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DOE OSTI2011

DNA Dynamics Is Likely to Be a Factor in the Genomic Nucleotide Repeats Expansions Related to Diseases

Trinucleotide repeats sequences (TRS) represent a common type of genomic DNA motif whose expansion is associated with a large number of human diseases. The driving molecular mechanisms of the TRS ongoing dynamic expansion across generations and within tissues and its influence on genomic DNA functions are not well understood. Here we report results for a novel and notable collective breathing behavior of genomic DNA of tandem TRS, leading to propensity for large local DNA transient openings at physiological temperature. Our Langevin molecular dynamics (LMD) and Markov Chain Monte Carlo (MCMC) simulations demonstrate that the patterns of openings of various TRSs depend specifically on their length. The collective propensity for DNA strand separation of repeated sequences serves as a precursor for outsized intermediate bubble states independently of the G/C-content. We report that repeats have the potential to interfere with the binding of transcription factors to their consensus sequence by altered DNA breathing dynamics in proximity of the binding sites. These observations might influence ongoing attempts to use LMD and MCMC simulations for TRS–related modeling of genomic DNA functionality in elucidating the common denominators of the dynamic TRS expansion mutation with potential therapeutic applications.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2012

Study of the Two-pion Photoproduction on the Deuteron

Understanding the structure of baryons in terms of the fundamental interaction of the constituent quarks and gluons is one of the primary challenges in strong interaction physics. This interaction is governed by Quantum Chromodynamics (QCD), which is a theory for understanding the dynamics of strong. QCD displays the asymptotic freedom of hadrons at very short distances and also the confinement of quarks and gluons inside hadrons. However, solutions of this QCD theory in the non-perturbative domain of the interaction are extremely difficult to achieve, mainly because confinement happens on the hadronic scale on which the coupling constant is large and prevents any perturbative approach. Thus leaving us with strategies such as lattice QCD or formulating QCD sum rules to get around this problem. In exclusive hadron production the yN interaction is recognized for being a powerful method for investigating hadrons and the mysteries that still exist within the strong interaction. From reactions with the nucleon, the strong interaction can be investigated through the transition amplitudes to the N and Delta resonances. More specifically, if an electromagnetic interaction is well known then the intermediate resonance states may be evaluated through meson photoproduction. To gain more detailed insight into this interaction, we look to probe the baryon structure of the nucleon and the photo-excited resonance decays through photon scattering off a deuteron producing two pions in the final state. This photoproduction process off the deuteron will be used to investigate known baryon resonances in the two pion channel. The two pion final state will be investigated for unraveling new information into the photo-coupling strengths. We want to explore final state interactions, search for properties of known resonances, and to explore the possibility of seeing missing states that are predicted by quark models but have not yet been found experimentally. Using the CEBAF Large Acceptance Spectrometer (CLAS), the hadronic products are detected in coincidence with the incident scattered photon on a deuterium target. This makes it possible to measure the single differential cross sections and the decay angular distributions for the production of two pion final states. The measured cross sections will contribute significantly to a better understanding of the coupling strengths that govern the baryonic and mesonic resonances which will push the knowledge of the strong interaction to a next level. We use CLAS to study the two pion channel from the eg3 data set, for resonance production, specifically investigating the exclusive reaction of yd --> p pi^+pi^?n, and comparing the relevant cross sections to already existing data sets. The eg3 data set provided an excellent data set for investigating photo-induced baryonic and mesonic resonances. It contains a large photon tagging range from 1.1 to 5.5 GeV in the study of photo-coupling strengths, as well as an available two pion reaction channel for resonant decay study. These measurements provide unique and coherent results from tagged photons over a broad range of energy, and represent the only two pion production data above 5 GeV at this present time. We found that the data produced good comparable single-differentials cross sections to other existing CLAS (gll dataset) two pion differential cross sections, and an excellent comparable total cross section to published (ELSA and ABBHHM) two pion total cross sections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

A hard X-ray study of the normal star-forming galaxy M83 with NuSTAR

We present the results from sensitive, multi-epoch NuSTAR observations of the late-type star-forming galaxy M83 (d = 4.6 Mpc). This is the first investigation to spatially resolve the hard (E>10 keV) X-ray emission of this galaxy. The nuclear region and ∼20 off-nuclear point sources, including a previously discovered ultraluminous X-ray source, are detected in our NuSTAR observations. The X-ray hardnesses and luminosities of the majority of the point sources are consistent with hard X-ray sources resolved in the starburst galaxy NGC 253. We infer that the hard X-ray emission is most likely dominated by intermediate accretion state black hole binaries and neutron star low-mass X-ray binaries (Z-sources). We construct the X-ray binary luminosity function (XLF) in the NuSTAR band for an extragalactic environment for the first time. The M83 XLF has a steeper XLF than the X-ray binary XLF in NGC 253, which is consistent with previous measurements by Chandra at softer X-ray energies. The NuSTAR integrated galaxy spectrum of M83 drops quickly above 10 keV, which is also seen in the starburst galaxies NGC 253, NGC 3310, and NGC 3256. The NuSTAR observations constrain any active galactic nucleus (AGN) to be either highly obscured or to have an extremely low luminosity of ≲10{sup 38} erg s{sup −1} (10–30 keV), implying that it is emitting at a very low Eddington ratio. An X-ray point source that is consistent with the location of the nuclear star cluster with an X-ray luminosity of a few times 10{sup 38} erg s{sup −1} may be a low-luminosity AGN but is more consistent with being an X-ray binary.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Accretion flow properties of MAXI J1543-564 during 2011 outburst from the TCAF solution

We derive accretion flow properties of the transient black hole candidate (BHC) MAXI J1543–564 using the RXTE data. We use the two-component advective flow (TCAF) solution to fit the data of the initial rising phase of outburst (from 2011 May 10 to 15). The 2.5–25 keV spectra are fitted using the TCAF solution fits file as a local additive table model in XSPEC. We extract physical flow parameters such as the two-component (Keplerian disk and sub-Keplerian halo) accretion rates and size and the property of the Compton cloud (post-shock region close to a black hole). Similar to other classical transient BHCs, monotonic evolution of low-frequency quasi-periodic oscillations (QPOs) is observed during the rising phase of the outburst, which is fitted with the propagating oscillatory shock (POS) model, which describes how the Compton cloud properties change from day to day. From the nature of variations of TCAF model fitted physical flow parameters and QPOs, we only found hard-intermediate and soft-intermediate spectral states during this phase of the outburst under study. We also calculated the frequency of the dominating QPOs from the TCAF model fitted shock parameters and found that they roughly match with the observed and POS model fitted values. From our spectro-temporal study of the source with TCAF and POS models, the most probable mass of the BHC is found to be 12.6–14.0 M {sub ⊙}, or 13{sub −0.4}{sup +1.0} M{sub ⊙}.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1971

N2/plus/ potential-energy curves

Molecular nitrogen ion potential energy curves based on valence bond method, calculating sextet and quartet states at intermediate internuclear separation distances

Stallcop, J. R.↗

NASA NTRS1979

High-resolution X-ray spectroscopy of M87 with the Einstein observatory - The detection of an O VIII emission line

The paper deals with high-resolution X-ray spectroscopy performed to study the extended source surrounding the giant elliptical galaxy, M87, in the Virgo cluster. From observations carried out with a focal plane crystal spectrometer, L-alpha emission was detected from hydrogenic oxygen (O VIII). Upper limits could be set on lines from intermediate ionization states of iron. The presence of a quantity of cooler matter surrounding M87 was revealed, which has important implications for cluster models and favors a radiatively controlled accretion mechanism.

Canizares, C. R.↗

NASA NTRS1987

Observations of spatial distribution of energetic O(3+), O(4+), and O(5+) ions in the magnetosphere

L profiles of ions with intermediate charge states (O(5+), O(4+), and O(3+) are presented and compared with those of O(+), O(2+), and O(6+) ions in order to determine their possible sources of origin. The L profiles exhibit broad maxima located at L = 6-7 for O(3+) and O(4+) and L = 7-8 for O(5+) ions during periods of low to medium geomagnetic activity. With increasing Kp, the flux versus L distributions extend further earthward and the maxima move to slightly lower L values. While the flux decrease earthward of the maximum is very steep, the gradual decrease outward of the maximum becomes flatter with increasing charge state. These results suggest that O(3+), O(4+), and O(5+) ions are produced predominantly by charge exchange processes, and that the O(4+) and O(5+) ions are produced from the solar wind-originating O(6+).

Kremser, G.↗

NASA NTRS1987

Planning assembly/disassembly operations for space telerobotics

Space telerobotic systems will perform complex tasks of assembly, disassembly, and repair of space-based equipment. Planning such tasks requires reasoning about the functional, physical, and geometrical properties of the equipment, as well as a representation of the characteristics and capabilities of the manipulators and sensors available for the task. The And/Or graph is a useful approach to representation of feasible assembly/disassembly sequences and provides the basis for search among alternative strategies. The paper describes the use of parts entropy measures as evaluation criteria for search in the And/Or graph space. This approach leads to candidate task plans which minimize the complexity of intermediate geometrical states.

Sanderson, Arthur C.↗

NASA NTRS1994

Direct measurement of free-energy barrier to nucleation of crystallites in amorphous silicon thin films

A method is introduced to measure the free-energy barrier W(sup *), the activation energy, and activation entropy to nucleation of crystallites in amorphous solids, independent of the energy barrier to growth. The method allows one to determine the temperature dependence of W(sup *), and the effect of the preparation conditions of the initial amorphous phase, the dopants, and the crystallization methds on W(sup *). The method is applied to determine the free-energy barrier to nucleation of crystallites in amorphous silicon (a-Si) thin films. For thermally induced nucleation in a-Si thin films with annealing temperatures in the range of from 824 to 983 K, the free-energy barrier W(sup *) to nucleation of silicon crystals is about 2.0 - 2.1 eV regardless of the preparation conditions of the films. The observation supports the idea that a-Si transforms into an intermediate amorphous state through the structural relaxation prior to the onset of nucleation of crystallites in a-Si. The observation also indicates that the activation entropy may be an insignificant part of the free-energy barrier for the nucleation of crystallites in a-Si. Compared with the free-energy barrier to nucleation of crystallites in undoped a-Si films, a significant reduction is observed in the free-energy barrier to nucleation in Cu-doped a-Si films. For a-Si under irradiation of Xe(2+) at 10(exp 5) eV, the free-energy barrier to ion-induced nucleation of crystallites is shown to be about half of the value associated with thermal-induced nucleation of crystallites in a-Si under the otherwise same conditions, which is much more significant than previously expected. The present method has a general kinetic basis; it thus should be equally applicable to nucleation of crystallites in any amorphous elemental semiconductors and semiconductor alloys, metallic and polymeric glasses, and to nucleation of crystallites in melts and solutions.

Shi, Frank G.↗

NASA NTRS1999

Mechanosensitive channels in bacteria as membrane tension reporters

The purpose of this short review is to discuss recent data on the molecular structure and mechanism of gating of MscL, a mechanosensitive channel of large conductance from Escherichia coli. MscL is the first isolated molecule shown to convert mechanical stress of the membrane into a simple response, the opening of a large aqueous pore. The functional complex appears to be a stable homo-pentamer of 15-kDa subunits, the gating transitions in which are driven by stretch forces conveyed through the lipid bilayer. We have measured the open probability of MscL and the kinetics of transitions as a function of membrane tension. The parameters extracted from the single-channel current recordings and dose-response curves such as the energy difference between the closed, open, and intermediate conducting states, and the transition-related changes in protein dimensions suggest a large conformational rearrangement of the channel complex. The estimations show that in native conditions MscL openings could be driven primarily by forces of osmotic nature. The thermodynamic and spatial parameters reasonably correlate with the available data on the structure of a single MscL subunit and multimeric organization of the complex. Combined with the functional analysis of mutations, these data give grounds to hypotheses on the nature of the channel mechanosensitivity.

Review↗

NASA NTRS2006

Quantum Entanglement Molecular Absorption Spectrum Simulator

Quantum Entanglement Molecular Absorption Spectrum Simulator (QE-MASS) is a computer program for simulating two photon molecular-absorption spectroscopy using quantum-entangled photons. More specifically, QE-MASS simulates the molecular absorption of two quantum-entangled photons generated by the spontaneous parametric down-conversion (SPDC) of a fixed-frequency photon from a laser. The two-photon absorption process is modeled via a combination of rovibrational and electronic single-photon transitions, using a wave-function formalism. A two-photon absorption cross section as a function of the entanglement delay time between the two photons is computed, then subjected to a fast Fourier transform to produce an energy spectrum. The program then detects peaks in the Fourier spectrum and displays the energy levels of very short-lived intermediate quantum states (or virtual states) of the molecule. Such virtual states were only previously accessible using ultra-fast (femtosecond) laser systems. However, with the use of a single-frequency continuous wave laser to produce SPDC photons, and QEMASS program, these short-lived molecular states can now be studied using much simpler laser systems. QE-MASS can also show the dependence of the Fourier spectrum on the tuning range of the entanglement time of any externally introduced optical-path delay time. QE-MASS can be extended to any molecule for which an appropriate spectroscopic database is available. It is a means of performing an a priori parametric analysis of entangled photon spectroscopy for development and implementation of emerging quantum-spectroscopic sensing techniques. QE-MASS is currently implemented using the Mathcad software package.

Nguyen, Quang-Viet↗

NASA NTRS2013

Mars Sample Return Landed with Red Dragon

A Mars Sample Return (MSR) mission is the highest priority science mission for the next decade as recommended by the recent Decadal Survey of Planetary Science. However, an affordable program to carry this out has not been defined. This paper describes a study that examined use of emerging commercial capabilities to land the sample return elements, with the goal of reducing mission cost. A team at NASA Ames examined the feasibility of the following scenario for MSR: A Falcon Heavy launcher injects a SpaceX Dragon crew capsule and trunk onto a Trans Mars Injection trajectory. The capsule is modified to carry all the hardware needed to return samples collected on Mars including a Mars Ascent Vehicle (MAV), an Earth Return Vehicle (ERV) and Sample Collection and Storage hardware. The Dragon descends to land on the surface of Mars using SuperSonic Retro Propulsion (SSRP) as described by Braun and Manning [IEEEAC paper 0076, 2005]. Samples are acquired and deliverd to the MAV by a prelanded asset, possibly the proposed 2020 rover. After samples are obtained and stored in the ERV, the MAV launches the sample-containing ERV from the surface of Mars. We examined cases where the ERV is delivered to either low Mars orbit (LMO), C3 = 0 (Mars escape), or an intermediate energy state. The ERV then provides the rest of the energy (delta V) required to perform trans-Earth injection (TEI), cruise, and insertion into a Moon-trailing Earth Orbit (MTEO). A later mission, possibly a crewed Dragon launched by a Falcon Heavy (not part of the current study) retrieves the sample container, packages the sample, and performs a controlled Earth re-entry to prevent Mars materials from accidentally contaminating Earth. The key analysis methods used in the study employed a set of parametric mass estimating relationships (MERs) and standard aerospace analysis software codes modified for the MAV class of launch vehicle to determine the range of performance parameters that produced converged spacecraft designs capable of meeting mission requirements. Subsystems modeled in this study included structures, power system, propulsion system, nose fairing, thermal insulation, actuation devices, and GN&C. Best practice application of loads and design margins for all resources were used. Both storable and cryogenic propellant systems were examined. The landed mass and lander capsule size provide boundary conditions for the MAV design and packaging. We estimated the maximum mass the Dragon capsule is capable of landing. This and the volume capability to store the MAV was deduced from publically available data from SpaceX as well as our own engineering and aerodynamic estimates. Minimum gross-liftoff mass (GLOM) for the MAV were obtained for configurations that used pump-fed storable bi-propellant rocket engines for both the MAV and the ERV stage. The GLOM required fits within our internal estimate of the mass that Dragon can land at low elevation/optimal seasons on Mars. Based on the analysis, we show that a single Mars launch sample return mission is feasible using current commercial capabilities to deliver the return spacecraft assets.

Mars Ascent Vehicle (MAV)↗

NASA NTRS2012

Radio Detections During Two State Transitions of the Intermediate-Mass Black Hole HLX-1

Relativistic jets are streams of plasma moving at appreciable fractions of the speed of light. They have been observed from stellar-mass black holes (approx. 3 to 20 solar masses) as well as supermassive black holes (approx.. 10(exp 6) to 10(exp 9) Solar Mass) found in the centers of most galaxies. Jets should also be produced by intermediate-mass black holes (approx. 10(exp 2) to 10(exp 5) Solar Mass), although evidence for this third class of black hole has, until recently, been weak. We report the detection of transient radio emission at the location of the intermediate-mass black hole candidate ESO 243-49 HLX-1, which is consistent with a discrete jet ejection event. These observations also allow us to refine the mass estimate of the black hole to be between approx. 9 × 10(exp 3) Solar Mass and approx. 9 × 10(exp 4) Solar Mass.

transitions↗

NASA NTRS1973

Inelastic Light Scattering Processes

Five different inelastic light scattering processes will be denoted by, ordinary Raman scattering (ORS), resonance Raman scattering (RRS), off-resonance fluorescence (ORF), resonance fluorescence (RF), and broad fluorescence (BF). A distinction between fluorescence (including ORF and RF) and Raman scattering (including ORS and RRS) will be made in terms of the number of intermediate molecular states which contribute significantly to the scattered amplitude, and not in terms of excited state lifetimes or virtual versus real processes. The theory of these processes will be reviewed, including the effects of pressure, laser wavelength, and laser spectral distribution on the scattered intensity. The application of these processes to the remote sensing of atmospheric pollutants will be discussed briefly. It will be pointed out that the poor sensitivity of the ORS technique cannot be increased by going toward resonance without also compromising the advantages it has over the RF technique. Experimental results on inelastic light scattering from I(sub 2) vapor will be presented. As a single longitudinal mode 5145 A argon-ion laser line was tuned away from an I(sub 2) absorption line, the scattering was observed to change from RF to ORF. The basis, of the distinction is the different pressure dependence of the scattered intensity. Nearly three orders of magnitude enhancement of the scattered intensity was measured in going from ORF to RF. Forty-seven overtones were observed and their relative intensities measured. The ORF cross section of I(sub 2) compared to the ORS cross section of N2 was found to be 3 x 10(exp 6), with I(sub 2) at its room temperature vapor pressure.

Fouche, Daniel G.↗

NASA NTRS2018

Black Holes and Neutron Stars in Nearby Galaxies: Insights from NuSTAR

Nearby galaxy surveys have long classified X-ray binaries (XRBs) by the mass category of their donor stars (high-mass and low-mass). The NuSTAR (Nuclear Spectroscopic Telescope Array) observatory, which provides imaging data at E greater than 10 keV (kiloelectronvolts), has enabled the classification of extragalactic XRBs by their compact object type: neutron star (NS) or black hole (BH). We analyzed NuSTAR/Chandra/XMM-Newton observations from a NuSTAR-selected sample of 12 galaxies within 5 Mpc (megaparsecs) having stellar masses (M (sub asterisk)) 10 (sup 7-11) solar masses and star formation rates (SFRs) approximately 0.01-15 solar masses per year. We detected 128 NuSTAR sources to a sensitivity of 10 (sup 38) ergs per second. Using NuSTAR color-intensity and color-color diagrams we classified 43 of these sources as candidate NSs and 47 as candidate BHs. We further subdivide BHs by accretion states (soft, intermediate, and hard) and NSs by weak (Z/Atoll) and strong (accreting pulsar) magnetic field. Using eight normal (Milky Way-type) galaxies in the sample, we confirm the relation between the SFR and galaxy X-ray point source luminosity in the 4-25 and 12-25 keV energy bands. We also constrained galaxy X-ray point source luminosity using the relation L (sub X) equals M (sub asterisk) plus Beta SFR, finding agreement with previous work. The X-ray luminosity function (XLF) of all sources in the 4-25 and 12-25 keV energy bands matches the alpha = 1.6 slope for high-mass XRBs. We find that NS XLFs suggest a decline beginning at the Eddington limit for a 1.4 solar mass NS, whereas the BH fraction shows an approximate monotonic increase in the 4-25 and 12-25 keV energy bands. We calculate the overall ratio of BH to NS to be approximately 1 for 4-25 keV and approximately 2 for 12-25 keV.

Vulic, N.↗

DOE OSTI2013

Cathode material for lithium batteries

A method of manufacture an article of a cathode (positive electrode) material for lithium batteries. The cathode material is a lithium molybdenum composite transition metal oxide material and is prepared by mixing in a solid state an intermediate molybdenum composite transition metal oxide and a lithium source. The mixture is thermally treated to obtain the lithium molybdenum composite transition metal oxide cathode material.

25 ENERGY STORAGE↗

DOE OSTI2015

Cathode material for lithium batteries

25 ENERGY STORAGE↗

DOE OSTI2021

Measurements of the Beam Normal Asymmetry using Polarized Elastic Electron Scattering off Various Spin-0 Nuclei at 1 GeV

In this first part of this thesis, I report on the 1 GeV beam normal asymmetry measurements (AT) on various spin-0 nuclei during PREX-II. In a QED framework, this P-even, T-odd observable is a direct probe of the imaginary part of the two-photon exchange amplitude, since time reversal symmetry dictates AT must vanish in the one-photon approximation. At ultrarelativistic energies, the beam normal asymmetry is sensitive to the hadronic structure of the target nucleus. Calculations of the two-photon exchange amplitude are challenging since one has to consider all intermediate hadronic states in the calculation. The treatment of the states are both model and kinematics dependent. Therefore direct measurements of the beam normal asymmetry can test theory models. For experiments which measure the parity-violating asymmetry APV,the beam normal asymmetry can enter as a false asymmetry for APV when the beam is not 100% longitudinally polarized.

Richards, Ryan↗