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At least 595 records · Page 33

Powder X-ray diffraction of fluorometholone, C 22 H 29 FO 4

Commercial fluorometholone, CAS #426-13-1, crystallizes in the monoclinic space group P 2 1 (#4) with a = 6.40648(2), b = 13.43260(5), c = 11.00060(8) Å, β = 92.8203(5)°, V = 945.517(5) Å 3 , and Z = 2. A reduced cell search in the Cambridge Structural Database yielded one previous structure determination, using single-crystal data at 292 K. In this work, the sample was ordered from the United States Pharmacopeial Convention (Lot # R032K0) and analyzed as-received. The room temperature (295 K) crystal structure was refined using synchrotron ( λ = 0.412826 Å) powder diffraction data and optimized using density functional theory (DFT) techniques. Hydrogen positions were included as a part of the structure and were re-calculated during the refinement. The diffraction data were collected on beamline 11-BM at the Advanced Photon Source, Argonne National Laboratory, and the powder X-ray diffraction pattern of the compound has been submitted to ICDD® for inclusion in the Powder Diffraction File™. The agreement of the Rietveld-refined and DFT-optimized structures is excellent; the root-mean-square Cartesian displacement is 0.060 Å. In addition to the O–H⋯O hydrogen bonds observed by Park et al. (Park, Y. J., Lee, M. Y., and Cho, S. I. ( 1992 ). “Fluorometholone,” J. Korean Chem. Soc. 36 , 812–817), C–H⋯O hydrogen bonds contribute to the crystal energy.

Gonzalez, Diana↗

Mars Rover Sample Return: A sample collection and analysis strategy for exobiology

For reasons defined elsewhere it is reasonable to search for biological signatures, both chemical and morphological, of extinct life on Mars. Life on Earth requries the presence of liquid water, therefore, it is important to explore sites on Mars where standing bodies of water may have once existed. Outcrops of layered deposits within the Valles Marineris appear to be ancient lake beds. Because the outcrops are well exposed, relatively shallow core samples would be very informative. The most important biological signature to detect would be organics, microfossils, or larger stromato-like structures, although the presence of cherts, carbonates, clays, and shales would be significant. In spite of the limitations of current robotics and pattern recognition, and the limitations of rover power, computation, Earth communication bandwidth, and time delays, a partial scenario was developed to implement such a scientific investigation. The rover instrumentation and the procedures and decisions and IR spectrometer are described in detail. Preliminary results from a collaborative effort are described, which indicate the rover will be able to autonomously detect stratification, and hence will ease the interpretation burden and lead to greater scientific productivity during the rover's lifetime.

Sims, M. H.↗

Nuclear forensic analysis of an unknown uranium ore concentrate sample seized in a criminal investigation in Australia

In early 2009, a state policing agency raided a clandestine drug laboratory in a suburb of a major city in Australia. While searching the laboratory, they discovered a small glass jar labelled “Gamma Source” and containing a green powder. The powder was radioactive. This paper documents the detailed nuclear forensic analysis undertaken to characterize and identify the material and determine its provenance. Isotopic and impurity content, phase composition, microstructure and other characteristics were measured on the seized sample, and the results were compared with similar material obtained from the suspected source (ore and ore concentrate material). While an extensive range of parameters were measured, the key ‘nuclear forensic signatures’ used to identify the material were the U isotopic composition, Pb and Sr isotope ratios, and the rare earth element pattern. These measurements, in combination with statistical analysis of the elemental and isotopic content of the material against a database of uranium ore concentrates sourced from mines located worldwide, led to the conclusion that the seized material (a uranium ore concentrate of natural isotopic abundance) most likely originated from Mary Kathleen, a former Australian uranium mine.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Wind-Related Features and Processes on Venus Summary of Magellan Results

A search of Magellan synthetic aperture radar images covering about 98% of the venusian surface shows that aeolian features occur at all longitudes and latitudes. A global data base for wind streaks, the most common type of aeolian feature, was developed. For each of the 5970 streaks in the data base, information was compiled on location, streak type, radar backscatter, dimensions, azimuth, orientation with respect to local slope, and type of landform with which it is associated. In addition, streaks occurring in association with parabolic ejecta deposits were designated type P streaks, which constitute about 31% of the data base. Wind streak azimuths were analyzed to assess wind patterns at the time of their formation. Both hemispheres show strong westward and equatorward trends in azimuths, consistent with Hadley circulation and inferred upper atmospheric westward zonal winds. When type P streaks (those considered to result from transient impact events) were removed, the westward component was greatly reduced, suggesting that the upper zonal winds do not extend to the surface. The presence of equator-oriented streaks at high latitudes suggests that Hadley circulation extends to the poles. A field of possible yardangs found southwest of Mead Crater strikes NE-SW and occupies plains situated in a shallow topographic depression. Analysis of non-type P streaks in the area suggests that equatorward winds are funneled through the depression and are responsible for the erosion of the terrain to form the yardangs. Dune deposits are limited on Venus. Two dune fields were identified (Aglonice and Fortuna-Meshkenet) which total in area about 18,300 square km. Microdunes are proposed for some southern hemisphere areas which show distinctive radar reflectivities. Bragg scattering and/or subpixel reflections from the leeward faces of microdune bedforms could account for the unusual radar backscatter cross sections.

Greeley, Ronald↗

Wind-Related Features and Processes on Venus: Summary of Magellan Results

A search of Magellan synthetic aperture radar images covering approximately 98% of the venusian surface shows that aeolian features occur at all longitudes and latitudes. A global data base for wind streaks, the most common type of aeolian feature, was developed. For each of the 5970 streaks in the data base, information was compiled on location, streak type, radar backscatter, dimensions, azimuth, orientation with respect to local slope, and type of landform with which it is associated. In addition, streaks occurring in association with parabolic ejecta deposits were designated type P streaks, which constitute about 31% of the data base. Wind streak azimuths were analyzed to assess wind patterns at the time of their formation. Both hemispheres show strong westward and equatorward trends in azimuths, consistent with Hadley circulation and inferred upper atmospheric westward zonal winds. When type P streaks (those considered to result from transient impact events) were removed, the westward component was greatly reduced, suggesting that the upper zonal winds do not extend to the surface. The presence of equator-oriented streaks at high latitudes suggests that Hadley circulation extends to the poles. A field of possible yardangs found southwest of Mead Crater strikes NE-SW and occupies plains situated in a shallow topographic depression. Analysis of non-type P streaks in the area suggests that equatorward winds are funneled through the depression and are responsible for the erosion of the terrain to form the yardangs. Dune deposits are limited on Venus. Two dune fields were identified (Aglonice and Fortuna-Meshkenet) which total in area about 18,300 sq km. Microdunes are proposed for some southern hemisphere areas which show distinctive radar reflectivities. Bragg scattering and/or subpixel reflections from the leeward faces of microdune bedforms could account for the unusual radar backscatter cross sections.

Greeley, Ronald↗

Electronic and magnetic structures of a mixed triple perovskite: Ba 3 NiRuIrO 9

In search of spin-orbit coupling driven nonmagnetic J = 0 ground state and excitonic magnetism, various pentavalent iridates have been studied in recent years. However, a finite moment was observed in most of the cases due to solid state effects. Here, in this work, we investigate the electronic and magnetic structure of 6H hexagonal compound Ba 3 NiRuIrO 9 , where Ir 5+ is present along with magnetic Ni 2+ and Ru 5+ ions. Magnetic susceptibility measurements and neutron powder diffraction (NPD) experiments demonstrate the appearance of short-range magnetic ordering below 170 K and a long-range antiferromagnetic ordering below 80 K. The refinement of the NPD pattern further shows that the Ru and Ir moments interact antiferromagnetically within the dimer and interact ferromagnetically with the Ni sublattice. These experimental findings have been complemented by first-principles density functional theory calculations incorporating spin-orbit coupling effects and electronic correlations for the transitional metal d states. The computed magnetocrystalline anisotropy is also found to be significant and the crystallographic c axis comes out to be the easy axis of magnetization, consistent with the spin alignment direction found from NPD. This study shows that the mixed ruthenate iridate triple perovskite series is a promising family to study the interplay among spin-orbit coupling, electron correlation, and electron filling as a variety of Ba 3 M RuIrO 9 with M as a transition metal ion, rare-earth ion, and alkali metal ions can be synthesized.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Study of serious adverse drug reactions using FDA-approved drug labeling and MedDRA

Background Adverse Drug Reactions (ADRs) are of great public health concern. FDA-approved drug labeling summarizes ADRs of a drug product mainly in three sections, i.e., Boxed Warning (BW), Warnings and Precautions (WP), and Adverse Reactions (AR), where the severity of ADRs are intended to decrease in the order of BW > WP > AR. Several reported studies have extracted ADRs from labeling documents, but most, if not all, did not discriminate the severity of the ADRs by the different labeling sections. Such a practice could overstate or underestimate the impact of certain ADRs to the public health. In this study, we applied the Medical Dictionary for Regulatory Activities (MedDRA) to drug labeling and systematically analyzed and compared the ADRs from the three labeling sections with a specific emphasis on analyzing serious ADRs presented in BW, which is of most drug safety concern. Results This study investigated New Drug Application (NDA) labeling documents for 1164 single-ingredient drugs using Oracle Text search to extract MedDRA terms. We found that only a small portion of MedDRA Preferred Terms (PTs), 3819 out of 21,920 or 17.42%, were observed in a whole set of documents. In detail, 466/3819 (12.0%) PTs were in BW, 2023/3819 (53.0%) were in WP, and 2961/3819 (77.5%) were in AR sections. We also found a higher overlap of top 20 occurring BW PTs with WP sections compared to AR sections. Within the MedDRA System Organ Class levels, serious ADRs (sADRs) from BW were prevalent in Nervous System disorders and Vascular disorders. A Hierarchical Cluster Analysis (HCA) revealed that drugs within the same therapeutic category shared the same ADR patterns in BW (e.g., nervous system drug class is highly associated with drug abuse terms such as dependence, substance abuse, and respiratory depression). Conclusions This study demonstrated that combining MedDRA standard terminologies with data mining techniques facilitated computer-aided ADR analysis of drug labeling. We also highlighted the importance of labeling sections that differ in seriousness and application in drug safety. Using sADRs primarily related to BW sections, we illustrated a prototype approach for computer-aided ADR monitoring and studies which can be applied to other public health documents.

59 BASIC BIOLOGICAL SCIENCES↗

A Search for Signs of Life and Habitability on Europa

Europa is a key target in the search for life beyond the Earth because of consistent evidence that below the icy surface there is liquid water. Future missions to Europa could confirm the presence and nature of the ocean and determine the thickness of the ice layer. Confirming the presence of an ocean and determining the habitability of Europa are key astrobiology science objectives. Nevertheless, the highest priority objective for astrobiology will be a search for life. How could a search for life be accomplished on a near-term mission given the thick ice cover? One answer may lie in the surface materials. If Europa has an ocean, and if that ocean contains life, and if water from the ocean is carried up to the surface, then signs of life may be contained in organic material on the surface. Organics that derive from biological processes (dead organisms) are distinct from organics derived from non-biological processes in several aspects. First, biology is selective and specific in its use of molecules. For example, Earth life uses 20 left-handed amino acids. Second, biology can leave characteristic isotopic patterns. Third, biology often produces large complex molecules in high concentrations, for example lipids. Organic material that has been on the surface of Europa for long periods of time would be reprocessed by the strong radiation field probably erasing any signature of biological origin. Evidence of life in the ocean may be found on the surface of Europa if regions of the surface contained relatively recent material carried up from the ocean through cracks in the icy lithosphere. But organic material that has been on the surface of Europa for long periods of time would be reprocessed by the strong radiation field probably erasing any signature of biological origin. Thus, the detailed analysis required may not be possible via remote sensing but direct sampling of the material below the radiation processed upper meter is probably required.

Fonda, Mark↗

The CheMin XRD on the Mars Science Laboratory Rover Curiosity: Construction, Operation, and Quantitative Mineralogical Results from the Surface of Mars

The Mars Science Laboratory mission was launched from Cape Canaveral, Florida on Nov. 26, 2011 and landed in Gale crater, Mars on Aug. 6, 2012. MSL's mission is to identify and characterize ancient "habitable" environments on Mars. MSL's precision landing system placed the Curiosity rover within 2 km of the center of its 20 X 6 km landing ellipse, next to Gale's central mound, a 5,000 meter high pile of laminated sediment which may contain 1 billion years of Mars history. Curiosity carries with it a full suite of analytical instruments, including the CheMin X-ray diffractometer, the first XRD flown in space. CheMin is essentially a transmission X-ray pinhole camera. A fine-focus Co source and collimator transmits a 50μm beam through a powdered sample held between X-ray transparent plastic windows. The sample holder is shaken by a piezoelectric actuator such that the powder flows like a liquid, each grain passing in random orientation through the beam over time. Forward-diffracted and fluoresced X-ray photons from the sample are detected by an X-ray sensitive Charge Coupled Device (CCD) operated in single photon counting mode. When operated in this way, both the x,y position and the energy of each photon are detected. The resulting energy-selected Co Kalpha Debye-Scherrer pattern is used to determine the identities and amounts of minerals present via Rietveld refinement, and a histogram of all X-ray events constitutes an X-ray fluorescence analysis of the sample.The key role that definitive mineralogy plays in understanding the Martian surface is a consequence of the fact that minerals are thermodynamic phases, having known and specific ranges of temperature, pressure and composition within which they are stable. More than simple compositional analysis, definitive mineralogical analysis can provide information about pressure/temperature conditions of formation, past climate, water activity and the like. Definitive mineralogical analyses are necessary to establish the origin or provenance of a sample. The search for evidence of extant or extinct life on Mars will initially be a search for evidence of present or past conditions supportive of life (e.g., evidence of water), not for life itself.Results of the first 1,000 sols (Mars days) will be discussed, including the discovery of the first habitable environment on Mars.

CheMin↗

Structured sequences emerge from random pool when replicated by templated ligation

The central question in the origin of life is to understand how structure can emerge from randomness. The Eigen theory of replication states, for sequences that are copied one base at a time, that the replication fidelity has to surpass an error threshold to avoid that replicated specific sequences become random because of the incorporated replication errors [M. Eigen, Naturwissenschaften 58 (10), 465–523 (1971)]. Here, we showed that linking short oligomers from a random sequence pool in a templated ligation reaction reduced the sequence space of product strands. We started from 12-mer oligonucleotides with two bases in all possible combinations and triggered enzymatic ligation under temperature cycles. Surprisingly, we found the robust creation of long, highly structured sequences with low entropy. At the ligation site, complementary and alternating sequence patterns developed. However, between the ligation sites, we found either an A-rich or a T-rich sequence within a single oligonucleotide. Our modeling suggests that avoidance of hairpins was the likely cause for these two complementary sequence pools. What emerged was a network of complementary sequences that acted both as templates and substrates of the reaction. This self-selecting ligation reaction could be restarted by only a few majority sequences. The findings showed that replication by random templated ligation from a random sequence input will lead to a highly structured, long, and nonrandom sequence pool. This is a favorable starting point for a subsequent Darwinian evolution searching for higher catalytic functions in an RNA world scenario.

60 APPLIED LIFE SCIENCES↗

LINEBACkER: Bio-inspired Data Reduction Toward Real Time Network Traffic Analysis

Abstract—One essential component of resilient cyber applications is the ability to detect adversaries and protect systems with the same flexibility adversaries will use to achieve their goals. Current detection techniques do not enable this degree of flexibility because most existing applications are built using exact or regular-expression matching to libraries of rule sets. Further, network traffic defies traditional cyber security approaches that focus on limiting access based on the use of passwords and examination of lists of installed or downloaded programs. These approaches do not readily apply to network traffic occurring beyond the access control point, and when the data in question are combined control and payload data of ever increasing speed and volume. Manual analysis of network traffic is not normally possible because of the magnitude of the data that is being exchanged and the length of time that this analysis takes. At the same time, using an exact matching scheme to identify malicious traffic in real time often fails because the lists against which such searches must operate grow too large. In this work, we introduce an alternative method for cyber network detection based on similarity-measuring algorithms for gene sequence analysis. These methods are ideal because they were designed to identify similar but nonidentical sequences. We demonstrate that our method is generally applicable to the problem of network traffic analysis by illustrating its use in two different areas both based on different attributes of network traffic. Our approach provides a logical framework for organizing large collections of network data, prioritizing traffic of interest to human analysts, and makes it possible to discover traffic signatures without the bias introduced by expert-directed signature generation. Pattern recognition on reduced representations of network traffic offers a fast, efficient, and more robust way to detect anomalies.

Teuton, Jeremy R.↗

Anatomy of the electroweak phase transition for dark sector induced baryogenesis

We investigate the electroweak phase transition patterns for a recently proposed baryogenesis model with CP violation originated in the dark sector. The model includes a complex scalar singlet-Higgs boson portal, a U(1) l gauge lepton symmetry with a Z ' gauge boson portal and a fermionic dark matter particle. We find a novel thermal history of the scalar sector, featuring a Z 2 breaking singlet vacuum in the early Universe driven by a dark Yukawa coupling, that induces a one-step strongly first order electroweak phase transition. We explore the parameter space that generates the observed matter-antimatter asymmetry and dark matter relic abundance, while being consistent with constraints from electric dipole moment, collider searches, and dark matter direct detection bounds. The complex singlet can be produced via the Higgs portal and decays into Standard Model particles after traveling a certain distance. We explore the reach for long-lived singlet scalars at the 13 TeV Large Hadron Collider with \( \mathcal{L} \) = 139 fb - 1 and show its impact on the parameter space of the model. Setting aside currently unresolved theoretical uncertainties, we estimate the gravitational wave signatures detectable at future observatories.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

X-ray and γ-ray studies of the millisecond pulsar and possible X-ray binary/radio pulsar transition object PSR J1723-2837

We present X-ray observations of the 'redback' eclipsing radio millisecond pulsar (MSP) and candidate radio pulsar/X-ray binary transition object PSR J1723-2837. The X-ray emission from the system is predominantly non-thermal and exhibits pronounced variability as a function of orbital phase, with a factor of ∼2 reduction in brightness around superior conjunction. Such temporal behavior appears to be a defining characteristic of this variety of peculiar MSP binaries and is likely caused by a partial geometric occultation by the main-sequence-like companion of a shock within the binary. There is no indication of diffuse X-ray emission from a bow shock or pulsar wind nebula associated with the pulsar. We also report on a search for point source emission and γ-ray pulsations in Fermi Large Area Telescope data using a likelihood analysis and photon probability weighting. Although PSR J1723-2837 is consistent with being a γ-ray point source, due to the strong Galactic diffuse emission at its position a definitive association cannot be established. No statistically significant pulsations or modulation at the orbital period are detected. For a presumed detection, the implied γ-ray luminosity is ≲5% of its spin-down power. This indicates that PSR J1723-2837 is either one of the least efficient γ-ray producing MSPs or, if the detection is spurious, the γ-ray emission pattern is not directed toward us.

79 ASTRONOMY AND ASTROPHYSICS↗

Turbine blade-tip clearance excitation forces

The results of an effort to assess the existing knowledge and plan the required experimentation in the area of turbine blade tip excitation forces is summarized. The work was carried out in three phases. The first was a literature search and evaluation, which served to highlight the state of the art and to expose the need for an articulated theoretical experimental effort to provide not only design data, but also a rational framework for their extrapolation to new configurations and regimes. The second phase was a start in this direction, in which several of the explicit or implicit assumptions contained in the usual formulations of the Alford force effect were removed and a rigorous linearized flow analysis of the behavior of a nonsymmetric actuator disc was carried out. In the third phase a preliminary design of a turbine test facility that would be used to measure both the excitation forces themselves and the flow patterns responsible for them were conducted and do so over a realistic range of dimensionless parameters.

Martinez-Sanchez, M.↗

Heavy resonances and the electroweak effective theory

Taking into account the negative results of direct searches for beyond the Standard Model fields and the consequent mass gap between Standard Model and possible unknown states, the use of electroweak effective theories is justified. Whereas at low energies we consider a non-linear realization of the electroweak symmetry breaking with a singlet Higgs and a strongly-coupled ultraviolet completion, at higher energies the known particles are assumed to be coupled to heavy states: bosonic fields with $J^P=0^\pm$ and $J^P=1^\pm$ (in electroweak triplets or singlets and in QCD octets or singlets) and fermionic states with $J=\frac{1}{2}$ (in electroweak doublets and in QCD triplets or singlets). By integrating out these heavy resonances, the pattern of next-to-leading order low-energy constants among the light fields can be studied. A phenomenological study trying to estimate the scale of these resonances is also shown.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Locating buildings in aerial photos

Algorithms and techniques for use in the identification and location of large buildings in digitized copies of aerial photographs are developed and tested. The building data would be used in the simulation of objects located in the vicinity of an airport that may be detected by aircraft radar. Two distinct approaches are considered. Most building footprints are rectangular in form. The first approach studied is to search for right-angled corners that characterize rectangular objects and then to connect these corners to complete the building. This problem is difficult because many nonbuilding objects, such as street corners, parking lots, and ballparks often have well defined corners which are often difficult to distinguish from rooftops. Furthermore, rooftops come in a number of shapes, sizes, shadings, and textures which also limit the discrimination task. The strategy used linear sequences of different samples to detect straight edge segments at multiple angles and to determine when these segments meet at approximately right-angles with respect to each other. This technique is effective in locating corners. The test image used has a fairly rectangular block pattern oriented about thirty degrees clockwise from a vertical alignment, and the overall measurement data reflect this. However, this technique does not discriminate between buildings and other objects at an operationally suitable rate. In addition, since multiple paths are tested for each image pixel, this is a time consuming task. The process can be speeded up by preprocessing the image to locate the more optimal sampling paths. The second approach is to rely on a human operator to identify and select the building objects and then to have the computer determine the outline and location of the selected structures. When presented with a copy of a digitized aerial photograph, the operator uses a mouse and cursor to select a target building. After a button on the mouse is pressed, with the cursor fully within the perimeter of the building, the program scans from the position of the cursor to a perimeter position where a shift in grayscale is detected. Once at the perimeter, the process traces along it, around the building, until it eventually returns to the perimeter starting point. Spatial resolution limits cause the perimeter trace to be somewhat course so that a line straightening algorithm is employed. One result is that the building corner positions become more distinctly defined.

Green, James S.↗

Formation of TbCu7-type CeFe10Zr0.8 by rapid solidification

We report the discovery of a new ternary compound prepared by melt spinning induction melted ingot of nominal composition CeFe11Zr. The sample melt spun at v(s) = 25 m/s exhibits the hexagonal TbCu7-type structure of space group P6/mmm. Through fitting the experimental X-ray diffraction pattern by Rietveld method, we have successfully derived the crystal structure of the new compound melt spun at v(s) = 25 m/s to be CeFe10Zr0.8. Subsequent density function theory calculation fully supports the chemical stability of the new ternary compound. Annealing test showed that the melt spun CeFe10Zr0.8 is stable up to 700 degrees C and annealing at higher temperature would cause it to decompose into hexagonal Ce2Fe17-type structure and ZrFe2. The Curie temperature measurement found that CeFe10Zr0.8 boasts a T-c = 181 degrees C, which is higher than the Tc values of all known Ce-Fe binary compounds, and 30 degrees C higher than that of Ce2Fe14B. These interesting properties stimulate continued search for new Ce-based permanent magnets that could be a cost effective solution to engineering needs in the future. (c) 2013 Elsevier B.V. All rights reserved.

Zhou, C↗