S. R.↗
NASA NTRS1987

Fe K features as probes of the nuclear reflection region in Seyfert galaxies

The warm electron scattering region posited in 1985 by Antonucci and Miller to exist in NGC 1068 may be a characteristic feature of Seyfert galaxies. Whenever it exists, it presents a unique signature in Fe X-ray features. Predictions of the strength of the Fe K-edge and K-alpha line in both type 1 and type 2 Seyfert galaxies are presented and interpreted.

Krolik, Julian H.↗
NASA NTRS1994

An ASCA GIS spectrum of S5 0014+813 AT z = 3.384

ASCA has detected the z = 3.384 quasar S5 0014+813 up to energies of 34 keV in the quasar rest frame using the two gas imaging spectrometer (GIS) instruments. The combined X-ray spectrum has a signal-to-noise ratio of over 50 sigma and is consistent with a single power law of energy slope 0.63 +/- 0.03 over the 0.8-8 keV (observed) energy range. The spectrum is also well fitted with a simple thermal bremsstrahlung model of kT = 40 +/- 4 keV (in the quasar frame), which raises obvious possibilities for contributions to the diffuse X-ray background. A maximum solid angle of Omega(sub d)/2(pi) = 0.4(90% confidence) can be placed on the strength of a Compton reflection component above the energy of the Fe K-edge. The Fe K 6.4 keV fluorescence line has a rest frame equivalent width less than 120 eV (90% confidence) at its redshifted energy of 1.46 keV. The weakness of these features differentiates this high-luminosity, high-redshift quasar from the majority of Seyfert galaxies using its X-ray spectrum alone. The GIS slope is consistent with the slope derived by the ROSAT Position Sensitive Proportional Counter (PSPC). The normalization at 1 keV in the ASCA observation is, however, a factor 30%-40% higher than in the ROSAT observation, suggesting a significant increase in the 1 keV (observed) flux over the 31.5 months between the two observations (7.2 months, rest frame).

Elvis, Martin↗
NASA NTRS2011

Modeling the Oxygen K Absorption in the Interstellar Medium: An XMM-Newton View of Sco X-1

We investigate the absorption structure of the oxygen in the interstellar medium by analyzing XMM-Newton observations of the low mass X-ray binary Sco X-1. We use simple models based on the O I atomic cross section from different sources to fit the data and evaluate the impact of the atomic data in the interpretation of astrophysical observations. We show that relatively small differences in the atomic calculations can yield spurious results. We also show that the most complete and accurate set of atomic cross sections successfully reproduce the observed data in the 21 - 24.5 Angstrom wavelength region of the spectrum. Our fits indicate that the absorption is mainly due to neutral gas with an ionization parameter of Epsilon = 10(exp -4) erg/sq cm, and an oxygen column density of N(sub O) approx. = 8-10 x 10(exp 17)/sq cm. Our models are able to reproduce both the K edge and the K(alpha) absorption line from O I, which are the two main features in this region. We find no conclusive evidence for absorption by other than atomic oxygen.

Garcia, J.↗
NASA NTRS1991

The Einstein objective grating spectrometer survey of galactic binary X-ray sources

The results of observations of 22 bright Galactic X-ray point sources are presented, and the most reliable measurements to date of X-ray column densities to these sources are derived. The results are consistent with the idea that some of the objects have a component of column density intrinsic to the source in addition to an interstellar component. The K-edge absorption due to oxygen is clearly detected in 10 of the sources and the Fe L and Ne K edges are detected in a few. The spectra probably reflect emission originating in a collisionally excited region combined with emission from a photoionized region excited directly by the central source.

Vrtilek, S. D.↗
NASA NTRS2001

Probing AGN with Masers and X-Rays-SAX Proposals

We have made BeppoSAX observations of the Seyfert 2/1.9 galaxy ESO103-G35, which contains a nuclear maser source and is known to be heavily absorbed in the X-rays. Analysis of the X-ray spectra observed by SAX in October 1996 and 1997 yields an energy index = 0.74 +/- 0.07, typical of Seyfert galaxies and consistent with earlier observations of this source. The strong, soft X-ray absorption has a column density, N_H of (1.79 +/- 0.09)E23 cmE-02, again consistent with earlier results. The best fitting spectrum is that of a power law with a high energy cutoff at 29 +/- 10 keV, a cold (E=6.3 +/- 0.1 keV, rest frame), marginally resolved (sigma = 0.35 +/- 0.14 keV, FWHM approximately (31 +/- 12)E03 km/s) FeKalpha line with EW 290 +100 -80 eV (1996) and a mildly ionized Fe K-edge at 7.37 +0.15 -0.21 keV, tau 0.24 +0.06 -0.09. The Fe Kalpha line and cold absorption are consistent with origin in a accretion disk/torus through which our line-of-sight passes at a radial distance of approximately 0.01 pc. The Fe K-edge is mildly ionized suggesting the presence of ionized gas probably in the inner accretion disk, close to the central source or in a separate warm absorber. The data quality is too low to distinguish between these possibilities but the edge-on geometry implied by the water maser emission favors the former. Comparison with earlier observations of ESO103-G35 shows little/no change in spectral parameters while the flux changes by factors of a few on timescales of a few months. The 2-10 keV flux decreased by a factor of approximately 2.7 between Oct 1996 and Oct 1997 with no detectable change in the count rate greater than 20 keV (i.e. the PDS data). Spectral fits to the combined datasets indicate either a significant hardening of the spectrum (energy index approximately 0.5) or an approximate constant or delayed response reflection component. The high energy cutoff (29 +/- 10 keV) is lower than the typical approximately 300 keV values seen in Seyfert galaxies. A significant subset of similar sources would affect current models of the AGN contribution to the cosmic X-ray background (CXRB) which generally assume a high energy cutoff of approximately 300 keV.

Wilkes, Belinda J.↗
NASA NTRS1994

Spectral study of GX 339-4 in the low-intensity state observed with Ginga

The energy spectra of the black-hole candidate GX 339-4 in the low-intensity state were observed on four occasions through 1989 to 1991 with the Large Area Counter on board the Ginga satellite. The spectra showed significant deviations from a power-law, with an iron K(sub alpha) emission line at approximetaly 6.4 keV and a broad iron K-edge structure above approximately 7 keV. The enrgy spectra above approximately 4 keV were successfully explained with a reflection model, in which part of the incident X-rays with a power-law spectrum is Compton reflected by optically thick matter, resulting in a harder continuum component with iron K-edge absorption and an iron flourescent line. The line equivalent width with respect to the reflection component decreases as the source flux increases. This is consistent with an increase in the ionization state of the material, so that resonant absorption followed by Auger ionization depletes the line. The photon-index of the power-law component was clearly variable, and it correlated with the relative amount of the reflection component. Such a correlation may be explained in the context of the anisotropic Comptonization models of Haardt et al. (1993), or by a variation of the relative geometry of the source and disk.

Ueda, Yoshihiro↗