Exact exchange-correlation potentials of singlet two-electron systems

NASA Astrophysics Data System (ADS)

Ryabinkin, Ilya G.; Ospadov, Egor; Staroverov, Viktor N.

2017-10-01

We suggest a non-iterative analytic method for constructing the exchange-correlation potential, v XC ( r ) , of any singlet ground-state two-electron system. The method is based on a convenient formula for v XC ( r ) in terms of quantities determined only by the system's electronic wave function, exact or approximate, and is essentially different from the Kohn-Sham inversion technique. When applied to Gaussian-basis-set wave functions, the method yields finite-basis-set approximations to the corresponding basis-set-limit v XC ( r ) , whereas the Kohn-Sham inversion produces physically inappropriate (oscillatory and divergent) potentials. The effectiveness of the procedure is demonstrated by computing accurate exchange-correlation potentials of several two-electron systems (helium isoelectronic series, H2, H3 + ) using common ab initio methods and Gaussian basis sets.

Methylglyoxal, the foe and friend of glyoxalase and Trx/TrxR systems in HT22 nerve cells.

PubMed

Dafre, A L; Goldberg, J; Wang, T; Spiegel, D A; Maher, P

2015-12-01

Methylglyoxal (MGO) is a major glycating agent that reacts with basic residues of proteins and promotes the formation of advanced glycation end products (AGEs) which are believed to play key roles in a number of pathologies, such as diabetes, Alzheimer's disease, and inflammation. Here, we examined the effects of MGO on immortalized mouse hippocampal HT22 nerve cells. The endpoints analyzed were MGO and thiol status, the glyoxalase system, comprising glyoxalase 1 and 2 (GLO1/2), and the cytosolic and mitochondrial Trx/TrxR systems, as well as nuclear Nrf2 and its target genes. We found that nuclear Nrf2 is induced by MGO treatment in HT22 cells, as corroborated by induction of the Nrf2-controlled target genes and proteins glutamate cysteine ligase and heme oxygenase 1. Nrf2 knockdown prevented MGO-dependent induction of glutamate cysteine ligase and heme oxygenase 1. The cystine/glutamate antiporter, system xc(-), which is also controlled by Nrf2, was also induced. The increased cystine import (system xc(-)) activity and GCL expression promoted GSH synthesis, leading to increased levels of GSH. The data indicate that MGO can act as both a foe and a friend of the glyoxalase and the Trx/TrxR systems. At low concentrations of MGO (0.3mM), GLO2 is strongly induced, but at high MGO (0.75 mM) concentrations, GLO1 is inhibited and GLO2 is downregulated. The cytosolic Trx/TrxR system is impaired by MGO, where Trx is downregulated yet TrxR is induced, but strong MGO-dependent glycation may explain the loss in TrxR activity. We propose that Nrf2 can be the unifying element to explain the observed upregulation of GSH, GCL, HO1, TrxR1, Trx2, TrxR2, and system xc(-) system activity. Copyright © 2015. Published by Elsevier Inc.

Ion-conduction and rigidity/flexibility of glasses

NASA Astrophysics Data System (ADS)

Novita, D. I.; Boolchand, P.; Malki, M.; Micoulaut, M.

2007-03-01

The (AgI)x(AgPO3)1-x solid electrolyte glass system has been examined extensively although a consensus on the increase of electrical conductivity with x data has been elusive. Here we show that the variability of the data is likely due to water contamination. Our work is on specifically prepared dry samples which display glass transition temperatures Tg(x) that are at least 50 to 100 C higher than those reported hitherto. In Raman scattering the frequency of the P-Ot bonds in PO4 tetrahedra of long chains is found to systematically red-shift with increasing x, and to display thresholds near x= xc(1) =0.095(3)(stress-transition) and x =xc(2) = 0.379(5)(rigidity transition). Calorimetric measurements show a reversibility window in the 0.09 < x < 0.38 range. Room temperature electrical conductivity, σ(x), increases with x to display thresholds near xc(1) and xc(2), and a logarithmic increase at x> xc(2) with a power-law μ = 1.78(10) that is in good agreement with theoretical predictions^1. Properties of flexibility and rigidity of backbones commonplace in covalent systems^2 is a concept that extends to solid electrolyte glasses as well. ^1Richard Zallen, Physics of Amorphous Solids ^2 P. Boolchand et al. Phil. Mag 85, 3823 (2005)

Distribution of the cystine/glutamate antiporter system xc- in the brain, kidney, and duodenum.

PubMed

Burdo, Joseph; Dargusch, Richard; Schubert, David

2006-05-01

System x(c)(-), one of the main transporters responsible for central nervous system cystine transport, is comprised of two subunits, xCT and 4F2hc. The transport of cystine into cells is rate limiting for glutathione synthesis, the major antioxidant and redox cofactor in the brain. Alterations in glutathione status are prevalent in numerous neurodegenerative diseases, emphasizing the importance of proper cystine homeostasis. However, the distribution of xCT and 4F2hc within the brain and other areas has not been described. Using specific antibodies, both xCT and 4F2hc were localized predominantly to neurons in the mouse and human brain, but some glial cells were labeled as well. Border areas between the brain proper and periphery including the vascular endothelial cells, ependymal cells, choroid plexus, and leptomeninges were also highly positive for the system x(c)(-) components. xCT and 4F2hc are also present at the brush border membranes in the kidney and duodenum. These results indicate that system x(c)(-) is likely to play a role in cellular health throughout many areas of the brain as well as other organs by maintaining intracellular cystine levels, thereby resulting in low levels of oxidative stress.

XMOS XC-2 Development Board for Mechanical Control and Data Collection

NASA Technical Reports Server (NTRS)

Jarnot, Robert F.; Bowden, William J.

2011-01-01

The scanning microwave limb sounder (SMLS) will use technological improvements in low-noise mixers to provide precise data on the Earth s atmospheric composition with high spatial resolution. This project focuses on the design and implementation of a realtime control system needed for airborne engineering tests of the SMLS. The system must coordinate the actuation of optical components using four motors with encoder readback, while collecting synchronized telemetric data from a GPS receiver and 3-axis gyrometric system. A graphical user interface for testing the control system was also designed using Python. Although the system could have been implemented with an FPGA(fieldprogrammable gate array)-based setup, a processor development kit manufactured by XMOS was chosen. The XMOS architecture allows parallel execution of multiple tasks on separate threads, making it ideal for this application. It is easily programmed using XC (a subset of C). The necessary communication interfaces were implemented in software, including Ethernet, with significant cost and time reduction compared to an FPGA-based approach. A simple approach to control the chopper, calibration mirror, and gimbal for the airborne SMLS was needed. The XMOS board allows for multiple threads and real-time data acquisition. The XC-2 development kit is an attractive choice for synchronized, real-time, event-driven applications. The XMOS is based on the transputer microprocessor architecture developed for parallel computing, which is being revamped in this new platform. The XMOS device has multiple cores capable of running parallel applications on separate threads. The threads communicate with each other via user-defined channels capable of transmitting data within the device. XMOS provides a C-based development environment using XC, which eliminates the need for custom tool kits associated with FPGA programming. The XC-2 has four cores and necessary hardware for Ethernet I/O.

Digital ultrasonic signal processing: Primary ultrasonics task and transducer characterization use and detailed description

NASA Technical Reports Server (NTRS)

Hammond, P. L.

1979-01-01

This manual describes the use of the primary ultrasonics task (PUT) and the transducer characterization system (XC) for the collection, processing, and recording of data received from a pulse-echo ultrasonic system. Both PUT and XC include five primary functions common to many real-time data acquisition systems. Some of these functions are implemented using the same code in both systems. The solicitation and acceptance of operator control input is emphasized. Those operations not under user control are explained.

Magnetic structure in Mn1 -xCoxGe compounds

NASA Astrophysics Data System (ADS)

Altynbaev, E.; Siegfried, S.-A.; Strauß, P.; Menzel, D.; Heinemann, A.; Fomicheva, L.; Tsvyashchenko, A.; Grigoriev, S.

2018-04-01

The magnetic system of the pseudobinary compound Mn1 -xCoxGe has been studied using small-angle neutron scattering and susceptibility measurements. It is found that Mn1 -xCoxGe orders magnetically at low temperatures in the whole concentration range of x ∈[0 /0.9 ] . Four different states of the magnetic structure have been found at low temperatures: the long-range-ordered (LRO) short-period helical magnetic structure at x

Reversing Breast Cancer-Induced Immune Suppression

DTIC Science & Technology

2014-09-01

Species MDSC: Myeloid-Derived Suppressor Cells PI: Propidium iodide xC-: System xC- xCT: Cystine/Glutamate Antiporter Project Summary Aim 1- In...animals may live longer due to enhanced resistance to metastasis. Resistance to metastasis requires a competent immune system [27]. Since Nrf2...Smith C, Chang MY, Parker KH, Beury DW, DuHadaway JB, Flick HE, Boulden J, Sutanto-Ward E, Soler AP, Laury-Kleintop LD, Mandik-Nayak L, Metz R, Ostrand

First principles study of Al and C-doped MgB2: evolution of two gaps and critical temperature

NASA Astrophysics Data System (ADS)

de La Peña-Seaman, Omar; de Coss, Romeo; Heid, Rolf; Bohnen, Klaus-Peter

2008-03-01

We have studied the electron-phonon and superconducting properties of the Mg1-xAlxB2 and MgB2(1-x)C2x alloys within the framework of density functional perturbation theory, using a mixed-basis pseudopotential method and the virtual crystal approximation (VCA) for modeling the alloys. For both systems, the Eliashberg spectral function (2̂F(φ)) and the electron-phonon coupling parameter (λ) have been calculated in the two band model (σ,π) for several concentrations until x(Al)=0.55 and x(C)=0.175. Using the calculated 2̂ijF(φ) and a diagonal expression for the Coulomb pseudopotential matrix, &*circ;, we solved numerically the Eliashberg gap equations in the two band model without interband scattering. We reproduce the experimental decreasing behavior of δσ(x), δπ(x), and Tc(x) for both alloy systems. The role of the interband scattering in the observed behavior of the superconducting gaps and Tc in the Al- and C-MgB2 alloys is discussed. This research was supported by Consejo Nacional de Ciencia y Tecnolog'ia (Conacyt) under Grant No. 43830-F.

Deploying Darter A Cray XC30 System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fahey, Mark R; Budiardja, Reuben D; Crosby, Lonnie D

TheUniversityofTennessee,KnoxvilleacquiredaCrayXC30 supercomputer, called Darter, with a peak performance of 248.9 Ter- aflops. Darter was deployed in late March of 2013 with a very aggressive production timeline - the system was deployed, accepted, and placed into production in only 2 weeks. The Spring Experiment for the Center for Analysis and Prediction of Storms (CAPS) largely drove the accelerated timeline, as the experiment was scheduled to start in mid-April. The Consortium for Advanced Simulation of Light Water Reactors (CASL) project also needed access and was able to meet their tight deadlines on the newly acquired XC30. Darter s accelerated deployment and op-more » erations schedule resulted in substantial scientific impacts within the re- search community as well as immediate real-world impacts such as early severe tornado warnings« less

Plane-wave pseudopotential implementation and performance of SCAN meta-GGA exchange-correlation functional for extended systems

NASA Astrophysics Data System (ADS)

Yao, Yi; Kanai, Yosuke

2017-06-01

We present the implementation and performance of the strongly constrained and appropriately normed, SCAN, meta-GGA exchange-correlation (XC) approximation in the planewave-pseudopotential (PW-PP) formalism using the Troullier-Martins pseudopotential scheme. We studied its performance by applying the PW-PP implementation to several practical applications of interest in condensed matter sciences: (a) crystalline silicon and germanium, (b) martensitic phase transition energetics of phosphorene, and (c) a single water molecule physisorption on a graphene sheet. Given the much-improved accuracy over the GGA functionals and its relatively low computational cost compared to hybrid XC functionals, the SCAN functional is highly promising for various practical applications of density functional theory calculations for condensed matter systems. At same time, the SCAN meta-GGA functional appears to require more careful attention to numerical details. The meta-GGA functional shows more significant dependence on the fast Fourier transform grid, which is used for evaluating the XC potential in real space in the PW-PP formalism, than other more conventional GGA functionals do. Additionally, using pseudopotentials that are generated at a different/lower level of XC approximation could introduce noticeable errors in calculating some properties such as phase transition energetics.

Xc- inhibitor sulfasalazine sensitizes colorectal cancer to cisplatin by a GSH-dependent mechanism.

PubMed

Ma, Ming-zhe; Chen, Gang; Wang, Peng; Lu, Wen-hua; Zhu, Chao-feng; Song, Ming; Yang, Jing; Wen, Shijun; Xu, Rui-hua; Hu, Yumin; Huang, Peng

2015-11-01

Sulfasalazine (SSZ) is an anti-inflammatory drug that has been demonstrated to induce apoptosis and tumor regression through inhibition of plasma membrane cystine transporter xc(-). Cysteine is a rate-limiting precursor for intracellular glutathione (GSH) synthesis, which is vital for compound detoxification and maintaining redox balance. Platinum-based chemotherapy is an important regimen used in clinics for various cancers including colorectal cancer (CRC). We hypothesized that targeting xc(-) transporter by SSZ may annihilate cellular detoxification through interruption of GSH synthesis and may enhance the anti-cancer activity of cisplatin (CDDP) by increasing drug transport. In the present study, we revealed that xCT, the active subunit of xc(-), is highly expressed in CRC cell lines and human colorectal carcinoma tissues compared with their normal counterparts. SSZ effectively depleted cellular GSH, leading to significant accumulation of reactive oxygen species and growth inhibition in CRC cells. In contrast, the normal epithelial cells of colon origin were less sensitive to SSZ, showing a moderate ROS elevation. Importantly, SSZ effectively enhanced the intracellular platinum level and cytotoxicity of CDDP in CRC cells. The synergistic effect of SSZ and CDDP was reversed by antioxidant N-acetyl-L-cysteine (NAC). Together, these results suggest that SSZ, a relatively non-toxic drug that targets cystine transporter, may, in combination with CDDP, have effective therapy for colorectal cancer. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Identification of anti-SF3B1 autoantibody as a diagnostic marker in patients with hepatocellular carcinoma.

PubMed

Hwang, Hai-Min; Heo, Chang-Kyu; Lee, Hye Jung; Kwak, Sang-Seob; Lim, Won-Hee; Yoo, Jong-Shin; Yu, Dae-Yuel; Lim, Kook Jin; Kim, Jeong-Yoon; Cho, Eun-Wie

2018-06-28

Tumor-associated (TA) autoantibodies, which are generated by the immune system upon the recognition of abnormal TA antigens, are promising biomarkers for the early detection of tumors. In order to detect autoantibody biomarkers effectively, antibody-specific epitopes in the diagnostic test should maintain the specific conformations that are as close as possible to those presenting in the body. However, when using patients' serum as a source of TA autoantibodies the characterization of the autoantibody-specific epitope is not easy due to the limited amount of patient-derived serum. To overcome these limits, we constructed a B cell hybridoma pool derived from a hepatocellular carcinoma (HCC) model HBx-transgenic mouse and characterized autoantibodies derived from them as tumor biomarkers. Their target antigens were identified by mass spectrometry and the correlations with HCC were examined. With the assumption that TA autoantibodies generated in the tumor mouse model are induced in human cancer patients, the enzyme-linked immunosorbent assays (ELISA) based on the characteristics of mouse TA autoantibodies were developed for the detection of autoantibody biomarkers in human serum. To mimic natural antigenic structures, the specific epitopes against autoantibodies were screened from the phage display cyclic random heptapeptide library, and the streptavidin antigens fused with the specific epitopes were used as coating antigens. In this study, one of HCC-associated autoantibodies derived from HBx-transgenic mouse, XC24, was characterized. Its target antigen was identified as splicing factor 3b subunit 1 (SF3B1) and the high expression of SF3B1 was confirmed in HCC tissues. The specific peptide epitopes against XC24 were selected and, among them, XC24p11 cyclic peptide (-CDATPPRLC-) was used as an epitope of anti-SF3B1 autoantibody ELISA. With this epitope, we could effectively distinguish between serum samples from HCC patients (n = 102) and healthy subjects (n = 85) with 73.53% sensitivity and 91.76% specificity (AUC = 0.8731). Moreover, the simultaneous detection of anti-XC24p11 epitope autoantibody and AFP enhanced the efficiency of HCC diagnosis with 87.25% sensitivity and 90.59% specificity (AUC = 0.9081). ELISA using XC24p11 peptide epitope that reacts against anti-SF3B1 autoantibody can be used as a novel test to enhance the diagnostic efficiency of HCC.

Stream Channel Stability. Appendix J. Numerical Model for Routing Graded Sediments in Alluvial Channels,

DTIC Science & Technology

1981-04-01

expressed as volume of dry sediment per unit length of channel. RHB Hydraulic radius. ft SCAP(IF) Potential transport capacity of ft 3/ft material...GO) TO iSO I6=0 DO 104 IC=i,INL IA=IC+ICST-IS IF(KI(I)EQOORI(ICI).E.Q(IC2))GO TO 105 L PROPAGATION OF SHOCK WAVE AA=(QI(IC,i)/KIN)**BET AAF=AA+QL*DTS...KSI(IC).GT.0) GO Tn £09 IF(IA.EQ.i) GO TO 140 IF(XC(IA).L.E.XC(IA-i)) GO TO 11.0 C NO SHOCK IS FORMED 140 KSC(IA)=0 CO TO 104 C SHOCK IS FORMED 110

Apparent violation of the sum rule for exchange-correlation charges by generalized gradient approximations.

PubMed

Kohut, Sviataslau V; Staroverov, Viktor N

2013-10-28

The exchange-correlation potential of Kohn-Sham density-functional theory, vXC(r), can be thought of as an electrostatic potential produced by the static charge distribution qXC(r) = -(1∕4π)∇(2)vXC(r). The total exchange-correlation charge, QXC = ∫qXC(r) dr, determines the rate of the asymptotic decay of vXC(r). If QXC ≠ 0, the potential falls off as QXC∕r; if QXC = 0, the decay is faster than coulombic. According to this rule, exchange-correlation potentials derived from standard generalized gradient approximations (GGAs) should have QXC = 0, but accurate numerical calculations give QXC ≠ 0. We resolve this paradox by showing that the charge density qXC(r) associated with every GGA consists of two types of contributions: a continuous distribution and point charges arising from the singularities of vXC(r) at each nucleus. Numerical integration of qXC(r) accounts for the continuous charge but misses the point charges. When the point-charge contributions are included, one obtains the correct QXC value. These findings provide an important caveat for attempts to devise asymptotically correct Kohn-Sham potentials by modeling the distribution qXC(r).

Exchange and Correlation Effects in a Double Barrier Quantum Well

NASA Astrophysics Data System (ADS)

Hasbun, J. E.

2003-03-01

Studies of electronic properties in double barrier resonant tunneling systems usually involve the solution of the BenDaniel-Duke equation (BDK) in the presence of an applied voltage. Electron interactions are included by means of the Hartree term and the wavefunction is self-consistently obtained by coupling the BDK with the Poisson equation. In this work, we go beyond the Hartree approximation by including exchange and correlation effects (v_xc) through the local density functional theory. The analytically parametrized v_xc of Hedin and Lunqvist footnote[1]L. Hedin and B. I. Lundqvist, J. Phys C: Solid. St. Phys. 4, 2064(1971) is employed. While the calculation of v_xc involves extra self-consistency conditions, it is shown that the inclusion of exchange and correlation effects may be important in the electronic characteristics of these devices. For our earlier model footnote[2]J. E. Hasbun, APS Bull. 47, 914(2002) the v_xc potential is comparable to the Hartree electron term at low electric field values, but less so for much higher field. The v_xc employed here ^2 is not appreciably different from the more sophisticated one of Perdew and Zunger footnote[3]J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048(1981). JH wishes to thank Mei-Yin Chou for helpful discussions

Development and Calibration of the ART-XC Mirror Modules for the Spectrum Rontgen Gamma Mission

NASA Technical Reports Server (NTRS)

Ramsey, B.; Gubarev, M.; Elsner, R.; Kolodziejczak, J.; Odell, S.; Swartz, D.; Pavlinsky, M.; Tkachenko, A.; Lapshov, I.

2013-01-01

The Spectrum-Röntgen-Gamma (SRG) mission is a Russian-lead X-ray astrophysical observatory that carries two co-aligned X-ray telescope systems. The primary instrument is the German-led extended ROentgen Survey with an Imaging Telescope Array (eROSITA), a 7-module X-ray telescope system that covers the energy range from 0.2-12 keV. The complementary instrument is the Astronomical Roentgen Telescope -- X-ray Concentrator (ART-XC or ART), a 7-module Xray telescope system that provides higher energy coverage, up to 30 keV.

Breakdown of separability due to confinement

NASA Astrophysics Data System (ADS)

Man'ko, V. I.; Markovich, L. A.; Messina, A.

2017-12-01

A simple system of two particles in a bidimensional configurational space S is studied. The possibility of breaking in S the time-independent Schrodinger equation of the system into two separated one-dimensional one-body Schrodinger equations is assumed. In this paper, we focus on how the latter property is countered by imposing such boundary conditions as confinement to a limited region of S and/or restrictions on the joint coordinate probability density stemming from the sign-invariance condition of the relative coordinate (an impenetrability condition). Our investigation demonstrates the reducibility of the problem under scrutiny into that of a single particle living in a limited domain of its bidimensional configurational space. These general ideas are illustrated introducing the coordinates Xc and x of the center of mass of two particles and of the associated relative motion, respectively. The effects of the confinement and the impenetrability are then analyzed by studying with the help of an appropriate Green's function and the time evolution of the covariance of Xc and x. Moreover, to calculate the state of a single particle constrained within a square, a rhombus, a triangle and a rectangle, the Green's function expression in terms of Jacobi θ3-function is applied. All the results are illustrated by examples.

The Evolution of Champion Cross-Country-Skier Training: From Lumberjacks to Professional Athletes.

PubMed

Sandbakk, Øyvind

2017-02-01

Competitive cross-country (XC) skiing has traditions extending back to the mid-19th century and was included as a men's event in the first Winter Games in 1924. Since then, tremendous improvements in equipment, track preparation, and knowledge about training have prompted greater increases in XC-skiing speeds than in any other Olympic sport. In response, this commentary focuses on how the training of successful XC skiers has evolved, with interviews and training data from surviving Norwegian world and Olympic XC champions as primary sources. Before 1970, most male champion XC skiers were lumberjacks who ran or skied long distances to and from felling areas while working long days in the woods. In addition, they trained as much as possible, with increased intensity during the autumn, while less work but more ski-specific training and competitions were done during the winter. Until the 1970s, few XC skiers were women, whom coaches believed tolerated less training than men did. Today's XC skiers are less physically active, but the influence of both science and the systematic approaches of former athletes and coaches have gradually taught XC skiers to adopt smarter, more goal-oriented training practices. Although the very high VO 2 max of world-class XC skiers has remained the same since the 1960s, new events in modern XC skiing have additionally required superior upper-body power, high-speed techniques, and tactical flexibility. These elements also emerge in the training of today's best skiers; women's physiological capacities and training routines especially seem to have improved dramatically.

An effective intervention algorithm for promoting cooperation in the prisoner's dilemma game with multiple stable states

NASA Astrophysics Data System (ADS)

Li, Y. S.; Xu, C.; Hui, P. M.

2018-07-01

Multiple stable states, hysteresis, sensitivity to initial distributions, and a control algorithm for promoting cooperation are studied in an evolutionary prisoner's dilemma with agents connected into a regular random network. A system could evolve into states of different cooperative frequencies xc in different runs, even starting with the same initial cooperative frequency xc(in) and payoff parameters. For a large reward R, some values of xc(in) either take the system to a group of low cooperative frequency (LCF) states or to a few high cooperative frequency (HCF) states. These states differ by their network structures, with cooperative players connected into ring-like structure in LCF states and compact clusters in HCF states. Hysteresis in xc is observed when R is swept down and up, when the final state of the previous R is used as the initial state of the next R. The analysis led us to propose a closed pack cluster algorithm that gives HCF states effectively. The algorithm intervenes the system at some point in time by selectively switching some non-cooperative D-agents into cooperative C-agents at the peripheral of an existing cluster of C-agents. It ensures protection of a small C-cluster from which more cooperation can be induced. Practically, a governing body may first allow a society to evolve freely and then derive suitable policy to promote selected pockets of good practices for attaining a higher level of common good.

Role of serotype-specific polysaccharide in the resistance of Streptococcus mutans to phagocytosis by human polymorphonuclear leukocytes.

PubMed

Tsuda, H; Yamashita, Y; Toyoshima, K; Yamaguchi, N; Oho, T; Nakano, Y; Nagata, K; Koga, T

2000-02-01

To clarify the role of cell surface components of Streptococcus mutans in resistance to phagocytosis by human polymorphonuclear leukocytes (PMNs), several isogenic mutants of S. mutans defective in cell surface components were studied with a luminol-enhanced chemiluminescence (CL) assay, a killing assay, and a transmission electron microscope. The CL responses of human PMNs to mutant Xc11 defective in a major cell surface antigen, PAc, and mutant Xc16 defective in two surface glucosyltransferases (GTF-I and GTF-SI) were the same as the response to the wild-type strain, Xc. In contrast, mutant Xc24R, which was defective in serotype c-specific polysaccharide, induced a markedly higher CL response than the other strains. The killing assay showed that human PMNs killed more Xc24R than the parent strain and the other mutants. The transmission electron microscopic observation indicated that Xc24R cells were more internalized by human PMNs than the parental strain Xc. These results may be reflected by the fact that strain Xc24R was more phagocytosed than strain Xc. The CL response of human PMNs to a mutant defective in polysaccharide serotype e or f was similar to the response to Xc24R. Furthermore, mutants defective in serotype-specific polysaccharide were markedly more hydrophobic than the wild-type strains and the other mutants, suggesting that the hydrophilic nature of polysaccharides may protect the bacterium from phagocytosis. We conclude that the serotype-specific polysaccharide, but not the cell surface proteins on the cell surface of S. mutans, may play an important role in the resistance to phagocytosis.

Role of Serotype-Specific Polysaccharide in the Resistance of Streptococcus mutans to Phagocytosis by Human Polymorphonuclear Leukocytes

PubMed Central

Tsuda, Hiromasa; Yamashita, Yoshihisa; Toyoshima, Kuniaki; Yamaguchi, Noboru; Oho, Takahiko; Nakano, Yoshio; Nagata, Kengo; Koga, Toshihiko

2000-01-01

To clarify the role of cell surface components of Streptococcus mutans in resistance to phagocytosis by human polymorphonuclear leukocytes (PMNs), several isogenic mutants of S. mutans defective in cell surface components were studied with a luminol-enhanced chemiluminescence (CL) assay, a killing assay, and a transmission electron microscope. The CL responses of human PMNs to mutant Xc11 defective in a major cell surface antigen, PAc, and mutant Xc16 defective in two surface glucosyltransferases (GTF-I and GTF-SI) were the same as the response to the wild-type strain, Xc. In contrast, mutant Xc24R, which was defective in serotype c-specific polysaccharide, induced a markedly higher CL response than the other strains. The killing assay showed that human PMNs killed more Xc24R than the parent strain and the other mutants. The transmission electron microscopic observation indicated that Xc24R cells were more internalized by human PMNs than the parental strain Xc. These results may be reflected by the fact that strain Xc24R was more phagocytosed than strain Xc. The CL response of human PMNs to a mutant defective in polysaccharide serotype e or f was similar to the response to Xc24R. Furthermore, mutants defective in serotype-specific polysaccharide were markedly more hydrophobic than the wild-type strains and the other mutants, suggesting that the hydrophilic nature of polysaccharides may protect the bacterium from phagocytosis. We conclude that the serotype-specific polysaccharide, but not the cell surface proteins on the cell surface of S. mutans, may play an important role in the resistance to phagocytosis. PMID:10639428

Exact thermal density functional theory for a model system: Correlation components and accuracy of the zero-temperature exchange-correlation approximation

DOE PAGES

Smith, J. C.; Pribram-Jones, A.; Burke, K.

2016-06-14

Thermal density functional theory calculations often use the Mermin-Kohn-Sham scheme, but employ ground-state approximations to the exchange-correlation (XC) free energy. In the simplest solvable nontrivial model, an asymmetric Hubbard dimer, we calculate the exact many-body energies and the exact Mermin-Kohn-Sham functionals for this system and extract the exact XC free energy. For moderate temperatures and weak correlation, we find this approximation to be excellent. Here we extract various exact free-energy correlation components and the exact adiabatic connection formula.

Exact thermal density functional theory for a model system: Correlation components and accuracy of the zero-temperature exchange-correlation approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, J. C.; Pribram-Jones, A.; Burke, K.

Thermal density functional theory calculations often use the Mermin-Kohn-Sham scheme, but employ ground-state approximations to the exchange-correlation (XC) free energy. In the simplest solvable nontrivial model, an asymmetric Hubbard dimer, we calculate the exact many-body energies and the exact Mermin-Kohn-Sham functionals for this system and extract the exact XC free energy. For moderate temperatures and weak correlation, we find this approximation to be excellent. Here we extract various exact free-energy correlation components and the exact adiabatic connection formula.

SU-E-CAMPUS-J-05: Quantitative Investigation of Random and Systematic Uncertainties From Hardware and Software Components in the Frameless 6DBrainLAB ExacTrac System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Keeling, V; Jin, H; Hossain, S

2014-06-15

Purpose: To evaluate setup accuracy and quantify individual systematic and random errors for the various hardware and software components of the frameless 6D-BrainLAB ExacTrac system. Methods: 35 patients with cranial lesions, some with multiple isocenters (50 total lesions treated in 1, 3, 5 fractions), were investigated. All patients were simulated with a rigid head-and-neck mask and the BrainLAB localizer. CT images were transferred to the IPLAN treatment planning system where optimized plans were generated using stereotactic reference frame based on the localizer. The patients were setup initially with infrared (IR) positioning ExacTrac system. Stereoscopic X-ray images (XC: X-ray Correction) weremore » registered to their corresponding digitally-reconstructed-radiographs, based on bony anatomy matching, to calculate 6D-translational and rotational (Lateral, Longitudinal, Vertical, Pitch, Roll, Yaw) shifts. XC combines systematic errors of the mask, localizer, image registration, frame, and IR. If shifts were below tolerance (0.7 mm translational and 1 degree rotational), treatment was initiated; otherwise corrections were applied and additional X-rays were acquired to verify patient position (XV: X-ray Verification). Statistical analysis was used to extract systematic and random errors of the different components of the 6D-ExacTrac system and evaluate the cumulative setup accuracy. Results: Mask systematic errors (translational; rotational) were the largest and varied from one patient to another in the range (−15 to 4mm; −2.5 to 2.5degree) obtained from mean of XC for each patient. Setup uncertainty in IR positioning (0.97,2.47,1.62mm;0.65,0.84,0.96degree) was extracted from standard-deviation of XC. Combined systematic errors of the frame and localizer (0.32,−0.42,−1.21mm; −0.27,0.34,0.26degree) was extracted from mean of means of XC distributions. Final patient setup uncertainty was obtained from the standard deviations of XV (0.57,0.77,0.67mm,0.39,0.35,0.30degree). Conclusion: Statistical analysis was used to calculate cumulative and individual systematic errors from the different hardware and software components of the 6D-ExacTrac-system. Patients were treated with cumulative errors (<1mm,<1degree) with XV image guidance.« less

Jacob's Ladder as Sketched by Escher: Assessing the Performance of Broadly Used Density Functionals on Transition Metal Surface Properties.

PubMed

Vega, Lorena; Ruvireta, Judit; Viñes, Francesc; Illas, Francesc

2018-01-09

The present work surveys the performance of various widely used density functional theory exchange-correlation (xc) functionals in describing observable surface properties of a total of 27 transition metals with face-centered cubic (fcc), body-centered cubic (bcc), or hexagonal close-packed (hcp) crystallographic structures. A total of 81 low Miller index surfaces were considered employing slab models. Exemplary xc functionals within the three first rungs of Jacob's ladder were considered, including the Vosko-Wilk-Nusair xc functional within the local density approximation, the Perdew-Burke-Ernzerhof (PBE) functional within the generalized gradient approximation (GGA), and the Tao-Perdew-Staroverov-Scuseria functional as a meta-GGA functional. Hybrids were excluded in the survey because they are known to fail in properly describing metallic systems. In addition, two variants of PBE were considered, PBE adapted for solids (PBEsol) and revised PBE (RPBE), aimed at improving adsorption energies. Interlayer atomic distances, surface energies, and surface work functions were chosen as the scrutinized properties. A comparison with available experimental data, including single-crystal and polycrystalline values, shows that no xc functional is best at describing all of the surface properties. However, in statistical mean terms the PBEsol xc functional is advised, while PBE is recommended when considering both bulk and surface properties. On the basis of the present results, a discussion of adapting GGA functionals to the treatment of metallic surfaces in an alternative way to meta-GGA or hybrids is provided.

The Marshall Space Flight Center Development of Mirror Modules for the ART-XC Ins1rument Aboard the Spectrum-Roentgen-Gamma Mission

NASA Technical Reports Server (NTRS)

Gubarev, M.; Ramsey, B.; ODell, S. L.; Elsner, R.; Kilaru, K.; McCracken, J.; Pavlinsky, M.; Tkachenko, A.; Lapshov, I.

2012-01-01

The Spectrum-Rontgen-Gamma (SRG) mission is a Russian-German X-ray astrophysical observatory that carries two co-aligned and complementary X-ray telescope systems. The primary instrument is the German-led extended ROentgen Survey with an Imaging Telescope Array (eROSITA), a 7-module X-ray telescope system that covers the energy range from 0.2-12 keV. The complementary instrument is the Russian-led Astronomical Roentgen Telescope -- X-ray Concentrator (ART-XC or ART), a 7-module X-ray telescope system that provides higher energy coverage, up to 30 keV (with limited sensitivity above 12 keV).

Opposite in vivo effects of agents that stimulate or inhibit the glutamate/cysteine exchanger system xc- on the inhibition of hippocampal LTP by Aß.

PubMed

Zhang, Dainan; Jin, Baozhe; Ondrejcak, Tomas; Rowan, Michael J

2016-12-01

Aggregated amyloid ß-protein (Aß) is pathognomonic of Alzheimer's disease and certain assemblies of Aß are synaptotoxic. Excess glutamate or diminished glutathione reserve are both implicated in mediating or modulating Aß-induced disruption of synaptic plasticity. The system xc- antiporter promotes Na + -independent exchange of cystine with glutamate thereby providing a major source of extracellular glutamate and intracellular glutathione concentrations. Here we probed the ability of two drugs with opposite effects on system xc-, the inhibitor sulfasalazine and facilitator N-acetylcysteine, to modulate the ability of Aß1-42 to inhibit long-term potentiation (LTP) in the CA1 area of the anaesthetized rat. Whereas acute systemic treatment with sulfasalazine lowered the threshold for Aß to interfere with synaptic plasticity, N-acetylcysteine prevented the inhibition of LTP by Aß alone or in combination with sulfasalazine. Moreover acute N-acetylcysteine also prevented the inhibition of LTP by TNFα, a putative mediator of Aß actions, and repeated systemic N-acetylcysteine treatment for 7 days reversed the delayed deleterious effect of Aß on LTP. Since both of these drugs are widely used clinically, further evaluation of their potential beneficial and deleterious actions in early Alzheimer's disease seems warranted. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Motor abilities and anthropometrics in youth cross-country skiing.

PubMed

Stöggl, R; Müller, E; Stöggl, T

2015-02-01

The purposes were to validate whether general motor abilities and anthropometrics are determinants of youth cross-country (XC) skiing performance; evaluate gender-specific differences; and to establish noninvasive diagnostics. Fifty-one youth XC skiers (34 boys; 13.8 ± 0.6 years and 17 girls; 13.4 ± 0.9 years) performed motor skill and laboratory tests, and anthropometric data were collected and correlated with XC skiing performance. Anthropometrics and maturity status were related to boys but not to girls XC skiing performance. Push-ups and 20-m sprint were correlated to XC skiing performance in both boys and girls. XC skiing performance of boys was predominantly influenced by upper body and trunk strength capacities (medicine ball throw, push-ups, and pull-ups) and jumping power (standing long and triple jump), whereas XC skiing of girls was mainly influenced by aerobic capacities (3000-m run). Laboratory measures did not reveal greater correlations to XC skiing performance compared with simple test concepts of speed, strength, and endurance. Maturity was a major confounding variable in boys but not girls. Use of noninvasive simple test concepts for determination of upper body strength, speed, and endurance represent practicable support for ski clubs, schools, or skiing federations in the guidance and evaluation of young talent, being aware of the effect of maturity especially in boys. © 2014 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Synthetic, Infrared, 1H and 13C NMR Spectral Studies on N-(2-/3-Substituted Phenyl)-4-Substituted Benzenesulphonamides, 4-X'C6H4SO2NH(2-/3-XC6H4), where X' = H, CH3, C2H5, F, Cl or Br, and X = CH3 or Cl

NASA Astrophysics Data System (ADS)

Gowda, B. Thimme; Shetty, Mahesha; Jayalakshmi, K. L.

2005-02-01

Twenty three N-(2-/3-substituted phenyl)-4-substituted benzenesulphonamides of the general formula, 4-X'C6H4SO2NH(2-/3-XC6H4), where X' = H, CH3, C2H5, F, Cl or Br and X = CH3 or Cl have been prepared and characterized, and their infrared spectra in the solid state, 1H and 13C NMR spectra in solution were studied. The N-H stretching vibrations, νN-H, absorb in the range 3285 - 3199 cm-1, while the asymmetric and symmetric SO2 vibrations vary in the ranges 1376 - 1309 cm-1 and 1177 - 1148 cm-1, respectively. The S-N and C-N stretching vibrations absorb in the ranges 945 - 893 cm-1 and 1304 - 1168 cm-1, respectively. The compounds do not exhibit particular trends in the variation of these frequencies on substitution either at ortho or meta positions with either a methyl group or Cl. The observed 1H and 13C chemical shifts of are assigned to protons and carbons of the two benzene rings. Incremental shifts of the ring protons and carbons due to -SO2NH(2-/3-XC6H4) groups in C6H5SO2NH(2-/3-XC6H4), and 4- X'C6H4SO2- and 4-X'C6H4SO2NH- groups in 4-X'C6H4SO2NH(C6H5) are computed and employed to calculate the chemical shifts of the ring protons and carbons in the substituted compounds, 4-X'C6H4SO2NH(2-/3-XC6H4). The computed values agree well with the observed chemical shifts.

Platinum assisted by carbon quantum dots for methanol electro-oxidation

NASA Astrophysics Data System (ADS)

Pan, Dan; Li, Xingwei; Zhang, Aofeng

2018-01-01

Various types of fuel cells as clean and portable power sources show a great attraction, especially direct methanol fuel cell (DMFC) having high energy density, low operating temperature and convenient fuel storage. However, the preparation of low-cost Pt-based catalysts with satisfactory catalytic performance still faces many challenges for its commercialization on large scale. Here, Pt catalysts assisted by carbon quantum dots (CQDs) are reported. The synergistic effect of carbon quantum dots and Pt metals is similar to a bi-component catalyst, such as PtRu. First, carbon quantum dots derived from Vulcan XC-72 carbon black are synthesized by mixed acid etching. Then, carbon black (Vulcan XC-72) is soaked in carbon quantum dots solution for several days to obtain carbon black modified by carbon quantum dots (XC-72-CQDs). Finally, Pt catalysts are supported on XC-72-CQDs (Pt/XC-72-CQDs) through a simple chemical reduction method. For methanol electro-oxidation reaction, the catalytic performance of Pt/XC-72-CQDs is compared with commercial PtRu/C (30% Pt + 15% Ru). Results show that a typical product (Pt/XC-72-CQDs5) exhibits a better catalytic activity than PtRu/C. In cyclic voltammetry test, the specific activity of Pt/XC-72-CQDs5 is 1.06 mA cm-2 Pt and 477.6 mA mg-1 Pt, while that of PtRu/C is 0.77 mA cm-2 Pt and 280.6 mA mg-1 Pt.

Excitation energies of dissociating H2: A problematic case for the adiabatic approximation of time-dependent density functional theory

NASA Astrophysics Data System (ADS)

Gritsenko, O. V.; van Gisbergen, S. J. A.; Görling, A.; Baerends, E. J.

2000-11-01

Time-dependent density functional theory (TDDFT) is applied for calculation of the excitation energies of the dissociating H2 molecule. The standard TDDFT method of adiabatic local density approximation (ALDA) totally fails to reproduce the potential curve for the lowest excited singlet 1Σu+ state of H2. Analysis of the eigenvalue problem for the excitation energies as well as direct derivation of the exchange-correlation (xc) kernel fxc(r,r',ω) shows that ALDA fails due to breakdown of its simple spatially local approximation for the kernel. The analysis indicates a complex structure of the function fxc(r,r',ω), which is revealed in a different behavior of the various matrix elements K1c,1cxc (between the highest occupied Kohn-Sham molecular orbital ψ1 and virtual MOs ψc) as a function of the bond distance R(H-H). The effect of nonlocality of fxc(r,r') is modeled by using different expressions for the corresponding matrix elements of different orbitals. Asymptotically corrected ALDA (ALDA-AC) expressions for the matrix elements K12,12xc(στ) are proposed, while for other matrix elements the standard ALDA expressions are retained. This approach provides substantial improvement over the standard ALDA. In particular, the ALDA-AC curve for the lowest singlet excitation qualitatively reproduces the shape of the exact curve. It displays a minimum and approaches a relatively large positive energy at large R(H-H). ALDA-AC also produces a substantial improvement for the calculated lowest triplet excitation, which is known to suffer from the triplet instability problem of the restricted KS ground state. Failure of the ALDA for the excitation energies is related to the failure of the local density as well as generalized gradient approximations to reproduce correctly the polarizability of dissociating H2. The expression for the response function χ is derived to show the origin of the field-counteracting term in the xc potential, which is lacking in the local density and generalized gradient approximations and which is required to obtain a correct polarizability.

Xanthine-Catechin Mixture Enhances Lithium-Induced Anti-Inflammatory Response in Activated Macrophages In Vitro

PubMed Central

Barbisan, Fernanda; Azzolin, Verônica Farina; Teixeira, Cibele Ferreira; Mastella, Moisés Henrique; Ribeiro, Euler Esteves; do Prado-Lima, Pedro Antonio Schmidt; Praia, Raquel de Souza; Medeiros Frescura Duarte, Marta Maria

2017-01-01

Lithium (Li) is a chemical element used for treating and preventing bipolar disorder (BD) and exerts positive effects such as anti-inflammatory effects as well as undesirable side effects. These effects of Li can be influenced by interaction with some nutritional elements. Therefore, we investigated the potential effects of xanthine (caffeine and theobromine) and catechin molecules present in some food beverages broadly consumed worldwide, such as coffee and tea, on Li-induced anti-inflammatory effects. In the present study, we concomitantly exposed RAW 264.7 macrophages to Li, isolated xanthine and catechin molecules, and a xanthine-catechin mixture (XC mixture). We evaluated the effects of these treatments on cell proliferation, cell cycle progression, oxidative and antioxidant marker expression, cytokine levels, gene expression, and GSK-3β enzyme expression. Treatment with the XC mixture potentialized Li-induced anti-inflammatory effects by intensification of the following: GSK-3β inhibitory action, lowering effect on proinflammatory cytokines (IL-1β, IL-6, and TNFα), and increase in the levels of IL-10 that is an anti-inflammatory cytokine. Despite the controversial nature of caffeine consumption by BD patients, these results suggested that consumption of caffeine, in low concentrations, mixed with other bioactive molecules along with Li may be safe. PMID:29250539

Preparation of the vulcan XC-72R-supported Pt nanoparticles for the hydrogen evolution reaction in PEM water electrolysers

NASA Astrophysics Data System (ADS)

Du Nguyen, Huy; Thuy Luyen Nguyen, T.; Nguyen, Khac Manh; Ha, Thuc Huy; Hien Nguyen, Quoc

2015-01-01

Pt nanoparticles on vulcan XC-72R support (Pt/vulcan XC-72R) were prepared by the impregnation-reduction method. The Pt content, the morphological properties and the electrochemical catalysis of the Pt/vulcan XC 72R materials have been investigated by ICP-OES analysis, FESEM, TEM, and cyclic voltammetry. These materials were then used as catalyst for hydrogen evolution reaction at the cathode of proton exchange membrane (PEM) water electrolysers. The best catalyst was Pt/vulcan XC-72R prepared by the impregnation-reduction method which is conducted in two reducing steps with the reductants of sodium borohydride and ethylene glycol, respectively. The current density of PEM water electrolysers reached 1.0 A cm-2 when applying a voltage of 2.0 V at 25 °C.

Efficient construction of exchange and correlation potentials by inverting the Kohn-Sham equations.

PubMed

Kananenka, Alexei A; Kohut, Sviataslau V; Gaiduk, Alex P; Ryabinkin, Ilya G; Staroverov, Viktor N

2013-08-21

Given a set of canonical Kohn-Sham orbitals, orbital energies, and an external potential for a many-electron system, one can invert the Kohn-Sham equations in a single step to obtain the corresponding exchange-correlation potential, vXC(r). For orbitals and orbital energies that are solutions of the Kohn-Sham equations with a multiplicative vXC(r) this procedure recovers vXC(r) (in the basis set limit), but for eigenfunctions of a non-multiplicative one-electron operator it produces an orbital-averaged potential. In particular, substitution of Hartree-Fock orbitals and eigenvalues into the Kohn-Sham inversion formula is a fast way to compute the Slater potential. In the same way, we efficiently construct orbital-averaged exchange and correlation potentials for hybrid and kinetic-energy-density-dependent functionals. We also show how the Kohn-Sham inversion approach can be used to compute functional derivatives of explicit density functionals and to approximate functional derivatives of orbital-dependent functionals.

Calibration of the ART-XC mirror modules at MSFC

NASA Astrophysics Data System (ADS)

Krivonos, R.; Tkachenko, A.; Burenin, R.; Filippova, E.; Lapshov, I.; Mereminskiy, I.; Molkov, S.; Pavlinsky, M.; Sazonov, S.; Gubarev, M.; Kolodziejczak, J.; O'Dell, S. L.; Swartz, D.; Zavlin, Vyacheslav E.; Ramsey, B. D.

2017-10-01

The Astronomical Röntgen Telescope X-ray Concentrator (ART-XC) is a hard X-ray telescope with energy response up to 30 keV, to be launched on board the Spectrum Röntgen Gamma (SRG) spacecraft in 2018. ART-XC consists of seven identical co-aligned mirror modules. Each mirror assembly is coupled with a CdTe double-sided strip (DSS) focal-plane detector. Eight X-ray mirror modules (seven flight and one spare units) for ART-XC were developed and fabricated at the Marshall Space Flight Center (MSFC), NASA, USA. We present results of testing procedures performed with an X-ray beam facility at MSFC to calibrate the point spread function (PSF) of the mirror modules. The shape of the PSF was measured with a high-resolution CCD camera installed in the focal plane with defocusing of 7 mm, as required by the ART-XC design. For each module, we performed a parametrization of the PSF at various angular distances Θ. We used a King function to approximate the radial profile of the near on-axis PSF (Θ < 9 arcmin) and an ellipse fitting procedure to describe the morphology of the far off-axis angular response (9 < Θ < 24 arcmin). We found a good agreement between the seven ART-XC flight mirror modules at the level of 10%. The on-axis angular resolution of the ART-XC optics varies between 27 and 33 arcsec (half-power diameter), except for the spare module.

Multigenetic characterization of 'Candidatus Xenohaliotis californiensis'.

PubMed

Cicala, Francesco; Moore, James D; Cáceres-Martínez, Jorge; Del Río-Portilla, Miguel A; Hernández-Rodríguez, Mónica; Vásquez-Yeomans, Rebeca; Rocha-Olivares, Axayácatl

2017-01-01

'Candidatus Xenohaliotis californiensis' (or Ca.Xc) is the aetiological agent of withering syndrome, a chronic wasting disease affecting most if not all North American species of abalone, and has been described as a Rickettsiales-like prokaryote. Genetic data regarding this species are limited to the 16S rRNA gene. The inability to grow it axenically has hindered its genetic and genomic characterization and, in consequence, a thorough analysis of its systematics. Here, we amplified and sequenced five genes (16S rRNA, 23S rRNA, ftsZ, virD4 and virB11) of Ca.Xc from infected abalone to analyse its phylogenetic position. Phylogenies from concatenated DNA and amino acid sequences with representative genera of most Rickettsiales unequivocally place Ca.Xc in the family Anaplasmataceae. Furthermore, the family has two reciprocally monophyletic lineages: one leading to (Neorickettsia, Ca.Xc) and the other to ((Ehrlichia, Anaplasma), Wolbachia)). A molecular-clock Bayesian reconstruction places Ca.Xc as the most basal lineage in Anaplasmataceae. These phylogenetic hypotheses shed light on patterns of host evolution and of ecological transitions. Specifically, Neorickettsia and Ca.Xc inhabit aquatic hosts whereas the remaining Anaplasmataceae are found in terrestrial hosts. Additionally, our evolutionary timeline places the directly transmitted marine Ca.Xc as the basal Anaplasmataceae, ancestral to both freshwater and terrestrial species with adaptations leading to more complex life cycles involving intermediate vectors or reservoir species; this supports the hypothesis of a marine origin for this bacterial family.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mubarak, Misbah; Ross, Robert B.

This technical report describes the experiments performed to validate the MPI performance measurements reported by the CODES dragonfly network simulation with the Theta Cray XC system at the Argonne Leadership Computing Facility (ALCF).

Status of ART-XC/SRG instrument

NASA Astrophysics Data System (ADS)

Pavlinsky, M.; Akimov, V.; Levin, V.; Krivchenko, A.; Rotin, A.; Kuznetsova, M.; Lapshov, I.; Tkachenko, A.; Semena, N.; Buntov, M.; Glushenko, A.; Arefiev, V.; Yaskovich, A.; Grebenev, S.; Sazonov, S.; Revnivtsev, M.; Lutovinov, A.; Molkov, S.; Krivonos, R.; Serbinov, D.; Kudelin, M.; Drozdova, T.; Voronkov, S.; Sunyaev, R.; Churazov, E.; Gilfanov, M.; Babyshkin, V.; Lomakin, I.; Menderov, A.; Gubarev, M.; Ramsey, B.; Kilaru, K.; O'Dell, S. L.; Kolodziejczak, J.; Elsner, R.; Zavlin, V.; Swartz, D.

2016-07-01

Spectrum Roentgen Gamma (SRG) is an X-ray astrophysical observatory, developed by Russia in collaboration with Germany. The mission will be launched in 2017 from Baikonur and placed in a 6-month-period halo orbit around L2. The scientific payload consists of two independent telescope arrays - a soft-x-ray survey instrument, eROSITA, being provided by Germany and a medium-x-ray-energy survey instrument ART-XC being developed by Russia. ART-XC will consist of seven independent, but co-aligned, telescope modules. The ART-XC flight mirror modules have been developed and fabricated at the NASA Marshall Space Flight Center (MSFC). Each mirror module will be aligned with a focal plane CdTe double-sided strip detector which will operate over the energy range of 6-30 keV, with an angular resolution of <1', a field of view of 34' and an expected energy resolution of about 12% at 14 keV. The current status of the ART-XC/SRG instrument is presented here.

Propofol inhibits invasion and proliferation of C6 glioma cells by regulating the Ca2+ permeable AMPA receptor-system xc- pathway.

PubMed

Wang, Xin-Yue; Li, Yan-Li; Wang, Hai-Yun; Zhu, Min; Guo, Di; Wang, Guo-Lin; Gao, Ying-Tang; Yang, Zhuo; Li, Tang; Yang, Chen-Yi; Chen, Yi-Meng

2017-10-01

Anesthetics are documented to affect tumors; therefore, we studied the antiglioma effect of propofol on proliferation and invasiveness of glioma cells and explored the underlying mechanism. C6 glioma cells were cultured and treated with propofol, and cell viability, invasiveness, and migration were measured. Glutamate release was measured using an enzyme-catalyzed kinetic reaction. xCT protein and α-amino-3-hydroxy-5-methylisoxazole-4-propionic acid (AMPA) receptor GluR2 subunit protein expression was assessed with Western blot analysis and immunofluorescent staining. We observed that propofol significantly inhibited C6 glioma cell viability, invasiveness, and migration and decreased glutamate release. An agonist of the cystine/glutamate antiporter system (system x c - ), N-acetylcysteine (NAC), reversed propofol's effects, and propofol could inhibit C6 glioma cell proliferation by adding excess exogenous glutamate (100μM). Finally, propofol increased the surface expression of GluR2, but decreased surface expression of xCT. The effects of propofol on surface expression of GluR2 and xCT could be rescued by (R, S)-AMPA, an agonist of Ca 2+ permeable AMPA receptor (CPAR). Thus, propofol can inhibit cell viability, invasiveness, and migration of C6 glioma cells, and the CPAR-system x c - pathway contributes to these events. Copyright © 2017 Elsevier Ltd. All rights reserved.

Importance of finite-temperature exchange correlation for warm dense matter calculations.

PubMed

Karasiev, Valentin V; Calderín, Lázaro; Trickey, S B

2016-06-01

The effects of an explicit temperature dependence in the exchange correlation (XC) free-energy functional upon calculated properties of matter in the warm dense regime are investigated. The comparison is between the Karasiev-Sjostrom-Dufty-Trickey (KSDT) finite-temperature local-density approximation (TLDA) XC functional [Karasiev et al., Phys. Rev. Lett. 112, 076403 (2014)PRLTAO0031-900710.1103/PhysRevLett.112.076403] parametrized from restricted path-integral Monte Carlo data on the homogeneous electron gas (HEG) and the conventional Monte Carlo parametrization ground-state LDA XC [Perdew-Zunger (PZ)] functional evaluated with T-dependent densities. Both Kohn-Sham (KS) and orbital-free density-functional theories are used, depending upon computational resource demands. Compared to the PZ functional, the KSDT functional generally lowers the dc electrical conductivity of low-density Al, yielding improved agreement with experiment. The greatest lowering is about 15% for T=15 kK. Correspondingly, the KS band structure of low-density fcc Al from the KSDT functional exhibits a clear increase in interband separation above the Fermi level compared to the PZ bands. In some density-temperature regimes, the deuterium equations of state obtained from the two XC functionals exhibit pressure differences as large as 4% and a 6% range of differences. However, the hydrogen principal Hugoniot is insensitive to the explicit XC T dependence because of cancellation between the energy and pressure-volume work difference terms in the Rankine-Hugoniot equation. Finally, the temperature at which the HEG becomes unstable is T≥7200 K for the T-dependent XC, a result that the ground-state XC underestimates by about 1000 K.

How Do World-Class Nordic Combined Athletes Differ From Specialized Cross-Country Skiers and Ski Jumpers in Sport-Specific Capacity and Training Characteristics?

PubMed

Sandbakk, Øyvind; Rasdal, Vegard; Bråten, Steinar; Moen, Frode; Ettema, Gertjan

2016-10-01

To compare sport-specific laboratory capacities and the annual training of world-class Nordic combined (NC) athletes with specialized ski jumpers (SJ) and cross-country (XC) skiers. Five world-class athletes from each sports discipline were compared. Ski jump imitations were performed on a 3-dimensional force plate in NC athletes and SJ, whereas XC skiing characteristics were obtained from submaximal and maximal roller ski skating on a treadmill in NC athletes and XC skiers. In addition, anthropometrics and annual training characteristics were determined. NC athletes demonstrated 9% higher body mass and showed 17% lower vertical speed in the ski jump imitation than SJ (all P < .05). NC athletes had 12% lower body mass and showed 10% lower peak treadmill speed and 12% lower body-mass-normalized peak oxygen uptake than XC skiers (all P < .05). NC athletes performed half the number of ski-jumping-specific sessions and outdoor ski jumps compared with SJ. NC athletes performed 31% less endurance training, mainly caused by lower amounts of low- and moderate-intensity training in the classical technique, whereas high-intensity strength and speed training and endurance training in the skating technique did not differ substantially from XC skiers. To simultaneously optimize endurance, explosive, and technical capacities in 2 different disciplines, world-class NC athletes train approximately two-thirds of the XC skier's endurance training volume and perform one-half of the ski-jump-specific training compared with SJ. Still, the various laboratory capacities differed only 10-17% compared with SJ and XC skiers.

Global hybrids from the semiclassical atom theory satisfying the local density linear response.

PubMed

Fabiano, Eduardo; Constantin, Lucian A; Cortona, Pietro; Della Sala, Fabio

2015-01-13

We propose global hybrid approximations of the exchange-correlation (XC) energy functional which reproduce well the modified fourth-order gradient expansion of the exchange energy in the semiclassical limit of many-electron neutral atoms and recover the full local density approximation (LDA) linear response. These XC functionals represent the hybrid versions of the APBE functional [Phys. Rev. Lett. 2011, 106, 186406] yet employing an additional correlation functional which uses the localization concept of the correlation energy density to improve the compatibility with the Hartree-Fock exchange as well as the coupling-constant-resolved XC potential energy. Broad energetic and structural testing, including thermochemistry and geometry, transition metal complexes, noncovalent interactions, gold clusters and small gold-molecule interfaces, as well as an analysis of the hybrid parameters, show that our construction is quite robust. In particular, our testing shows that the resulting hybrid, including 20% of Hartree-Fock exchange and named hAPBE, performs remarkably well for a broad palette of systems and properties, being generally better than popular hybrids (PBE0 and B3LYP). Semiempirical dispersion corrections are also provided.

Scalable properties of metal clusters: A comparative study of modern exchange-correlation functionals

NASA Astrophysics Data System (ADS)

Koitz, Ralph; Soini, Thomas M.; Genest, Alexander; Trickey, S. B.; Rösch, Notker

2012-07-01

The performance of eight generalized gradient approximation exchange-correlation (xc) functionals is assessed by a series of scalar relativistic all-electron calculations on octahedral palladium model clusters Pdn with n = 13, 19, 38, 55, 79, 147 and the analogous clusters Aun (for n up through 79). For these model systems, we determined the cohesive energies and average bond lengths of the optimized octahedral structures. We extrapolate these values to the bulk limits and compare with the corresponding experimental values. While the well-established functionals BP, PBE, and PW91 are the most accurate at predicting energies, the more recent forms PBEsol, VMTsol, and VT{84}sol significantly improve the accuracy of geometries. The observed trends are largely similar for both Pd and Au. In the same spirit, we also studied the scalability of the ionization potentials and electron affinities of the Pd clusters, and extrapolated those quantities to estimates of the work function. Overall, the xc functionals can be classified into four distinct groups according to the accuracy of the computed parameters. These results allow a judicious selection of xc approximations for treating transition metal clusters.

Polyphasic taxonomic characterisation of a novel strain as Pararhizobium haloflavum sp. nov., isolated from soil samples near a sewage treatment tank.

PubMed

Shen, Xia; Li, Yu; Zhao, Zhe; Han, Yi-Fan; Zhang, Wen-Wu; Yu, Xiao-Yun; Zhang, Chong-Ya; Sun, Cong; Wu, Min

2018-04-01

A Gram-stain negative, aerobic, motile and ovoid- to rod-shaped bacteria strain, designated XC0140 T , was isolated from soil samples near the sewage treatment tank of a chemical factory in Zhejiang Province, China, and subjected to polyphasic taxonomic investigation. Strain XC0140 T grew at 10-37 °C and pH 6.0-9.0 (optimum, 35 °C and pH 7.5) and with 0-17% (w/v) NaCl (optimum, 1%). According to phylogenetic analysis based on 16S rRNA gene sequences, strain XC0140 T was assigned to the genus Pararhizobium with high 16S rRNA gene sequence similarity of 95.97% to "Pararhizobium helanshanense CCNWQTX14 T" , followed by Pararhizobium sphaerophysae CCNWGS0238 T (95.95%). Chemotaxonomic analysis showed that strain XC0140 T contains ubiquinone-10 as the predominant respiratory quinone and possessed summed feature 8 (comprising C 18: 1 ω7c and/or ω6c), 11-methyl C 18:1 ω7c, C 18: 0 and C 16: 0 as predominant forms of fatty acids. The polar lipids of strain XC0140 T consisted of seven phospholipids (PL), two aminolipids (AL), one glycolipid (GL) and three unidentified lipids (L1, L2 and L3). The DNA G+C content was 62.7 mol%. Based on the polyphasic taxonomic characterization, strain XC0140 T is considered to represent a novel species of the genus Pararhizobium, for which the name Pararhizobium haloflavum sp. nov. is proposed. (type strain XC0140 T  = MCCC 1K03228 T  = KCTC 52582 T ).

Plasmon dispersion and Coulomb drag in low-density electron bi-layers

NASA Astrophysics Data System (ADS)

Badalyan, S. M.; Kim, C. S.; Vignale, G.; Senatore, G.

2007-03-01

We investigate the effect of exchange and correlation (xc) on the plasmon spectrum and the Coulomb drag between spatially separated low-density two-dimensional electron layers. We adopt a new approach, which employs dynamic xc kernels in the calculation of the bi-layer plasmon spectra and of the plasmon-mediated drag, and static many-body local field factors in the calculation of the particle-hole contribution to the drag. We observe that both optical and acoustical plasmon modes are strongly affected by xc corrections and shift in opposite directions with decreasing density. This is in stark contrast with the tendency observed within the random phase approximation (RPA). We find that the introduction of xc corrections results in a significant enhancement of the transresistivity and qualitative changes in its temperature dependence. In particular, the large high-temperature plasmon peak that is present in the RPA is found to disappear when the xc corrections are included. Our numerical results are in good agreement with the results of recent experiments by M. Kellogg et al., Solid State Commun. 123, 515 (2002).

Singlet-triplet energy differences in divalent five membered cyclic conjugated Arduengo-type carbenes XC2HN2M (M = C, Si, Ge, Sn, and Pb; X = F, Cl, Br, and I)

NASA Astrophysics Data System (ADS)

Vessally, Esmail; Dehbandi, Behnam; Ahmadi, Elaheh

2016-09-01

Singlet-triplet energy differences in Arduengo-type carbenes XC2HN2C compared and contrasted with their sila, germa, stana and plumba analogues; at B3LYP/6-311++G** level of theory. Free Gibbs energy differences between triplet (t) and singlet (s) states (Δ G(t-s)) change in the following order: plumbylenes > stannylenes > germylenes > silylenes > carbenes. The singlet states in XC2HN2C are generally more stable when the electron withdrawing groups such as-F was used at β-position. However, the singlet states in XC2N2HM (M = Si, Ge, Sn, and Pb) are generally more stable when the withdrawing groups such as-F was placed. The puckering energy is investigated for each the singlet and triplet states. The DFT calculations found the linear correlation to size of the group 14 divalent element (M), the ∠N-M-N angle, and the Δ(LUMO-HOMO) of XC2HN2M.

Functional Properties of Five Dictyostelium discoideum P2X Receptors*

PubMed Central

Baines, Abigail; Parkinson, Katie; Sim, Joan A.; Bragg, Laricia; Thompson, Christopher R. L.; North, R. Alan

2013-01-01

The Dictyostelium discoideum genome encodes five proteins that share weak sequence similarity with vertebrate P2X receptors. Unlike vertebrate P2X receptors, these proteins are not expressed on the surface of cells, but populate the tubules and bladders of the contractile vacuole. In this study, we expressed humanized cDNAs of P2XA, P2XB, P2XC, P2XD, and P2XE in human embryonic kidney cells and altered the ionic and proton environment in an attempt to reflect the situation in amoeba. Recording of whole-cell membrane currents showed that four receptors operated as ATP-gated channels (P2XA, P2XB, P2XD, and P2XE). At P2XA receptors, ATP was the only effective agonist of 17 structurally related putative ligands that were tested. Extracellular sodium, compared with potassium, strongly inhibited ATP responses in P2XB, P2XD, and P2XE receptors. Increasing the proton concentration (pH 6.2) accelerated desensitization at P2XA receptors and decreased currents at P2XD receptors, but increased the currents at P2XB and P2XE receptors. Dictyostelium lacking P2XA receptors showed impaired regulatory volume decrease in hypotonic solution. This phenotype was readily rescued by overexpression of P2XA and P2XD receptors, partially rescued by P2XB and P2XE receptors, and not rescued by P2XC receptors. The failure of the nonfunctional receptor P2XC to restore the regulatory volume decrease highlights the importance of ATP activation of P2X receptors for a normal response to hypo-osmotic shock, and the weak rescue by P2XB and P2XE receptors indicates that there is limited functional redundancy among Dictyostelium P2X receptors. PMID:23740252

Functional properties of five Dictyostelium discoideum P2X receptors.

PubMed

Baines, Abigail; Parkinson, Katie; Sim, Joan A; Bragg, Laricia; Thompson, Christopher R L; North, R Alan

2013-07-19

The Dictyostelium discoideum genome encodes five proteins that share weak sequence similarity with vertebrate P2X receptors. Unlike vertebrate P2X receptors, these proteins are not expressed on the surface of cells, but populate the tubules and bladders of the contractile vacuole. In this study, we expressed humanized cDNAs of P2XA, P2XB, P2XC, P2XD, and P2XE in human embryonic kidney cells and altered the ionic and proton environment in an attempt to reflect the situation in amoeba. Recording of whole-cell membrane currents showed that four receptors operated as ATP-gated channels (P2XA, P2XB, P2XD, and P2XE). At P2XA receptors, ATP was the only effective agonist of 17 structurally related putative ligands that were tested. Extracellular sodium, compared with potassium, strongly inhibited ATP responses in P2XB, P2XD, and P2XE receptors. Increasing the proton concentration (pH 6.2) accelerated desensitization at P2XA receptors and decreased currents at P2XD receptors, but increased the currents at P2XB and P2XE receptors. Dictyostelium lacking P2XA receptors showed impaired regulatory volume decrease in hypotonic solution. This phenotype was readily rescued by overexpression of P2XA and P2XD receptors, partially rescued by P2XB and P2XE receptors, and not rescued by P2XC receptors. The failure of the nonfunctional receptor P2XC to restore the regulatory volume decrease highlights the importance of ATP activation of P2X receptors for a normal response to hypo-osmotic shock, and the weak rescue by P2XB and P2XE receptors indicates that there is limited functional redundancy among Dictyostelium P2X receptors.

Effect of the substituent and hydrogen bond on the geometry and electronic properties of OH and O(-) groups in para-substituted phenol and phenolate derivatives.

PubMed

Szatylowicz, Halina; Krygowski, Tadeusz M

2010-10-14

Interrelations between intra- and intermolecular interactions were analyzed by using computational modeling of the para-X-substituted derivatives of phenol and phenolate (where X = NO, NO(2), CHO, COMe, COOH, CONH(2), Cl, F, H, Me, OMe, and OH) and their equilibrium H-bonded complexes with HB and B(-) (where HB = HF and HCN and B(-) = F(-) and CN(-)). B3LYP/6-311++G** computation was applied. Both the substituent effect and H-bonding changed the electronic properties of the -O(-) and -OH groups and geometric parameters of phenol and phenolate derivatives and their H-bonded complexes. C-O bond lengths and aromaticity indices of the ring were found to depend linearly on σ(p)(-) of the substituents. In the first case the greatest sensitivity on the substituent effect was for 4-X-C(6)H(4)OH···CN(-) and 4-X-C(6)H(4)O(-)···HF complexes, whereas for 4-X-C(6)H(4)O(-)···HCN systems it was comparable with that for phenol derivatives and a little smaller than that for 4-X-C(6)H(4)O(-) derivatives. This means that the strength of H-bonding may considerably change the sensitivity of the C-O bond length to the substituent effect. The greatest sensitivity of the aromaticity indices, both HOMA and NICS(1)zz, to σ(p)(-) was found for phenolate and then for phenolate H-bonded complexes, followed by phenol complexes, and the lowest sensitivity was observed for phenol derivatives. The interatomic proton-acceptor distance, being a measure of the H-bond strength, was found to depend linearly on σ(p)(-) of the substituents with a positive slope for O···HB (HF or HCN) interactions and a negative slope for OH···B(-) interactions. NBO charges on the oxygen and hydrogen atoms also depend on σ(p)(-) of the substituents. In the latter case for strong H-bonded complexes (energy less than ∼-20 kcal/mol) the substituent effect works oppositely for 4-X-C(6)H(4)OH···B(-) in comparison with the 4-X-C(6)H(4)O(-)···HB systems. Moreover, following the Espinoza et al. [J. Chem. Phys. 2002, 117, 5529] and Grabowski et al. [J. Phys. Chem. B 2006, 110, 6444] classifications, the above and q(H) vs proton-acceptor distance relationships suggest a partially covalent character of the hydrogen bond for these complexes and the degree of its covalent nature depending on the substituent.

IGF-1 and TGF-β stimulate cystine/glutamate exchange activity in dental pulp cells

PubMed Central

Pauly, Katherine; Fritz, Kimberly; Furey, Alyssa; Lobner, Doug

2011-01-01

Introduction The growth factors IGF-1 and TGF-β are protective to dental pulp cells in culture against the toxicity of the composite materials Durafill VS and Flow Line. Since the toxicity of these materials is mediated by oxidative stress, it seemed possible that the protective effects of IGF-1 and TGF-β were through enhancement of an endogenous antioxidant mechanism. Methods We used cultured dental pulp cells to determine the mechanism of the protective effects of IGF-1 and TGF-β, focusing on the glutathione system and the role of cystine/glutamate exchange (system xc-). Results We found that the toxicity of Durafill VS and Flow Line was attenuated by addition of glutathione monoethylester, suggesting a specific role for the cellular antioxidant glutathione. Supporting this hypothesis we found that IGF-1 and TGF-β were protective against the toxicity of the glutathione synthesis inhibitor buthionine sulfoximine. Since levels of cellular cystine are the limiting factor in the production of glutathione we tested the effects of IGF-1 and TGF-β on cystine uptake. Both growth factors stimulated system xc- mediated cystine uptake. Furthermore, they attenuated the glutathione depletion induced by Durafill VS and Flow Line. Conclusions The results suggest that IGF-1 and TGF-β are protective through the stimulation of system xc- mediated cystine uptake leading to maintenance of cellular glutathione. This novel action of growth factors on dental pulp cells has implications not only for preventing toxicity of dental materials but also for the general function of these cells. PMID:21689549

Exchange and correlation effects on plasmon dispersions and Coulomb drag in low-density electron bilayers

NASA Astrophysics Data System (ADS)

Badalyan, S. M.; Kim, C. S.; Vignale, G.; Senatore, G.

2007-03-01

We investigate the effect of exchange and correlation (XC) on the plasmon spectrum and the Coulomb drag between spatially separated low-density two-dimensional electron layers. We adopt a different approach, which employs dynamic XC kernels in the calculation of the bilayer plasmon spectra and of the plasmon-mediated drag, and static many-body local field factors in the calculation of the particle-hole contribution to the drag. The spectrum of bilayer plasmons and the drag resistivity are calculated in a broad range of temperatures taking into account both intra- and interlayer correlation effects. We observe that both plasmon modes are strongly affected by XC corrections. After the inclusion of the complex dynamic XC kernels, a decrease of the electron density induces shifts of the plasmon branches in opposite directions. This is in stark contrast with the tendency observed within random phase approximation that both optical and acoustical plasmons move away from the boundary of the particle-hole continuum with a decrease in the electron density. We find that the introduction of XC corrections results in a significant enhancement of the transresistivity and qualitative changes in its temperature dependence. In particular, the large high-temperature plasmon peak that is present in the random phase approximation is found to disappear when the XC corrections are included. Our numerical results at low temperatures are in good agreement with the results of recent experiments by Kellogg [Solid State Commun. 123, 515 (2002)].

Plane-Wave Implementation and Performance of à-la-Carte Coulomb-Attenuated Exchange-Correlation Functionals for Predicting Optical Excitation Energies in Some Notorious Cases.

PubMed

Bircher, Martin P; Rothlisberger, Ursula

2018-06-12

Linear-response time-dependent density functional theory (LR-TD-DFT) has become a valuable tool in the calculation of excited states of molecules of various sizes. However, standard generalized-gradient approximation and hybrid exchange-correlation (xc) functionals often fail to correctly predict charge-transfer (CT) excitations with low orbital overlap, thus limiting the scope of the method. The Coulomb-attenuation method (CAM) in the form of the CAM-B3LYP functional has been shown to reliably remedy this problem in many CT systems, making accurate predictions possible. However, in spite of a rather consistent performance across different orbital overlap regimes, some pitfalls remain. Here, we present a fully flexible and adaptable implementation of the CAM for Γ-point calculations within the plane-wave pseudopotential molecular dynamics package CPMD and explore how customized xc functionals can improve the optical spectra of some notorious cases. We find that results obtained using plane waves agree well with those from all-electron calculations employing atom-centered bases, and that it is possible to construct a new Coulomb-attenuated xc functional based on simple considerations. We show that such a functional is able to outperform CAM-B3LYP in some cases, while retaining similar accuracy in systems where CAM-B3LYP performs well.

Prospective and retrospective evaluation of the Cepheid Xpert® Flu/RSV XC assay for rapid detection of influenza A, influenza B, and respiratory syncytial virus.

PubMed

Salez, Nicolas; Nougairede, Antoine; Ninove, Laetitia; Zandotti, Christine; de Lamballerie, Xavier; Charrel, Remi N

2015-04-01

A total of 281 clinical specimens (nasal swabs and nasopharyngeal aspirates) were tested with the Xpert® Flu/RSV XC. The results were compared to those obtained with the real-time retro transcriptase-polymerase chain reaction assays routinely used in our laboratory. The Xpert® Flu/RSV XC showed sensitivity/specificity of 97.8%/100% and 97.9%/100% for flu and respiratory syncytial virus, respectively. Copyright © 2015 Elsevier Inc. All rights reserved.

Effects of Tetrafluoroborate and Bis(trifluoromethylsulfonyl)amide Anions on the Microscopic Structures of 1-Methyl-3-octylimidazolium-Based Ionic Liquids and Benzene Mixtures: A Multiple Approach by ATR-IR, NMR, and Femtosecond Raman-Induced Kerr Effect Spectroscopy.

PubMed

Shirota, Hideaki; Kakinuma, Shohei; Itoyama, Yu; Umecky, Tatsuya; Takamuku, Toshiyuki

2016-01-28

The microscopic aspects of the two series of mixtures of 1-methyl-3-octylimidazolium tetrafluoroborate ([MOIm][BF4])-benzene and 1-methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)amide ([MOIm][NTf2])-benzene were investigated by several spectroscopic techniques such as attenuated total reflectance IR (ATR-IR), NMR, and fs-Raman-induced Kerr effect spectroscopy (fs-RIKES). All three different spectroscopic results indicate that the anions more strongly interact with the cations in the [MOIm][BF4]-benzene mixtures than in the [MOIm][NTf2]-benzene mixtures. This also explains the different miscibility features between the two mixture systems well. The xC6H6 dependences of the chemical shifts and the C-H out-of-plane bending mode of benzene are similar: the changes are large in the high benzene concentration (xC6H6 > ∼ 0.6) compared to the low benzene concentration. In contrast, the linear xC6H6 dependences of the first moments of the low-frequency spectra less than 200 cm(-1) were observed in both the [MOIm][BF4]-benzene and [MOIm][NTf2]-benzene systems. The difference in the xC6H6 dependent features between the chemical shifts and intramolecular vibrational mode and the intermolecular/interionic vibrational bands might come from the different probing space scales. The traces of the parallel aromatic ring structure and the T-shape structure were found in the ATR-IR and NMR experiments, but fs-RIKES did not observe a clear trace of the local structure. This might imply that the interactions between the imidazolium and benzene rings are not strong enough to librate the imidazolium and benzene rings together. The bulk properties, such as miscibility, density, viscosity, and surface tension, of the two ionic liquid-benzene mixture series were also compared to the microscopic aspects.

Number of Blades-up Runs Using JetStream XC Atherectomy for Optimal Tissue Debulking in Patients with Femoropopliteal Artery In-Stent Restenosis.

PubMed

Shammas, Nicolas W; Shammas, Gail A; Aasen, Nicole; Jarvis, Gary

2015-12-01

Rotational atherectomy with the use of the JetStream XC device is indicated for treatment of infrainguinal arterial obstructive disease. The number of blades-up (BU) runs needed for optimal tissue debulking in femoropopliteal in-stent restenosis (ISR) is unknown. In the present series, 6 patients (15 lesions) were treated for femoropopliteal ISR with the JetStream XC device. Minimal luminal diameter or percent stenosis improved significantly from baseline after 2 BU runs, but no further gain was seen between 2 and 4 BU runs (P > .05). However, adjunctive balloon angioplasty reduced percent stenosis significantly following BU runs. In conclusion, the JetStream XC device achieved optimal acute angiographic results in treating femoropopliteal ISR following 2 BU runs and adjunctive balloon angioplasty. Copyright © 2015 SIR. Published by Elsevier Inc. All rights reserved.

The PAS domain-containing histidine kinase RpfS is a second sensor for the diffusible signal factor of Xanthomonas campestris.

PubMed

An, Shi-Qi; Allan, John H; McCarthy, Yvonne; Febrer, Melanie; Dow, J Maxwell; Ryan, Robert P

2014-05-01

A cell-cell signalling system mediated by the fatty acid signal DSF controls the virulence of Xanthomonas campestris pv. campestris (Xcc) to plants. The synthesis and recognition of the DSF signal depends upon different Rpf proteins. DSF signal generation requires RpfF whereas signal perception and transduction depends upon the sensor RpfC and regulator RpfG. Detailed analyses of the regulatory roles of different Rpf proteins have suggested the occurrence of further sensors for DSF. Here we have used a mutagenesis approach coupled with high-resolution transcriptional analysis to identify XC_2579 (RpfS) as a second sensor for DSF in Xcc. RpfS is a complex sensor kinase predicted to have multiple Per/Arnt/Sim (PAS) domains, a histidine kinase domain and a C-terminal receiver (REC) domain. Isothermal calorimetry showed that DSF bound to the isolated N-terminal PAS domain with a Kd of 1.4 μM. RpfS controlled expression of a sub-set of genes distinct from those controlled by RpfC to include genes involved in type IV secretion and chemotaxis. Mutation of XC_2579 was associated with a reduction in virulence of Xcc to Chinese Radish when assayed by leaf spraying but not by leaf inoculation, suggesting a role for RpfS-controlled factors in the epiphytic phase of the disease cycle. © 2014 The Authors. Molecular Microbiology published by John Wiley & Sons Ltd.

Transport properties of Y1-xNdxCo2 compounds

NASA Astrophysics Data System (ADS)

Uchima, K.; Takeda, M.; Zukeran, C.; Nakamura, A.; Arakaki, N.; Komesu, S.; Takaesu, Y.; Hedo, M.; Nakama, T.; Yagasaki, K.; Uwatoko, Y.; Burkov, A. T.

2012-12-01

Electrical resistivity ρ and thermopower S of light rare earth-based pseudo-binary Y1-xNdxCo2 alloys have been measured at temperatures from 2 K to 300 K and under pressures up to 3.5 GPa. The Curie temperature of the alloys, TC, determined from characteristic features in the temperature dependences of the transport properties, decreases with decreasing Nd concentration x and vanishes around xc = 0.3. The residual resistivity has a pronounced maximum at x = xc. The temperature coefficient of thermopower dS/dT at low temperature limit shows a complex dependence on alloy composition: it changes its sign from negative to positive at x ≍ 0.2, having a maximum at x = xc, and is nearly composition independent at x > 0.5. The pressure dependences of TC and ρ0 of Yo.6Ndo.4Co2 reveal the behavior similar to that observed in the Y1-xRxHCo2 (RH = heavy rare earth) alloy systems, which implies that the magnetic state of the Co-3d electron subsystem is responsible for the transport properties in the Y1-xNdxCo2 alloys.

Clusters of imidazolium-based ionic liquid in benzene solutions.

PubMed

Shimomura, Takuya; Takamuku, Toshiyuki; Yamaguchi, Toshio

2011-07-07

Cluster formation of 1-dodecyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide (C(12)mim(+)TFSA(-)) in benzene solutions was investigated using small-angle neutron scattering (SANS), NMR, attenuated total reflectance infrared (ATR-IR), and large-angle X-ray scattering (LAXS) techniques. The SANS measurements revealed that C(12)mim(+)TFSA(-) is heterogeneously mixed with benzene in the narrow range of benzene mole fraction 0.9 ≤ x(C6D6) ≤ 0.995 with a maximum heterogeneity at x(C6D6) ≈ 0.99. The NMR results suggested that the imidazolium ring is sandwiched between benzene molecules through the cation-π interaction. Moreover, TFSA(-) probably interacts with the imidazolium ring even in the range of x(C6H6) ≥ 0.9. Thus, the imidazolium rings, benzene molecules, and TFSA(-) would form clusters in the C(12)mim(+)TFSA(-)-benzene solutions. The LAXS measurements showed that the distance between the imidazolium ring and benzene is ∼3.8 Å with that between the benzene molecules of ∼7.5 Å. On the basis of these results, we discussed a plausible reason for the liquid-liquid equilibrium of the C(12)mim(+)TFSA(-)-benzene system.

Correlated Light-Matter Interactions in Cavity QED

NASA Astrophysics Data System (ADS)

Flick, Johannes; Pellegrini, Camilla; Ruggenthaler, Michael; Appel, Heiko; Tokatly, Ilya; Rubio, Angel

2015-03-01

In the last decade, time-dependent density functional theory (TDDFT) has been successfully applied to a large variety of problems, such as calculations of absorption spectra, excitation energies, or dynamics in strong laser fields. Recently, we have generalized TDDFT to also describe electron-photon systems (QED-TDDFT). Here, matter and light are treated on an equal quantized footing. In this work, we present the first numerical calculations in the framework of QED-TDDFT. We show exact solutions for fully quantized prototype systems consisting of atoms or molecules placed in optical high-Q cavities and coupled to quantized electromagnetic modes. We focus on the electron-photon exchange-correlation (xc) contribution by calculating exact Kohn-Sham potentials using fixed-point inversions and present the performance of the first approximated xc-potential based on an optimized effective potential (OEP) approach. Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, and Fritz-Haber-Institut der MPG, Berlin

EMP Design Guidelines for Naval Ship Systems

DTIC Science & Technology

1975-08-22

le xc Ci .ube irret i Type FXC it LA 38 Beads 4 * 1 svj- I * 1 1 \\ Measured 3( )0 Beads V i i V 30 Bead 1 s...ATTN: R. W. Rostrom RCA Corporation Government & Commercial Systems Astro Electronics Division P. 0. Box 800 Princeton, New Jersey 08540 ATTN

The Effect of a Low-Speed Automatic Brake System Estimated From Real Life Data

PubMed Central

Isaksson-Hellman, Irene; Lindman, Magdalena

2012-01-01

A substantial part of all traffic accidents involving passenger cars are rear-end collisions and most of them occur at low speed. Auto Brake is a feature that has been launched in several passenger car models during the last few years. City Safety is a technology designed to help the driver mitigate, and in certain situations avoid, rear-end collisions at low speed by automatically braking the vehicle. Studies have been presented that predict promising benefits from these kinds of systems, but few attempts have been made to show the actual effect of Auto Brake. In this study, the effect of City Safety, a standard feature on the Volvo XC60 model, is calculated based on insurance claims data from cars in real traffic crashes in Sweden. The estimated claim frequency of rear-end frontal collisions measured in claims per 1,000 insured vehicle years was 23% lower for the City Safety equipped XC60 model than for other Volvo models without the system. PMID:23169133

The effect of a low-speed automatic brake system estimated from real life data.

PubMed

Isaksson-Hellman, Irene; Lindman, Magdalena

2012-01-01

A substantial part of all traffic accidents involving passenger cars are rear-end collisions and most of them occur at low speed. Auto Brake is a feature that has been launched in several passenger car models during the last few years. City Safety is a technology designed to help the driver mitigate, and in certain situations avoid, rear-end collisions at low speed by automatically braking the vehicle.Studies have been presented that predict promising benefits from these kinds of systems, but few attempts have been made to show the actual effect of Auto Brake. In this study, the effect of City Safety, a standard feature on the Volvo XC60 model, is calculated based on insurance claims data from cars in real traffic crashes in Sweden. The estimated claim frequency of rear-end frontal collisions measured in claims per 1,000 insured vehicle years was 23% lower for the City Safety equipped XC60 model than for other Volvo models without the system.

Development of Mirror Modules for the ART-XC Instrument aboard the Spectrum-Roentgen-Gamma Mission

NASA Technical Reports Server (NTRS)

Gubarev, Mikhail V.; Ramsey, Brian; O'Dell, Stephen L.; Elsner, Ronald F.; Kilaru, Kiranmayee; Atkins, Carolyn; Pavlinskiy, Mikhail N.; Tkachenko, Alexey V.; Lapshov, Igor Y.

2013-01-01

The Marshall Space Flight Center (MSFC) is developing x-ray mirror modules for the Astronomical Roengen Telescope- X-ray Concentrator (ART-XC) instrument on board the Spectrum-Roentgen-Gamma Mission. ART-XC will consist of seven co-aligned x-ray mirror modules with seven corresponding CdTe focal plane detectors. Each module provides an effective area of 65 sq cm at 8 keV, response out to 30 keV, and an angular resolution of 45 arcsec or better HPD. We will present a status of the ART x-ray module development at MSFC.

XC-cell fusion induced by murine plasmocytoma cells. II. Cytological and ultrastructural study.

PubMed

Lemay, P; Torpier, G; Lefebvre, J C; Samaille, J

1975-06-10

The MF2 strain, a mouse myeloma derived cell line, was found to induce the mixed culture cytopathogenicity test when cocultured with XC cells. Only one MF2 cell was present per syncytium, as shown by autoradiography. Pretreatment of cells with inhibitors of DNA, RNA or protein synthesis suggested that a normal RNA synthesis was required to obtain optimal polykaryon growth. Immunoelectron microscopy using a syngenic mouse MF2 cell antiserum and peroxydase labeling revealed a complete mixing and redistribution of the respective plasma membrane sites of MF2 and XC cells on polykaryon surface.

Oxidant-Antioxidant Balance during On-Pump Coronary Artery Bypass Grafting

PubMed Central

Mentese, Umit; Dogan, Orhan Veli; Turan, Ibrahim; Usta, Sefer; Dogan, Emre; Oztas Mentese, Seda; Demir, Selim; Ozer, Tanil; Aykan, Ahmet Cagri; Alver, Ahmet

2014-01-01

Backround. The aim of this study was to evaluate the changes in perioperative oxidant-antioxidant balance in ONCABG. Methods. Twenty-three patients were included in this study. Serum total oxidant status (TOS), total antioxidant status (TAS), and oxidative stress index (OSI) values were assessed preoperatively, at 20 minutes after aortic clamping and at 30 minutes, 6 hours, and 48 hours after declamping (reperfusion). The patients were divided into 2 groups according to the median aortic cross clamping (XC) time: group 1 (XC time < 42 minutes) and group 2 (XC time ≥ 42 minutes). Results. TOS and OSI values of whole patients at 30 minutes after reperfusion were higher than preoperative values (P = 0.045, P = 0.015), while perioperative TAS levels of the patients were similar to the preoperative levels (P = 0.173). XC time was correlated with TOS levels at 30 minutes after reperfusion (r = 0.43, P = 0.041). In group 2, TOS and OSI values at 30 minutes after reperfusion were higher than preoperative values (P = 0.023, P = 0.048), whereas a significant difference was not found in group 1 (P = 0.601, P = 0.327). Conclusions. Oxidative imbalance and increase in TOS at reperfusion in ONCABG may be associated with XC time. PMID:25302318

The XC chemokine receptor 1 is a conserved selective marker of mammalian cells homologous to mouse CD8α+ dendritic cells

PubMed Central

Crozat, Karine; Guiton, Rachel; Contreras, Vanessa; Feuillet, Vincent; Dutertre, Charles-Antoine; Ventre, Erwan; Vu Manh, Thien-Phong; Baranek, Thomas; Storset, Anne K.; Marvel, Jacqueline; Boudinot, Pierre; Hosmalin, Anne; Schwartz-Cornil, Isabelle

2010-01-01

Human BDCA3+ dendritic cells (DCs) were suggested to be homologous to mouse CD8α+ DCs. We demonstrate that human BDCA3+ DCs are more efficient than their BDCA1+ counterparts or plasmacytoid DCs (pDCs) in cross-presenting antigen and activating CD8+ T cells, which is similar to mouse CD8α+ DCs as compared with CD11b+ DCs or pDCs, although with more moderate differences between human DC subsets. Yet, no specific marker was known to be shared between homologous DC subsets across species. We found that XC chemokine receptor 1 (XCR1) is specifically expressed and active in mouse CD8α+, human BDCA3+, and sheep CD26+ DCs and is conserved across species. The mRNA encoding the XCR1 ligand chemokine (C motif) ligand 1 (XCL1) is selectively expressed in natural killer (NK) and CD8+ T lymphocytes at steady-state and is enhanced upon activation. Moreover, the Xcl1 mRNA is selectively expressed at high levels in central memory compared with naive CD8+ T lymphocytes. Finally, XCR1−/− mice have decreased early CD8+ T cell responses to Listeria monocytogenes infection, which is associated with higher bacterial loads early in infection. Therefore, XCR1 constitutes the first conserved specific marker for cell subsets homologous to mouse CD8α+ DCs in higher vertebrates and promotes their ability to activate early CD8+ T cell defenses against an intracellular pathogenic bacteria. PMID:20479118

A fuel-cell reactor for the direct synthesis of hydrogen peroxide alkaline solutions from H(2) and O(2).

PubMed

Yamanaka, Ichiro; Onisawa, Takeshi; Hashimoto, Toshikazu; Murayama, Toru

2011-04-18

The effects of the type of fuel-cell reactors (undivided or divided by cation- and anion-exchange membranes), alkaline electrolytes (LiOH, NaOH, KOH), vapor-grown carbon fiber (VGCF) cathode components (additives: none, activated carbon, Valcan XC72, Black Pearls 2000, Seast-6, and Ketjen Black), and the flow rates of anolyte (0, 1.5, 12 mL h(-1)) and catholyte (0, 12 mL h(-1)) on the formation of hydrogen peroxide were studied. A divided fuel-cell system, O(2) (g)|VGCF-XC72 cathode|2 M NaOH catholyte|cation-exchange membrane (Nafion-117)|Pt/XC72-VGCF anode|2 M NaOH anolyte at 12 mL h(-1) flow|H(2) (g), was effective for the selective formation of hydrogen peroxide, with 130 mA cm(-2) , a 2 M aqueous solution of H(2)O(2)/NaOH, and a current efficiency of 95 % at atmospheric pressure and 298 K. The current and formation rate gradually decreased over a long period of time. The cause of the slow decrease in electrocatalytic performance was revealed and the decrease was stopped by a flow of catholyte. Cyclic voltammetry studies at the VGCF-XC72 electrode indicated that fast diffusion of O(2) from the gas phase to the electrode, and quick desorption of hydrogen peroxide from the electrode to the electrolyte were essential for the efficient formation of solutions of H(2)O(2)/NaOH. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Using extirpation to evaluate ionic tolerance of freshwater fish.

PubMed

Griffith, Michael B; Zheng, Lei; Cormier, Susan M

2018-03-01

Field data of fish occurrences and specific conductivity were used to estimate the tolerance of freshwater fish to elevated ion concentrations and to compare the differences between species- and genus-level analyses for individual effects. We derived extirpation concentrations at the 95th percentile (XC95) of a weighted cumulative frequency distribution for fish species inhabiting streams of the central and southern Appalachians by customizing methods used previously with macroinvertebrate genera. Weighting factors were calculated based on the number of sites in basins where each species occurred, reducing overweighting observations of species restricted to fewer basins. Comparing the species- and genus-level fish XC95 values, XC95s for fish genera were near the XC95s for the most salt-tolerant species in the genus. Therefore, a genus-level effect threshold is not reliably predictive of species-level extirpation, unless the genus is monospecific in the assessed assemblage. Of the 101 fish species XC95 values, 5% were <509 and 10% were <565 µS/cm. The lowest XC95 for a species was 322 µS/cm, which is >300 µS/cm, the exposure estimated to extirpate 5% of macroinvertebrate genera in the central Appalachians. Above 509 µS/cm, 41 of the 101 species are expected to decline in occurrence. Environ Toxicol Chem 2018;37:871-883. Published 2017 Wiley Periodicals Inc. on behalf of SETAC. This article is a US government work and, as such, is in the public domain in the United States of America. Published 2017 Wiley Periodicals Inc. on behalf of SETAC. This article is a US government work and, as such, is in the public domain in the United States of America.

Characterization of Fructose 1,6-Bisphosphatase and Sedoheptulose 1,7-Bisphosphatase from the Facultative Ribulose Monophosphate Cycle Methylotroph Bacillus methanolicus

PubMed Central

Stolzenberger, Jessica; Lindner, Steffen N.; Persicke, Marcus; Brautaset, Trygve

2013-01-01

The genome of the facultative ribulose monophosphate (RuMP) cycle methylotroph Bacillus methanolicus encodes two bisphosphatases (GlpX), one on the chromosome (GlpXC) and one on plasmid pBM19 (GlpXP), which is required for methylotrophy. Both enzymes were purified from recombinant Escherichia coli and were shown to be active as fructose 1,6-bisphosphatases (FBPases). The FBPase-negative Corynebacterium glutamicum Δfbp mutant could be phenotypically complemented with glpXC and glpXP from B. methanolicus. GlpXP and GlpXC share similar functional properties, as they were found here to be active as homotetramers in vitro, activated by Mn2+ ions and inhibited by Li+, but differed in terms of the kinetic parameters. GlpXC showed a much higher catalytic efficiency and a lower Km for fructose 1,6-bisphosphate (86.3 s−1 mM−1 and 14 ± 0.5 μM, respectively) than GlpXP (8.8 s−1 mM−1 and 440 ± 7.6 μM, respectively), indicating that GlpXC is the major FBPase of B. methanolicus. Both enzymes were tested for activity as sedoheptulose 1,7-bisphosphatase (SBPase), since a SBPase variant of the ribulose monophosphate cycle has been proposed for B. methanolicus. The substrate for the SBPase reaction, sedoheptulose 1,7-bisphosphate, could be synthesized in vitro by using both fructose 1,6-bisphosphate aldolase proteins from B. methanolicus. Evidence for activity as an SBPase could be obtained for GlpXP but not for GlpXC. Based on these in vitro data, GlpXP is a promiscuous SBPase/FBPase and might function in the RuMP cycle of B. methanolicus. PMID:24013630

New physics in inclusive B →Xcℓν ¯ decay in light of R (D(*)) measurements

NASA Astrophysics Data System (ADS)

Kamali, Saeed; Rashed, Ahmed; Datta, Alakabha

2018-05-01

In this work we study the effects of new-physics (NP) operators with different Lorentz structures on the inclusive B →Xcτ ν ¯ decay and make predictions for the ratio of total decay rates R (Xc)=Γ/(B →Xcτ ν¯ τ) Γ (B →Xcℓν¯ ℓ) with ℓ=e , μ , the differential decay rates, d/Γ d q2 and d/Γ d Eτ , forward-backward asymmetry AF B and the ratio of the differential decay rates B (q2)=d/Γ (B →Xcτ ν¯ τ)/d q2 d Γ (B →Xcℓν¯ ℓ)/d q2 . In addition, we introduce some leptoquark models as explicit models of the NP operators and study their effects on the inclusive decay. We consider O (αs) radiative and 1 /mb nonperturbative corrections to the Standard Model (SM) decay rate and ignore their small effects in the NP contributions.

Status of ART-XC/SRG Instrument

NASA Technical Reports Server (NTRS)

Pavlinsky, M.; Akimov, V.; Levin, V.; Lapshov, I.; Tkachenko, A.; Semena, N.; Buntov, M.; Glushenko, A.; Arefiev, V.; Yaskovich, A.;

Ab Initio Quantum Monte Carlo Simulation of the Warm Dense Electron Gas in the Thermodynamic Limit

DOE PAGES

Dornheim, Tobias; Groth, Simon; Sjostrom, Travis; ...

2016-10-07

Here we perform ab initio quantum Monte Carlo (QMC) simulations of the warm dense uniform electron gas in the thermodynamic limit. By combining QMC data with the linear response theory, we are able to remove finite-size errors from the potential energy over the substantial parts of the warm dense regime, overcoming the deficiencies of the existing finite-size corrections by Brown et al. [Phys. Rev. Lett. 110, 146405 (2013)]. Extensive new QMC results for up to N = 1000 electrons enable us to compute the potential energy V and the exchange-correlation free energy F xc of the macroscopic electron gas withmore » an unprecedented accuracy of | Δ V | / | V | , | Δ F xc | / | F | xc ~ 10 $-$3. Finally, a comparison of our new data to the recent parametrization of F xc by Karasiev et al. [Phys. Rev. Lett. 112, 076403 (2014)] reveals significant deviations to the latter.« less

EPHA2 MUTATIONS CONTRIBUTE TO CONGENITAL CATARACT THROUGH DIVERSE MECHANISMS.

PubMed

Dave, Alpana; Martin, Sarah; Kumar, Raman; Craig, Jamie E; Burdon, Kathryn P; Sharma, Shiwani

2016-01-01

Congenital cataract is a leading cause of childhood blindness. Mutations in the EPHA2 gene are one of the causes of inherited congenital cataract. The EPHA2 gene encodes a membrane-bound tyrosine kinase receptor and is highly expressed in epithelial cells, including in the ocular lens. Signaling through the EPHA2 receptor plays a pivotal role in epithelial cell homeostasis. The aim of this study was to determine the effect of congenital cataract causing mutations in the EPHA2 gene on the encoded protein in epithelial cells. The effect of five disease-causing mutations, p.P584L (c.1751C>T), p.T940I (c.2819C>T), p.D942fsXC71 (c.2826-9G>A), p.A959T (c.2875G>A), and p.V972GfsX39 (c.2915_2916delTG), on localization of the protein was examined in two in vitro epithelial cell culture systems: Madin-Darby Canine Kidney (MDCK) and human colorectal adenocarcinoma (Caco-2) epithelial cells. Myc-tagged mutant constructs were generated by polymerase chain reaction (PCR)-based mutagenesis. The Myc-tagged wild-type construct was used as a control. The Myc-tagged wild-type and mutant proteins were ectopically expressed and detected by immunofluorescence labeling. Two of the mutations, p.T940I and p.D942fsXC71, located within the cytoplasmic sterile-α-motif (SAM) domain of EPHA2, led to mis-localization of the protein to the perinuclear space and co-localization with the cis-golgi apparatus, indicating sub-organellar/cellular retention of the mutant proteins. The mutant proteins carrying the remaining three mutations, similar to the wild-type EPHA2, localized to the cell membrane. Mis-localization of two of the mutant proteins in epithelial cells suggests that some disease-causing mutations in EPHA2 likely affect lens epithelial cell homeostasis and contribute to cataract. This study suggests that mutations in EPHA2 contribute to congenital cataract through diverse mechanisms.

Development of Mirror Modules for the ART-XC Instrument aboard the Spectrum-Roentgen-Gamma Mission

NASA Technical Reports Server (NTRS)

Gubarev, M.; Ramsey, B.; O'Dell, S. L.; Elsner, R.; Kilaru, K.; McCracken, J.; Atkins, C.; Pavlinsky, M.; Tkachenko, A.; Lapshov, I.

2013-01-01

MSFC is developing eight x-ray mirror modules for the ART-XC instrument on board the SRG Mission. The Engineering Unit tests are successful. MSFC is on schedule to deliver flight units in the November of 2013 and January 2014.

Biochemical Markers of Brain Injury: An Integrated Proteomics-Based Approach

DTIC Science & Technology

2006-02-01

Anthony J Williams, X-C May Lu, Renwu Chen, Zhilin Liao, Rebeca Connors, Kevin K Wang, Ron L Hayes, Frank C Tortella, Jitendra R Dave. High throughput... YANG , A., et al. (2002). Evalu- ation of two-dimensional differential gel electrophoresis for proteomic expression analysis of a model breast cancer cell...apoptosis. J. Biol. Chem. 279, 1030–1039. Kuida K., Zheng T. S., Na S., Kuan C., Yang D., Karasuyama H., Rakic P. and Flavell R. A. (1996) Decreased apoptosis

Prospective and Retrospective Evaluation of the Performance of the FDA-Approved Cepheid Xpert Flu/RSV XC Assay.

PubMed

Arbefeville, Sophie; Thonen-Kerr, Elizabeth; Ferrieri, Patricia

2017-11-08

Rapid and accurate detection of respiratory viruses is important in patient care and in guiding therapy and infection prevention policy. Rapid viral antigen assays are simple to perform and provide results within 15 to 30 minutes but are limited by their modest-to-moderate sensitivity. Molecular assays are more sensitive and specific but require more technical time and expertise and are more expensive. We verified the performance of the Xpert Flu/RSV XC assay prospectively, using patient respiratory samples from the 2014-2015 respiratory season, and, retrospectively, with frozen patient samples from the previous respiratory season. A total of 60 specimens were assayed on the Xpert Flu/RSV XC assay and by the GenMark Diagnostics eSensor Respiratory Viral Panel. The sensitivity of the Xpert Flu/RSV XC for Flu A was 100% (23/23), for Flu B, 80% (8/10), and for respiratory syncytial virus (RSV), 94.1% (16/17), compared to the reference assay (GenMark). The specificity was 100%. Eight specimens were positive for viruses other than Flu A/B or RSV, and this did not interfere with detection of targets in the Xpert assay. We demonstrated that the performance of the Xpert Flu/RSV XC was comparable to the more comprehensive molecular respiratory assay. © American Society for Clinical Pathology, 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Sol-gel processed thin-layer ruthenium oxide/carbon black supercapacitors: A revelation of the energy storage issues

NASA Astrophysics Data System (ADS)

Panić, V. V.; Dekanski, A. B.; Stevanović, R. M.

Hydrous ruthenium oxide/carbon black nanocomposites were prepared by impregnation of the carbon blacks by differently aged inorganic RuO 2 sols, i.e. of different particle size. Commercial Black Pearls 2000 ® (BP) and Vulcan ® XC-72 R (XC) carbon blacks were used. Capacitive properties of BP/RuO 2 and XC/RuO 2 composites were investigated by cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) in H 2SO 4 solution. Capacitance values and capacitance distribution through the composite porous layer were found different if high- (BP) and low- (XC) surface-area carbons are used as supports. The aging time (particle size) of Ru oxide sol as well as the concentration of the oxide solid phase in the impregnating medium influenced the capacitive performance of prepared composites. While the capacitance of BP-supported oxide decreases with the aging time, the capacitive ability of XC-supported oxide is promoted with increasing oxide particle size. The increase in concentration of the oxide solid phase in the impregnating medium caused an improvement of charging/discharging characteristics due to pronounced pseudocapacitance contribution of the increasing amount of inserted oxide. The effects of these variables in the impregnation process on the energy storage capabilities of prepared nanocomposites are envisaged as a result of intrinsic way of population of the pores of carbon material by hydrous Ru oxide particle.

Spatial Orientation in Flight

DTIC Science & Technology

1993-11-01

activating system or the vestibular efferent system , or both, are responsible for the resulting heightened arousal and enhanced vestibular information...the emetic response to poisons. When an animal ingests a tý.xc substance and experiences its effects on the central nervous system ---,m,-!y...ACCELERATION ax,xy,az ANGULAR REACTION RxRy,Rz Figure 2. System for describing acceleratiots and inertial reactions in humans . (Adapted from Hixson et

Development of Mirror Modules for the ART-XC Instrument

NASA Technical Reports Server (NTRS)

Gubarev, M.; Ramsey, B.; O'Dell, S. L.; Elsner, R.; Kilaru, K.; McCracken, J.; Pavlinsky, M.; Lapshov, I.

2012-01-01

The Marshall Space Flight Center (MSFC) is developing x-ray mirror modules for the ART -XC instrument on board the Spectrum-Roentgen-Gamma Mission under a Reimbursable Agreement between NASA and the Russian Space Research Institute (IKI.) ART-XC will consist of seven co-aligned x-ray mirror modules with seven corresponding CdTe focal plane detectors. Currently, four of the modules are being fabricated by the Marshall Space Flight Center (MSFC.) Each MSFC module provides an effective area of 65 cm2 at 8 keV, response out to 30 keV, and an angular resolution of 45 arcsec or better HPD. We will present a status of the ART x-ray module development at MSFC.

Performance of the fusion code GYRO on four generations of Cray computers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fahey, Mark R

2014-01-01

GYRO is a code used for the direct numerical simulation of plasma microturbulence. It has been ported to a variety of modern MPP platforms including several modern commodity clusters, IBM SPs, and Cray XC, XT, and XE series machines. We briefly describe the mathematical structure of the equations, the data layout, and the redistribution scheme. Also, while the performance and scaling of GYRO on many of these systems has been shown before, here we show the comparative performance and scaling on four generations of Cray supercomputers including the newest addition - the Cray XC30. The more recently added hybrid OpenMP/MPImore » imple- mentation also shows a great deal of promise on custom HPC systems that utilize fast CPUs and proprietary interconnects. Four machines of varying sizes were used in the experiment, all of which are located at the National Institute for Computational Sciences at the University of Tennessee at Knoxville and Oak Ridge National Laboratory. The advantages, limitations, and performance of using each system are discussed.« less

Wireless Intrusion Detection

DTIC Science & Technology

2007-03-01

32 4.4 Algorithm Pseudo - Code ...................................................................................34 4.5 WIND Interface With a...difference estimates of xc temporal derivatives, or by using a polynomial fit to the previous values of xc. 34 4.4 ALGORITHM PSEUDO - CODE Pseudo ...Phase Shift Keying DQPSK Differential Quadrature Phase Shift Keying EVM Error Vector Magnitude FFT Fast Fourier Transform FPGA Field Programmable

Coastal Response, a system of detached breakwaters

NASA Astrophysics Data System (ADS)

García Ortiz, Isabelo; Negro Valdecantos, Vicente; Santos López, Jose; Esteban, María Dolores

2017-04-01

The coastline's sedimentary response in the form of a tombolo or semi-tombolo (salient) as a result of the construction of detached breakwaters is an aspect that should be known in the design phase so that these marine structures may be properly designed. In achieving an ecological, social and economic value, such areas must also be properly managed. All design methods in existence since Dean (1978) are mainly based on hypotheses formulated from geometric studies on existing formations. No relationship at all is established with climate and littoral dynamics typical of the location (only Suh and Darlymple (1987) and the Japanese Ministry of Construction (1986) present relationships depending on wave variables). Neither has the influence on systems with more than two breakwaters been studied. These methods are not fully adapted to the cases existing on the Spanish Mediterranean littoral. The lines of investigation as proposed by L. Bricio and V. Negro (2010) were continued with for this study. These researchers developed a method for dimensioning isolated, detached breakwaters and their semi-tombolo or tombolo associated formations using all the characteristics of the site (energy, geometric and structural), specific climate and geomorphology and littoral dynamics' characteristics. This methodology is currently acknowledged and accepted in works undertaken on the Spanish Mediterranean littoral. A linear regression was obtained in the investigation undertaken on the 18 detached breakwater systems along the whole of the 1670 km of the Spanish Mediterranean littoral using the proposals made by L. Bricio and V. Negro. The adjustment of R2 ≥ 0.90 was used for the sandy, tombolo formations behind all the detached breakwater systems between several non-dimensional monomials displaying the most representative characteristics of the site. L/H12 + (2ṡB)/G =12,15ṡ(X/Xc)+7,3231 X: Distance of breakwaters from coastline Xc: Distance from coastline where the closure depth is reached L: Wave length in average statistical regime at foot of breakwater depth H12: Significant wave height only surpassed or exceeded twelve hours a year in average statistical regime B: Length of breakwater G: Distance between breakwaters On being adapted to all cases on the Spanish littoral, this expression proves that tombolo formations are minimally affected by the existence of more than two breakwaters. However, this influence should be even further studied in future investigations requiring the said expression. Climate and structural geometry parameters are therefore related through the expression mentioned in the form of monomials on unconsolidated, moving sediment bottoms. The distance between detached structures will be established on the basis of sustainability and respect for the environment for the circulation and renewal of sheltered water.

Rotating Disk Slurry Au Electrodeposition at Unsupported Carbon Vulcan XC-72 and Ce 3+ Impregnation for Ethanol Oxidation in Alkaline Media

DOE PAGES

Betancourt, Luis E.; Guzman-Blas, Rolando; Luo, Si; ...

2016-11-19

A robust electrodeposition method consisting of the rotating disk slurry electrode (RoDSE) technique to obtain Au nanoparticles highly dispersed on a conductive carbonaceous support, i.e., Vulcan XC-72R, for ethanol electrooxidation reaction in alkaline media was developed. Ceria was used as a cocatalyst using a Ce(III)-EDTA impregnation method in order to enhance the catalytic activity and improve the catalyst’s overall stability. Furthermore, the RoDSE method used to obtain highly dispersed Au nanoparticles does not require the use of a reducing agent or stabilizing agent, and the noble-metal loading was controlled by the addition and tuning of the metal precursor concentration. Inductivelymore » coupled plasma and thermogravimetric analysis indicated that the Au loading in the catalyst was 9 %. We determined the particle size and characteristic Au fcc crystal facets by X-ray diffraction. The morphology of the catalyst was also investigated using electron microscopy techniques. In addition, X-ray absorption spectroscopy was used to corroborate the presence and identify the oxidation state of Ce in the system and to observe if there are any electronic interactions within the 8 % Au/CeO x/C system. Cyclic voltammetry of electrodeposited 9 % Au/C and Ce-promoted 8 % Au/C showed a higher catalytic current density for ethanol oxidation when compared with commercially available catalysts (20 % Au/C) of a higher precious metal loading. Additionally, we report a higher stability toward the ethanol electrooxidation process, which was corroborated by 1 mV/s linear sweep voltammetry and chronoamperometric studies.« less

Magnetic phase diagrams of amorphous (Ni100-xFex)-metalloid alloys: The key role of the electronic density of states at the Fermi level for the onset of magnetic order

NASA Astrophysics Data System (ADS)

Kiss, L. F.; Bakonyi, I.

2017-11-01

There have been extended studies on the appearance of ferromagnetism in transition-metal-metalloid (MD) glasses. In particular, the paramagnetic (PM) to ferromagnetic (FM) transition has been investigated on numerous (Ni100-xFex)-MD alloys upon the introduction of Fe where MD can represent a combination of various metalloid elements, while keeping the metal/metalloid ratio constant. It has been reported that adding a sufficient amount of Fe to a Pauli PM Ni-MD alloy matrix first induces a spin-glass (SG) state at low temperatures which goes over to a PM state at higher temperatures. Beyond a certain Fe content, xc, the SG state transforms to a FM state upon increasing the temperature. By plotting the characteristic transition temperatures as a function of the Fe content, a magnetic phase diagram can be constructed for each Ni-Fe-MD system which has a multicritical point (MCP) at xc. By using the reported magnetic phase diagrams of various Ni-Fe-MD alloy systems, it is shown that the critical Fe content, xc scales inversely with the density of states at the Fermi level, N(EF), of the parent Ni-MD matrix. This means that the higher the N(EF), the lower the critical Fe content to induce ferromagnetism in the Ni-MD matrix. This is then discussed in terms of the Stoner enhancement factor, S, which characterizes the tendency of the matrix to become ferromagnetic.

The effect of foot orthotic use on exercise related leg pain in cross country athletes.

PubMed

Reinking, Mark F; Hayes, Ann M; Austin, Tricia M

2012-11-01

The purposes of this research were to (1) investigate the effect of foot orthotic use on exercise related leg pain (ERLP) in cross-country (XC) athletes, and (2) determine if an association between foot type and foot orthotic use exists. Prospective cohort design. High schools and colleges in a Midwestern metropolitan region. 213 high school and college XC athletes (107 male, 106 female). Participants were seen before the fall XC season for classification of foot type, visual orthotic inspection, and questionnaire completion regarding foot orthotic use and ERLP. Statistical analysis of relationships (chi-square) was conducted. 37 of the 213 XC athletes (17.4%) used foot orthotics; 31 of the 37 athletes using foot orthotics (83.8%) reported a history of ERLP. Of these 31 athletes, 17 (54.8%) were using orthotics for ERLP and 15 reported a decrease in ERLP with orthotic use. Fourteen athletes were using orthotics for a reason other than ERLP and only 2 reported a decrease in ERLP with orthotic use. Athletes using orthotics included all three foot types (pronated, neutral, supinated) with no relationship between orthotic use and foot type. One-sixth of the XC athletes used foot orthotics and most using orthotics for ERLP reported a decrease in ERLP symptoms. The majority of athletes using orthotics for reasons other than ERLP reported no change in ERLP symptoms. There was no association between foot type and orthotic use. Copyright © 2011 Elsevier Ltd. All rights reserved.

A reappraisal of success factors for Olympic cross-country skiing.

PubMed

Sandbakk, Øyvind; Holmberg, Hans-Christer

2014-01-01

Cross-country (XC) skiing has been an Olympic event since the first Winter Games in Chamonix, France, in 1924. Due to more effective training and tremendous improvements in equipment and track preparation, the speed of Olympic XC-ski races has increased more than that of any other Olympic endurance sport. Moreover, pursuit, mass-start, and sprint races have been introduced. Indeed, 10 of the 12 current Olympic competitions in XC skiing involve mass starts, in which tactics play a major role and the outcome is often decided in the final sprint. Accordingly, reappraisal of the success factors for performance in this context is required. The very high aerobic capacity (VO2max) of many of today's world-class skiers is similar that of their predecessors. At the same time, the new events provide more opportunities to profit from anaerobic capacity, upper-body power, high-speed techniques, and "tactical flexibility." The wide range of speeds and slopes involved in XC skiing requires skiers to continuously alternate between and adapt different subtechniques during a race. This technical complexity places a premium on efficiency. The relative amounts of endurance training performed at different levels of intensity have remained essentially constant during the past 4 decades. However, in preparation for the Sochi Olympics in 2014, XC skiers are performing more endurance training on roller skis on competition-specific terrain, placing greater focus on upper-body power and more systematically performing strength training and skiing at high speeds than previously.

Central and peripheral fatigue in knee and elbow extensor muscles after a long-distance cross-country ski race.

PubMed

Boccia, G; Dardanello, D; Zoppirolli, C; Bortolan, L; Cescon, C; Schneebeli, A; Vernillo, G; Schena, F; Rainoldi, A; Pellegrini, B

2017-09-01

Although elbow extensors (EE) have a great role in cross-country skiing (XC) propulsion, previous studies on neuromuscular fatigue in long-distance XC have investigated only knee extensor (KE) muscles. In order to investigate the origin and effects of fatigue induced by long-distance XC race, 16 well-trained XC skiers were tested before and after a 56-km classical technique race. Maximal voluntary isometric contraction (MVC) and rate of force development (RFD) were measured for both KE and EE. Furthermore, electrically evoked double twitch during MVC and at rest were measured. MVC decreased more in KE (-13%) than in EE (-6%, P = 0.016), whereas the peak RFD decreased only in EE (-26%, P = 0.02) but not in KE. The two muscles showed similar decrease in voluntary activation (KE -5.0%, EE -4.8%, P = 0.61) and of double twitch amplitude (KE -5%, EE -6%, P = 0.44). A long-distance XC race differently affected the neuromuscular function of lower and upper limbs muscles. Specifically, although the strength loss was greater for lower limbs, the capacity to produce force in short time was more affected in the upper limbs. Nevertheless, both KE and EE showed central and peripheral fatigue, suggesting that the origins of the strength impairments were multifactorial for the two muscles. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

XC-142 Tilt Wing; 0.6 Scale Model in the 40x80 Foot Wind Tunnel at NASA Ames Research Center.

NASA Image and Video Library

1964-01-22

3/4 front right side only with Tim Wills on right and Charles Greco, mechanic. Large flaps on Variable height struts. XC-142 was a tri-service tiltwing experimental aircraft designed to investigate the operational suitability of vertical/short takeoff and landing (V/STOL) transports.

ART-XC/SRG: joint calibration of mirror modules and x-ray detectors

NASA Astrophysics Data System (ADS)

Tkachenko, A.; Pavlinsky, M.; Levin, V.; Akimov, V.; Krivchenko, A.; Rotin, A.; Kuznetsova, M.; Lapshov, I.; Yaskovich, A.; Oleinikov, V.; Gubarev, M.; Ramsey, B.

2017-08-01

The Astronomical Roentgen Telescope - X-ray Concentrator (ART-XC) is a hard x-ray instrument with energy response 6-30 keV that will to be launched on board of the Spectrum Roentgen Gamma (SRG) Mission. ART-XC consists of seven co-aligned mirror modules coupled with seven focal plane CdTe double-sided strip detectors. The mirror modules had been fabricated and calibrated at the NASA Marshall Space Flight Center (MSFC). The Russian Space Research Institute (IKI) has developed and tested the X-ray detectors. The joint x-ray calibration of the mirror modules and focal plane detectors was carried out at the IKI test facility. Details of the calibration procedure and an overview of the results are presented here.

Identification of putative TAL effector targets of the citrus canker pathogens shows functional convergence underlying disease development and defense response

PubMed Central

2014-01-01

Background Transcriptional activator-like (TAL) effectors, formerly known as the AvrBs3/PthA protein family, are DNA-binding effectors broadly found in Xanthomonas spp. that transactivate host genes upon injection via the bacterial type three-secretion system. Biologically relevant targets of TAL effectors, i.e. host genes whose induction is vital to establish a compatible interaction, have been reported for xanthomonads that colonize rice and pepper; however, citrus genes modulated by the TAL effectors PthA“s” and PthC“s” of the citrus canker bacteria Xanthomonas citri (Xc) and Xanthomonas aurantifolii pathotype C (XaC), respectively, are poorly characterized. Of particular interest, XaC causes canker disease in its host lemon (Citrus aurantifolia), but triggers a defense response in sweet orange. Results Based on, 1) the TAL effector-DNA binding code, 2) gene expression data of Xc and XaC-infiltrated sweet orange leaves, and 3) citrus hypocotyls transformed with PthA2, PthA4 or PthC1, we have identified a collection of Citrus sinensis genes potentially targeted by Xc and XaC TAL effectors. Our results suggest that similar with other strains of Xanthomonas TAL effectors, PthA2 and PthA4, and PthC1 to some extent, functionally converge. In particular, towards induction of genes involved in the auxin and gibberellin synthesis and response, cell division, and defense response. We also present evidence indicating that the TAL effectors act as transcriptional repressors and that the best scoring predicted DNA targets of PthA“s” and PthC“s” in citrus promoters predominantly overlap with or localize near to TATA boxes of core promoters, supporting the idea that TAL effectors interact with the host basal transcriptional machinery to recruit the RNA pol II and start transcription. Conclusions The identification of PthA“s” and PthC“s” targets, such as the LOB (LATERAL ORGAN BOUNDARY) and CCNBS genes that we report here, is key for the understanding of the canker symptoms development during host susceptibility, or the defenses of sweet orange against the canker bacteria. We have narrowed down candidate targets to a few, which pointed out the host metabolic pathways explored by the pathogens. PMID:24564253

Identification of putative TAL effector targets of the citrus canker pathogens shows functional convergence underlying disease development and defense response.

PubMed

Pereira, Andre L A; Carazzolle, Marcelo F; Abe, Valeria Y; de Oliveira, Maria L P; Domingues, Mariane N; Silva, Jaqueline C; Cernadas, Raul A; Benedetti, Celso E

2014-02-25

Transcriptional activator-like (TAL) effectors, formerly known as the AvrBs3/PthA protein family, are DNA-binding effectors broadly found in Xanthomonas spp. that transactivate host genes upon injection via the bacterial type three-secretion system. Biologically relevant targets of TAL effectors, i.e. host genes whose induction is vital to establish a compatible interaction, have been reported for xanthomonads that colonize rice and pepper; however, citrus genes modulated by the TAL effectors PthA"s" and PthC"s" of the citrus canker bacteria Xanthomonas citri (Xc) and Xanthomonas aurantifolii pathotype C (XaC), respectively, are poorly characterized. Of particular interest, XaC causes canker disease in its host lemon (Citrus aurantifolia), but triggers a defense response in sweet orange. Based on, 1) the TAL effector-DNA binding code, 2) gene expression data of Xc and XaC-infiltrated sweet orange leaves, and 3) citrus hypocotyls transformed with PthA2, PthA4 or PthC1, we have identified a collection of Citrus sinensis genes potentially targeted by Xc and XaC TAL effectors. Our results suggest that similar with other strains of Xanthomonas TAL effectors, PthA2 and PthA4, and PthC1 to some extent, functionally converge. In particular, towards induction of genes involved in the auxin and gibberellin synthesis and response, cell division, and defense response. We also present evidence indicating that the TAL effectors act as transcriptional repressors and that the best scoring predicted DNA targets of PthA"s" and PthC"s" in citrus promoters predominantly overlap with or localize near to TATA boxes of core promoters, supporting the idea that TAL effectors interact with the host basal transcriptional machinery to recruit the RNA pol II and start transcription. The identification of PthA"s" and PthC"s" targets, such as the LOB (lateral organ boundary) and CCNBS genes that we report here, is key for the understanding of the canker symptoms development during host susceptibility, or the defenses of sweet orange against the canker bacteria. We have narrowed down candidate targets to a few, which pointed out the host metabolic pathways explored by the pathogens.

Studies of the hadronic mass spectrum from semileptonic decays of B mesons

NASA Astrophysics Data System (ADS)

Roberts, Scott Eric

1997-09-01

This dissertation describes a study of inclusive semileptonic decays of B mesons: B/to Xc/ell/nu and B/to Xu/ell/nu. Here, Xc is a hadronic system containing a charm quark, and Xu is a hadronic system not containing one. The term 'inclusive' indicates summation over all possible hadronic systems Xc and Xu. The study used B/bar B pairs produced in e+e/sp- annihilations at the Υ(4S) resonance, data collected with the CLEO-II detector at the Cornell Electron Storage Ring. A direct measurement of the momentum of the charged leptons (e and /mu), and an inferred measurement of the neutrino's momentum in events, makes possible an approximate calculation of MX2, the mass- squared of the hadronic system X. From this distribution we find, for b/to c/ell/nu decays with a lepton above 1.5 GeV/c,/eqalign[/langle M/it X2-/bar m/it D2/rangle& = 0.286/pm0.023/pm 0.080/ GeV2/cr <(M/it X2-/bar m/it D2)2/rangle& =0.911/pm0.066/pm0.309/ GeV4./cr]These measurements imply values for the Heavy Quark Effective Theory parameters, ¯Lambda and λ1, of/eqalign[/bar/Lambda& =0.351/pm0.019/pm0.088/pm0.037/ GeV/cr λ1& =[-]0.152/pm0.014/pm0.063/pm0.026/ GeV2./cr] By fitting the approximate MX2 distribution in events with leptons of momenta greater than 2.0 GeV/c, we find [/cal B](b/to u/ell/nu)(2.0[-]2.7/ [ GeV/c]) = (1.12/pm0.20/pm0.34)×10-3,which implies a value of 0.069/pm0.006/pm0.011/pm0.027 for the ratio of CKM matrix elements /vert[Vub/over Vcb]/vert.

A Fundamental Investigation of Crack and Surrounding Damage in Stiff Clays

DTIC Science & Technology

1988-09-01

equation of state is written in terms of entropy production. A generalized flux is identified as the centroidal movement of the damage zone, and the...on the following governing equation. I I a14 ( 1.1] Ti = z ’_Xc + "_.wXrOt + a.’X ef = 0 where Si is the global entropy production, 1, , and a are...convenient to express the internal energy density u in terms of i Gibb’s potential density and the entropy density s [6.3] u = g + Ts +’ijciji Here

SU-E-T-659: Quantitative Evaluation of Patient Setup Accuracy of Stereotactic Radiotherapy with the Frameless 6D-ExacTrac System Using Statistical Modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Keeling, V; Jin, H; Hossain, S

2015-06-15

Purpose: To evaluate patient setup accuracy and quantify individual and cumulative positioning uncertainties associated with different hardware and software components of the stereotactic radiotherapy (SRS/SRT) with the frameless-6D-ExacTrac system. Methods: A statistical model was used to evaluate positioning uncertainties of the different components of SRS/SRT treatment with the BrainLAB 6D-ExacTrac system using the positioning shifts of 35 patients having cranial lesions (49 total lesions treated in 1, 3, 5 fractions). All these patients were immobilized with rigid head-and-neck masks, simulated with BrainLAB-localizer and planned with iPlan treatment planning system. Infrared imaging (IR) was used initially to setup patients. Then, stereoscopicmore » x-ray images (XC) were acquired and registered to corresponding digitally-reconstructed-radiographs using bony-anatomy matching to calculate 6D-translational and rotational shifts. When the shifts were within tolerance (0.7mm and 1°), treatment was initiated. Otherwise corrections were applied and additional x-rays were acquired (XV) to verify that patient position was within tolerance. Results: The uncertainties from the mask, localizer, IR-frame, x-ray imaging, MV and kV isocentricity were quantified individually. Mask uncertainty (Translational: Lateral, Longitudinal, Vertical; Rotational: Pitch, Roll, Yaw) was the largest and varied with patients in the range (−1.05−1.50mm, −5.06–3.57mm, −5.51−3.49mm; −1.40−2.40°, −1.24−1.74°, and −2.43−1.90°) obtained from mean of XC shifts for each patient. Setup uncertainty in IR positioning (0.88,2.12,1.40mm, and 0.64,0.83,0.96°) was extracted from standard-deviation of XC. Systematic uncertainties of the localizer (−0.03,−0.01,0.03mm, and −0.03,0.00,−0.01°) and frame (0.18,0.25,−1.27mm,−0.32,0.18, and 0.47°) were extracted from means of all XV setups and mean of all XC distributions, respectively. Uncertainties in isocentricity of the MV radiotherapy machine were (0.27,0.24,0.34mm) and kV-imager (0.15,−0.4,0.21mm). Conclusion: A statistical model was developed to evaluate the individual and cumulative systematic and random uncertainties induced by the different hardware and software components of the 6D-ExacTrac-system. The immobilization mask was associated with the largest positioning uncertainty.« less

The Developmental Trajectory of Nonadjacent Dependency Learning

ERIC Educational Resources Information Center

Gomez, Rebecca; Maye, Jessica

2005-01-01

We investigated the developmental trajectory of nonadjacent dependency learning in an artificial language. Infants were exposed to 1 of 2 artificial languages with utterances of the form [aXc or bXd] (Grammar 1) or [aXd or bXc] (Grammar 2). In both languages, the grammaticality of an utterance depended on the relation between the 1st and 3rd…

Accurate Energies and Orbital Description in Semi-Local Kohn-Sham DFT

NASA Astrophysics Data System (ADS)

Lindmaa, Alexander; Kuemmel, Stephan; Armiento, Rickard

2015-03-01

We present our progress on a scheme in semi-local Kohn-Sham density-functional theory (KS-DFT) for improving the orbital description while still retaining the level of accuracy of the usual semi-local exchange-correlation (xc) functionals. DFT is a widely used tool for first-principles calculations of properties of materials. A given task normally requires a balance of accuracy and computational cost, which is well achieved with semi-local DFT. However, commonly used semi-local xc functionals have important shortcomings which often can be attributed to features of the corresponding xc potential. One shortcoming is an overly delocalized representation of localized orbitals. Recently a semi-local GGA-type xc functional was constructed to address these issues, however, it has the trade-off of lower accuracy of the total energy. We discuss the source of this error in terms of a surplus energy contribution in the functional that needs to be accounted for, and offer a remedy for this issue which formally stays within KS-DFT, and, which does not harshly increase the computational effort. The end result is a scheme that combines accurate total energies (e.g., relaxed geometries) with an improved orbital description (e.g., improved band structure).

Alloying effects on structural and thermal behavior of Ti{sub 1-x}Zr{sub x}C: A first principles study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chauhan, Mamta, E-mail: mamta-physics@yahoo.co.in; Gupta, Dinesh C., E-mail: sosfizix@gmail.com

2016-05-06

The formation energy, equilibrium lattice parameter, bulk modulus, Debye temperature and heat capacity at constant volume have been calculated for TiC, ZrC, and their intermediate alloys (Ti{sub 1-x}Zr{sub x}C, x = 0,0.25.0.5,0.75,1) using first principles approach. The calculated values of lattice parameter and bulk modulus agree well with the available experimental and earlier theoretical reports. The variation of lattice parameter and bulk modulus with the change in concentration of Zr atom in Ti{sub 1-x}Zr{sub x}C has also been reported. The heat capacities of TiC, ZrC, and their intermediate alloys have been calculated by considering both vibrational and electronic contributions.

Source-Free Exchange-Correlation Magnetic Fields in Density Functional Theory.

PubMed

Sharma, S; Gross, E K U; Sanna, A; Dewhurst, J K

2018-03-13

Spin-dependent exchange-correlation energy functionals in use today depend on the charge density and the magnetization density: E xc [ρ, m]. However, it is also correct to define the functional in terms of the curl of m for physical external fields: E xc [ρ,∇ × m]. The exchange-correlation magnetic field, B xc , then becomes source-free. We study this variation of the theory by uniquely removing the source term from local and generalized gradient approximations to the functional. By doing so, the total Kohn-Sham moments are improved for a wide range of materials for both functionals. Significantly, the moments for the pnictides are now in good agreement with experiment. This source-free method is simple to implement in all existing density functional theory codes.

Design of extensible meteorological data acquisition system based on FPGA

NASA Astrophysics Data System (ADS)

Zhang, Wen; Liu, Yin-hua; Zhang, Hui-jun; Li, Xiao-hui

2015-02-01

In order to compensate the tropospheric refraction error generated in the process of satellite navigation and positioning. Temperature, humidity and air pressure had to be used in concerned models to calculate the value of this error. While FPGA XC6SLX16 was used as the core processor, the integrated silicon pressure sensor MPX4115A and digital temperature-humidity sensor SHT75 are used as the basic meteorological parameter detection devices. The core processer was used to control the real-time sampling of ADC AD7608 and to acquire the serial output data of SHT75. The data was stored in the BRAM of XC6SLX16 and used to generate standard meteorological parameters in NEMA format. The whole design was based on Altium hardware platform and ISE software platform. The system was described in the VHDL language and schematic diagram to realize the correct detection of temperature, humidity, air pressure. The 8-channel synchronous sampling characteristics of AD7608 and programmable external resources of FPGA laid the foundation for the increasing of analog or digital meteorological element signal. The designed meteorological data acquisition system featured low cost, high performance, multiple expansions.

Development of ternary alloy cathode catalysts for phosphoric acid fuel cells: Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jalan, V.; Kosek, J.; Giner, J.

The overall objective of the program was the identification development and incorporation of high activity platinum ternary alloys on corrosion resistant supports, for use in advanced phosphoric acid fuel cells. Two high activity ternary alloys, Pr-Cr-Ce and Pt-Ni-Co, both supported on Vulcan XC-72, were identified during the course of the program. The Pr-Ni-Co system was selected for optimization, including preparation and evaluation on corrosion resistant supports such as 2700/degree/C heat-treated Vulcan XC-72 and 2700/degree/ heat-treated Black Pearls 2000. A series of tests identified optimum metal ratios, heat-treatment temperatures and heat-treatment atmospheres for the Pr-Ni-Co system. During characterization testing, it wasmore » discovered that approximately 50% of the nickel and cobalt present in the starting material could be removed, subsequent to alloy formation, without degrading performance. Extremely stable full cell performance was observed for the Pt-Ni-Co system during a 10,000 hour atmosphere pressure life test. Several theories are proposed to explain the enhancement in activity due to alloy formation. Recommendations are made for future research in this area. 62 refs., 23 figs., 27 tabs.« less

Edison - A New Cray Supercomputer Advances Discovery at NERSC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dosanjh, Sudip; Parkinson, Dula; Yelick, Kathy

2014-02-06

When a supercomputing center installs a new system, users are invited to make heavy use of the computer as part of the rigorous testing. In this video, find out what top scientists have discovered using Edison, a Cray XC30 supercomputer, and how NERSC's newest supercomputer will accelerate their future research.

Edison - A New Cray Supercomputer Advances Discovery at NERSC

ScienceCinema

Dosanjh, Sudip; Parkinson, Dula; Yelick, Kathy; Trebotich, David; Broughton, Jeff; Antypas, Katie; Lukic, Zarija, Borrill, Julian; Draney, Brent; Chen, Jackie

2018-01-16

When a supercomputing center installs a new system, users are invited to make heavy use of the computer as part of the rigorous testing. In this video, find out what top scientists have discovered using Edison, a Cray XC30 supercomputer, and how NERSC's newest supercomputer will accelerate their future research.

Surrogate Structures for Computationally Expensive Optimization Problems With CPU-Time Correlated Functions

DTIC Science & Technology

2007-06-01

xc)−∇2g(x̃c)](x− xc). The second transformation is a space mapping function P that handles the change in variable dimensions (see Bandler et al. [11...17(2):188–217, 2004. 11. Bandler, J. W., Q. Cheng, S. Dakroury, A. S. Mohamed, M.H. Bakr, K. Madsen, J. Søndergaard. “ Space Mapping : The State of

In vitro and in vivo comparison of optics and performance of a distal sensor ureteroscope versus a standard fiberoptic ureteroscope.

PubMed

Lusch, Achim; Abdelshehid, Corollos; Hidas, Guy; Osann, Kathryn E; Okhunov, Zhamshid; McDougall, Elspeth; Landman, Jaime

2013-07-01

Recent advances in distal sensor technologies have made distal sensor ureteroscopes both commercially and technically feasible. We evaluated performance characteristics and optics of a new generation distal sensor Flex-X(C) (X(C)) and a standard flexible fiberoptic ureteroscope Flex-X(2) (X(2)), both from Karl Storz, Tuttlingen, Germany. The ureteroscopes were compared for active deflection, irrigation flow, and optical characteristics. Each ureteroscope was evaluated with an empty working channel and with various accessories. Optical characteristics (resolution, grayscale imaging, and color representation) were measured using United States Air Force test targets. We digitally recorded a renal porcine ureteroscopy and laser ablation of a stone with the X(2) and with the X(C). Edited footage of the recorded procedure was shown to different expert surgeons (n=8) on a high-definition monitor for evaluation by questionnaire for image quality and performance. The X(C) had a higher resolution than the X(2) at 20 and 10 mm 3.17 lines/mm vs 1.41 lines/mm, 10.1 vs 3.56, respectively (P=0.003, P=0.002). Color representation was better in the X(C). There was no difference in contrast quality between the two ureteroscopes. For each individual ureteroscope, the upward deflection was greater than the downward deflection both with and without accessories. When compared with the X(2), the X(C) manifested superior deflection and flow (P<0.0005, P<0.05) with and without accessory present in the working channel. Observers deemed the distal sensor ureteroscope superior in visualization in clear and bloody fields, as well as for illumination (P=0.0005, P=0.002, P=0.0125). In this in vitro and porcine evaluation, the distal sensor ureteroscope provided significantly improved resolution, color representation, and visualization in the upper urinary tract compared with a standard fiberoptic ureteroscope. The overall deflection was also better in the X(C), and deflection as well as flow rate was less impaired by the various accessories.

Bioimpedance Identifies Body Fluid Loss after Exercise in the Heat: A Pilot Study with Body Cooling

PubMed Central

Gatterer, Hannes; Schenk, Kai; Laninschegg, Lisa; Schlemmer, Philipp; Lukaski, Henry; Burtscher, Martin

2014-01-01

Purpose Assessment of post-exercise changes in hydration with bioimpedance (BI) is complicated by physiological adaptations that affect resistance (R) and reactance (Xc) values. This study investigated exercise-induced changes in R and Xc, independently and in bioelectrical impedance vector analysis, when factors such as increased skin temperature and blood flow and surface electrolyte accumulation are eliminated with a cold shower. Methods Healthy males (n = 14, 24.1±1.7 yr; height (H): 182.4±5.6 cm, body mass: 72.3±6.3 kg) exercised for 1 hr at a self-rated intensity (15 BORG) in an environmental chamber (33°C and 50% relative humidity), then had a cold shower (15 min). Before the run BI, body mass, hematocrit and Posm were measured. After the shower body mass was measured; BI measurements were performed continuously every 20 minutes until R reached a stable level, then hematocrit and Posm were measured again. Results Compared to pre-trial measurements body mass decreased after the run and Posm, Hct, R/H and Xc/H increased (p<0.05) with a corresponding lengthening of the impedance vector along the major axis of the tolerance ellipse (p<0.001). Changes in Posm were negatively related to changes in body mass (r = −0.564, p = 0.036) and changes in Xc/H (r = −0.577, p = 0.041). Conclusions Present findings showed that after a bout of exercise-induced dehydration followed by cold shower the impedance vector lengthened that indicates fluid loss. Additionally, BI values might be useful to evaluate fluid shifts between compartments as lower intracellular fluid loss (changed Xc/R) indicated greater Posm increase. PMID:25279660

Inelastic cross sections for low-energy electrons in liquid water: exchange and correlation effects.

PubMed

Emfietzoglou, Dimitris; Kyriakou, Ioanna; Garcia-Molina, Rafael; Abril, Isabel; Nikjoo, Hooshang

2013-11-01

Low-energy electrons play a prominent role in radiation therapy and biology as they are the largest contributor to the absorbed dose. However, no tractable theory exists to describe the interaction of low-energy electrons with condensed media. This article presents a new approach to include exchange and correlation (XC) effects in inelastic electron scattering at low energies (below ∼10 keV) in the context of the dielectric theory. Specifically, an optical-data model of the dielectric response function of liquid water is developed that goes beyond the random phase approximation (RPA) by accounting for XC effects using the concept of the many-body local-field correction (LFC). It is shown that the experimental energy-loss-function of liquid water can be reproduced by including into the RPA dispersion relations XC effects (up to second order) calculated in the time-dependent local-density approximation with the addition of phonon-induced broadening in N. D. Mermin's relaxation-time approximation. Additional XC effects related to the incident and/or struck electrons are included by means of the vertex correction calculated by a modified Hubbard formula for the exchange-only LFC. Within the first Born approximation, the present XC corrections cause a significantly larger reduction (∼10-50%) to the inelastic cross section compared to the commonly used Mott and Ochkur approximations, while also yielding much better agreement with the recent experimental data for amorphous ice. The current work offers a manageable, yet rigorous, approach for including non-Born effects in the calculation of inelastic cross sections for low-energy electrons in liquid water, which due to its generality, can be easily extended to other condensed media.

Association between laboratory capacities and world-cup performance in Nordic combined

PubMed Central

Fudel, Ronny; Kocbach, Jan; Moen, Frode; Ettema, Gertjan; Sandbakk, Øyvind

2017-01-01

Background Nordic combined (NC) is an Olympic winter-sport performed as a ski jumping (SJ) event followed by a cross-country (XC) pursuit race employing the skating style. Purpose To elucidate the associations between sport-specific laboratory capacities and SJ, XC skiing, and overall NC performance in a world-cup NC event. Methods Twelve international world-cup NC athletes from 8 nations performed laboratory testing one day prior to participating in a world-cup NC event. Squat jumps and SJ imitations (IMIT) were performed on a three-dimensional force plate, whereas XC skiing-specific physiological characteristics were obtained from roller ski skating tests on a treadmill and an all-out double poling (DP) test. Finally, body composition was measured. Laboratory capacities were correlated against performance in SJ, 10-km XC skiing, and overall NC in the world-cup event. Multiple regression analysis was used to determine the best suited laboratory variables for predicting performance. Results Vertical IMIT velocity together with body-mass provided the best prediction for SJ performance (r2 = 0.70, p<0.01), while body-mass-normalized V˙O2peak and DP power provided the best prediction for XC performance (r2 = 0.68, p<0.05). Body-mass-normalized V˙O2peak was the only significant correlate with overall NC performance (r2 = 0.43, p<0.05) in this competition. Conclusion Overall, the concurrent development of V˙O2peak, upper-body power, and SJ-specific vertical jump capacity while minimizing body-mass within the BMI limit set by FIS should be considered in the seasonal training of NC athletes. PMID:28662163

An ASM/ADM model interface for dynamic plant-wide simulation.

PubMed

Nopens, Ingmar; Batstone, Damien J; Copp, John B; Jeppsson, Ulf; Volcke, Eveline; Alex, Jens; Vanrolleghem, Peter A

2009-04-01

Mathematical modelling has proven to be very useful in process design, operation and optimisation. A recent trend in WWTP modelling is to include the different subunits in so-called plant-wide models rather than focusing on parts of the entire process. One example of a typical plant-wide model is the coupling of an upstream activated sludge plant (including primary settler, and secondary clarifier) to an anaerobic digester for sludge digestion. One of the key challenges when coupling these processes has been the definition of an interface between the well accepted activated sludge model (ASM1) and anaerobic digestion model (ADM1). Current characterisation and interface models have key limitations, the most critical of which is the over-use of X(c) (or lumped complex) variable as a main input to the ADM1. Over-use of X(c) does not allow for variation of degradability, carbon oxidation state or nitrogen content. In addition, achieving a target influent pH through the proper definition of the ionic system can be difficult. In this paper, we define an interface and characterisation model that maps degradable components directly to carbohydrates, proteins and lipids (and their soluble analogues), as well as organic acids, rather than using X(c). While this interface has been designed for use with the Benchmark Simulation Model No. 2 (BSM2), it is widely applicable to ADM1 input characterisation in general. We have demonstrated the model both hypothetically (BSM2), and practically on a full-scale anaerobic digester treating sewage sludge.

Transient traceability analysis of land carbon storage dynamics: procedures and its application to two forest ecosystems

NASA Astrophysics Data System (ADS)

Jiang, L.; Shi, Z.; Xia, J.; Liang, J.; Lu, X.; Wang, Y.; Luo, Y.

2017-12-01

Uptake of anthropogenically emitted carbon (C) dioxide by terrestrial ecosystem is critical for determining future climate. However, Earth system models project large uncertainties in future C storage. To help identify sources of uncertainties in model predictions, this study develops a transient traceability framework to trace components of C storage dynamics. Transient C storage (X) can be decomposed into two components, C storage capacity (Xc) and C storage potential (Xp). Xc is the maximum C amount that an ecosystem can potentially store and Xp represents the internal capacity of an ecosystem to equilibrate C input and output for a network of pools. Xc is co-determined by net primary production (NPP) and residence time (𝜏N), with the latter being determined by allocation coefficients, transfer coefficients, environmental scalar, and exit rate. Xp is the product of redistribution matrix (𝜏ch) and net ecosystem exchange. We applied this framework to two contrasting ecosystems, Duke Forest and Harvard Forest with an ecosystem model. This framework helps identify the mechanisms underlying the responses of carbon cycling in the two forests to climate change. The temporal trajectories of X are similar between the two ecosystems. Using this framework, we found that two different mechanisms leading to the similar trajectory. This framework has potential to reveal mechanisms behind transient C storage in response to various global change factors. It can also identify sources of uncertainties in predicted transient C storage across models and can therefore be useful for model intercomparison.

A leap forward with UTK s Cray XC30

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fahey, Mark R

2014-01-01

This paper shows a significant productivity leap for several science groups and the accomplishments they have made to date on Darter - a Cray XC30 at the University of Tennessee Knoxville. The increased productivity is due to faster processors and interconnect combined in a new generation from Cray, and yet it still has a very similar programming environment as compared to previous generations of Cray machines that makes porting easy.

The energy gap in a-Si 1 - xC g: H alloys

NASA Astrophysics Data System (ADS)

Valladares, Ariel A.; Valladares, Alexander; Enrique Sansores, L.; Nelis, Mary Ann Me

1997-02-01

The electronic structure of amorphous tetrahedral clusters of the type a-Si 1 - xC g: H are studied using the pseudopotential SCF Hartree-Fock approximation. The reduced energy gap isgiven by Egr( x) - 1 + 0.84 x for x ⩽ 0.5, whereas experimentally Egr( x) = 1 + 0.96 x. For x ⩾ 0.5 the dip in the gap value reported experimentally is verified.

Morphological and molecular characterization of yellow oyster mushroom, Pleurotus citrinopileatus, hybrids obtained by interspecies mating.

PubMed

Rosnina, A G; Tan, Yee Shin; Abdullah, Noorlidah; Vikineswary, S

2016-02-01

Pleurotus citrinopileatus (yellow oyster mushroom) has an attractive shape and yellow colour but the fragile texture complicates packaging, and its strong aroma is unappealing to consumers. This study aimed to improve the characteristics and yield of P. citrinopileatus by interspecies mating between monokaryotic cultures of P. citrinopileatus and P. pulmonarius. Ten monokaryon cultures of the parental lines were crossed in all combinations to obtain hybrids. Eleven compatible mating pairs were obtained and cultivated to observe their sporophore morphology and yield. The selected hybrid, i.e. P1xC9, was beige in colour while hybrid P3xC8 was yellow in colour. Their sporophores had less offensive aroma, improved texture and higher yield. The DNA sequences of these hybrids were found to be in the same clade as the P. citrinopileatus parent with a bootstrap value of 99%. High bootstrap values indicate high genetic homology between hybrids and the P. citrinopileatus parent. The biological efficiencies of these hybrids P1xC9 (70.97%) and P3xC8 (52.14%) were also higher than the P. citrinopileatus parent (35.63%). Interspecies hybrids obtained by this mating technique can lead to better strains of mushrooms for genetic improvement of the Pleurotus species.

Tuning HDF5 subfiling performance on parallel file systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Byna, Suren; Chaarawi, Mohamad; Koziol, Quincey

Subfiling is a technique used on parallel file systems to reduce locking and contention issues when multiple compute nodes interact with the same storage target node. Subfiling provides a compromise between the single shared file approach that instigates the lock contention problems on parallel file systems and having one file per process, which results in generating a massive and unmanageable number of files. In this paper, we evaluate and tune the performance of recently implemented subfiling feature in HDF5. In specific, we explain the implementation strategy of subfiling feature in HDF5, provide examples of using the feature, and evaluate andmore » tune parallel I/O performance of this feature with parallel file systems of the Cray XC40 system at NERSC (Cori) that include a burst buffer storage and a Lustre disk-based storage. We also evaluate I/O performance on the Cray XC30 system, Edison, at NERSC. Our results show performance benefits of 1.2X to 6X performance advantage with subfiling compared to writing a single shared HDF5 file. We present our exploration of configurations, such as the number of subfiles and the number of Lustre storage targets to storing files, as optimization parameters to obtain superior I/O performance. Based on this exploration, we discuss recommendations for achieving good I/O performance as well as limitations with using the subfiling feature.« less

Development of a DOI PET Detector Having the Structure of the X'tal Cube Extended in One Direction

NASA Astrophysics Data System (ADS)

Inadama, Naoko; Hirano, Yoshiyuki; Nishikido, Fumihiko; Murayama, Hideo; Yamaya, Taiga

2016-10-01

X'tal cube is the cubic depth of interaction (DOI) PET detector which our research group developed. In this work, aiming to get higher sensitivity, we developed the long rectangular shape X'tal cube (long-XC) by extending the cubic X'tal cube structure in one direction. We verified performance of this long-XC and also studied detector parameters for optimization. The same as the X'tal cube, the crystal block of the long-XC is composed of a 3D array of cubic scintillation crystal elements. Reflectors are not inserted between these crystal elements. The scintillation light then spreads without being obstructed by reflectors and is detected by multiple numbers of the multi-pixel photon counters (MPPCs) coupled on all six sides of the crystal block. For crystal element identification, a simple Anger-type calculation is used. In this study, we arranged 3.0 mm×3.0 mm×3.0 mm LGSO crystal elements in a 6 × 6 × 14 array for the long-XC. In a previous study, we had already confirmed that for the X'tal cube consisting of a 6 × 6 × 6 array of the same crystal elements and 54 MPPCs, identification of all 216 crystal elements was possible and the average energy resolution for all the elements was about 11 %. The long-XC contains more than twice the number of the crystal elements but less than twice the number of the MPPCs compared to the previous X'tal cube. The detector parameters investigated with the long-XC were: the number of MPPCs on both sides in the extended direction (edge MPPCs); the MPPC type, the MPPCs of 25 μm × 25 μm or 50 μm × 50 μm pixel sizes; the material between the crystal elements, an air gap or an optical glue having a closer refractive index to that of LGSO than air has; and the MPPC signals used in the Anger-type calculation. Results of the crystal element identification performance showed that reducing the number of the edge MPPCs caused performance degradation only at the part near the edge. For the MPPC type, the 50 μm type was better than the 25 μm type, and for the material, air was much better than the optical glue. We found that the choice of MPPC signals for the Anger-type calculation was effective in the optical glue condition. For the long-XC in the air gap condition and using the 50 μm type MPPCs, we observed it had good performance and there was no significant degradation at the central part which is far from the edge MPPCs. For irradiation of 662 keV gamma-rays, we measured approximately 11 - 13 % energy resolution for each crystal element and there was only a small difference in light outputs between crystal elements at the central part and at the edges. These results at the central part suggested the possibility of further extension of the long-XC for higher sensitivity.

Spray Pyrolysis as a Synthetic Tool.

DTIC Science & Technology

1984-11-01

tendency towards insertion into alkyl side chains, this alternative reaction to give oxazolidinones (3) is observed only in a few cases , and then in...dihydrobenzimidazoles and azo-compounds. In some cases , however (X - Ac. COMe. or CN) work-up in methanol solution produces methyl N-arylcarbamates (p-XC*HNH...XC6H4NHCO2Me) are produced. The mechanism of this surprising reaction is discussed. The behaviour of C-(o-azidobenzoyl) derivatives of alkyl ketones and

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kroupa, Daniel M.; Anderson, Nicholas C.; Castaneda, Chloe V.

Here, we employed quantitative NMR spectroscopy and spectrophotometric absorbance titration to study a quantum dot X-type ligand exchange reaction. We find that the exchange is highly cooperative, where at low extents of exchange the change in free energy of the reaction, Δ G XC, is ~11 kJ mol –1 while at higher extents of exchange Δ G XC saturates to ~–4 kJ mol –1. A modified Fowler binding isotherm is developed to describe the reaction.

The ART-XC Instrument on Board the SRG Mission

NASA Technical Reports Server (NTRS)

Pavlinksy, M.; Akimov, V.; Levin, V.; Lapshov, I.; Tkachenko, A.; Semena, N.; Buntov, M.; Glushenko, A.; Arefiev, V.; Yaskovish, A.;

The Marshall Space Flight Center Development of Mirror Modules for the ART-XC Instrument aboard the Spectrum-Roentgen-Gamma Mission

NASA Technical Reports Server (NTRS)

Gubarev, Mikhail V.; Ramsey, B.; ODell, S. L.; Elsner, R.; Kilaru, K.; McCracken, J.; Pavlinsky, M.; Tkachenko, A.; Lapshov, I.

2012-01-01

The Marshall Space Flight Center (MSFC) is developing x-ray mirror modules for the ART-XC instrument on board the Spectrum-Roentgen Gamma Mission under a Reimbursable Agreement between NASA and the Russian Space Research Institute (IKI.) ART-XC will consist of seven co-aligned x-ray mirror modules with seven corresponding CdTe focal plane detectors. Currently, four of the modules are being fabricated by the Marshall Space Flight Center (MSFC.) Each MSFC module consist of 28 nested Ni/Co thin shells giving an effective area of 65 sq cm at 8 keV, response out to 30 keV, and an angular resolution of 45 arcsec or better HPD. Delivery of these modules to the IKI is scheduled for summer 2013. We present a status of the ART x-ray modules development at the MSFC.

Genotype X/C recombinant (putative genotype I) of hepatitis B virus is rare in Hanoi, Vietnam--genotypes B4 and C1 predominate.

PubMed

Phung, Thi Bich Thuy; Alestig, Erik; Nguyen, Thanh Liem; Hannoun, Charles; Lindh, Magnus

2010-08-01

There are eight known genotypes of hepatitis B virus, A-H, and several subgenotypes, with rather well-defined geographic distributions. HBV genotypes were evaluated in 153 serum samples from Hanoi, Vietnam. Of the 87 samples that could be genotyped, genotype B was found in 67 (77%) and genotype C in 19 (22%). All genotype C strains were of subgenotype C1, and the majority of genotype B strains were B4, while a few were B2. The genotype X/C recombinant strain, identified previously in Swedish patients of indigenous Vietnamese origin, was found in one sample. This variant, proposed to be classified as genotype I, has been found recently also by others in Vietnam and Laos. The current study indicates that the genotype X/C recombinant may represent approximately 1% of the HBV strains circulating in Vietnam. (c) 2010 Wiley-Liss, Inc.

The Marshall Space Flight Center development of mirror modules for the ART-XC instrument aboard the Spectrum-Roentgen-Gamma mission

NASA Astrophysics Data System (ADS)

Gubarev, M.; Ramsey, B.; O'Dell, S. L.; Elsner, R.; Kilaru, K.; McCracken, J.; Pavlinsky, M.; Tkachenko, A.; Lapshov, I.

2012-09-01

The Marshall Space Flight Center (MSFC) is developing x-ray mirror modules for the ART-XC instrument on board the Spectrum-Roentgen-Gamma Mission under a Reimbursable Agreement between NASA and the Russian Space Research Institute (IKI.) ART-XC will consist of seven co-aligned x-ray mirror modules with seven corresponding CdTe focal plane detectors. Currently, four of the modules are being fabricated by the Marshall Space Flight Center (MSFC.) Each MSFC module consist of 28 nested Ni/Co thin shells giving an effective area of 65 cm2 at 8 keV, response out to 30 keV, and an angular resolution of 45 arcsec or better HPD. Delivery of these modules to the IKI is scheduled for summer 2013. We present a status of the ART x-ray modules development at the MSFC.

SU-E-T-132: Dosimetric Impact of Positioning Errors in Hypo-Fractionated Cranial Radiation Therapy Using Frameless Stereotactic BrainLAB System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Keeling, V; Jin, H; Ali, I

2014-06-01

Purpose: To determine dosimetric impact of positioning errors in the stereotactic hypo-fractionated treatment of intracranial lesions using 3Dtransaltional and 3D-rotational corrections (6D) frameless BrainLAB ExacTrac X-Ray system. Methods: 20 cranial lesions, treated in 3 or 5 fractions, were selected. An infrared (IR) optical positioning system was employed for initial patient setup followed by stereoscopic kV X-ray radiographs for position verification. 6D-translational and rotational shifts were determined to correct patient position. If these shifts were above tolerance (0.7 mm translational and 1° rotational), corrections were applied and another set of X-rays was taken to verify patient position. Dosimetric impact (D95, Dmin,more » Dmax, and Dmean of planning target volume (PTV) compared to original plans) of positioning errors for initial IR setup (XC: Xray Correction) and post-correction (XV: X-ray Verification) was determined in a treatment planning system using a method proposed by Yue et al. (Med. Phys. 33, 21-31 (2006)) with 3D-translational errors only and 6D-translational and rotational errors. Results: Absolute mean translational errors (±standard deviation) for total 92 fractions (XC/XV) were 0.79±0.88/0.19±0.15 mm (lateral), 1.66±1.71/0.18 ±0.16 mm (longitudinal), 1.95±1.18/0.15±0.14 mm (vertical) and rotational errors were 0.61±0.47/0.17±0.15° (pitch), 0.55±0.49/0.16±0.24° (roll), and 0.68±0.73/0.16±0.15° (yaw). The average changes (loss of coverage) in D95, Dmin, Dmax, and Dmean were 4.5±7.3/0.1±0.2%, 17.8±22.5/1.1±2.5%, 0.4±1.4/0.1±0.3%, and 0.9±1.7/0.0±0.1% using 6Dshifts and 3.1±5.5/0.0±0.1%, 14.2±20.3/0.8±1.7%, 0.0±1.2/0.1±0.3%, and 0.7±1.4/0.0±0.1% using 3D-translational shifts only. The setup corrections (XC-XV) improved the PTV coverage by 4.4±7.3% (D95) and 16.7±23.5% (Dmin) using 6D adjustment. Strong correlations were observed between translation errors and deviations in dose coverage for XC. Conclusion: The initial BrainLAB IR system based on rigidity of the mask-frame setup is not sufficient for accurate stereotactic positioning; however, with X-ray imageguidance sub-millimeter accuracy is achieved with negligible deviations in dose coverage. The angular corrections (mean angle summation=1.84°) are important and cause considerable deviations in dose coverage.« less

Facial emotion recognition system for autistic children: a feasible study based on FPGA implementation.

PubMed

Smitha, K G; Vinod, A P

2015-11-01

Children with autism spectrum disorder have difficulty in understanding the emotional and mental states from the facial expressions of the people they interact. The inability to understand other people's emotions will hinder their interpersonal communication. Though many facial emotion recognition algorithms have been proposed in the literature, they are mainly intended for processing by a personal computer, which limits their usability in on-the-move applications where portability is desired. The portability of the system will ensure ease of use and real-time emotion recognition and that will aid for immediate feedback while communicating with caretakers. Principal component analysis (PCA) has been identified as the least complex feature extraction algorithm to be implemented in hardware. In this paper, we present a detailed study of the implementation of serial and parallel implementation of PCA in order to identify the most feasible method for realization of a portable emotion detector for autistic children. The proposed emotion recognizer architectures are implemented on Virtex 7 XC7VX330T FFG1761-3 FPGA. We achieved 82.3% detection accuracy for a word length of 8 bits.

Stationary Digital Tomosynthesis System for Early Detection of Breast Tumors

DTIC Science & Technology

2012-05-01

Vol. 5745. 2005. 14. Y. Zhang, et al., A comparative study of limited-angle cone-beam reconstruction methods 505 for breast tomosynthesis. Med...opening angl em integratio designed line nia Dimension determine the try calibration th the detector ain is sent fro between XC urce not fou here...screening mammography. AJR, 2007. 189: p. 616. 12. P. Baldelli, et al., A prototype of a quasi-monochromatic system for mammography applications . Phys

The Implementation of a Plant and Minor Property Accounting System for the Naval Postgraduate School.

DTIC Science & Technology

1987-09-01

Autmatic Data Processing iquipment CPU Central Procesing Unit DSA Date lase Administrator USU Data "aso Management system D&XC Defense Automation...ground? -How big is a certain piece of plant property (e.g., for shipment)? 2. Nxnected Data Base Volume The current inventory of NPS plant property...System, Automated Data TU I. 89aom so fg o - e In October 136 the aval Postgraduate School was directed to centralize the accounting and control of

Spin and orbital disordering by hole doping in P r1 -xC axV O3

NASA Astrophysics Data System (ADS)

Reehuis, M.; Ulrich, C.; Abdala, P. M.; Pattison, P.; Khaliullin, G.; Fujioka, J.; Miyasaka, S.; Tokura, Y.; Keimer, B.

2016-09-01

High-resolution powder x-ray diffraction and single-crystal neutron diffraction were used to investigate the crystal structure and magnetic ordering of the compound P r1 -xC axV O3 (0 ≤x ≤0.3 ), which undergoes an insulator-to-metal transition for x ˜0.23 . Since the ionic radii of P r3 + and C a2 + are almost identical and structural disorder is minimal, P r1 -xC axV O3 is a good model system for the influence of hole doping on the spin and orbital correlations in transition metal oxides. The end member PrV O3 is a Mott-Hubbard insulator, which exhibits a structural phase transition at TS=180 K from an orthorhombic to a monoclinic structure with space groups Pbnm and P 21/b , respectively. This transition is associated with the onset of orbital ordering and strong Jahn-Teller distortions of the V O6 octahedra. Antiferromagnetic C -type order with vanadium moments oriented in the a b plane is observed below TN=140 K . Upon cooling, the vanadium moments induce a progressive magnetic polarization of the praseodymium sublattice, resulting in a ferrimagnetic structure with coexisting modes (Cx, Fy) and (Fx, Cy). In the insulating range of the P r1 -xC axV O3 phase diagram, Ca doping reduces both the orbital and magnetic transition temperatures so that TS=108 K and TN=95 K for x =0.20 . The Jahn-Teller distortions and ordered vanadium moments also decrease upon doping. In a metallic sample with x =0.30 , Jahn-Teller distortions and long-range orbital ordering are no longer observable, and the average crystal structure remains orthorhombic down to low temperature. However, broadening of some lattice Bragg reflections indicate a significant increase in lattice strain. Antiferromagnetic short-range order with a weak ordered moment of 0.14(3) μB per vanadium atom could still be observed on the vanadium site below T ˜60 K . We discuss these observations in terms of doping-induced spin-orbital polaron formation.

True detection limits in an experimental linearly heteroscedastic system. Part 1

NASA Astrophysics Data System (ADS)

Voigtman, Edward; Abraham, Kevin T.

2011-11-01

Using a lab-constructed laser-excited filter fluorimeter deliberately designed to exhibit linearly heteroscedastic, additive Gaussian noise, it has been shown that accurate estimates may be made of the true theoretical Currie decision levels ( YC and XC) and true Currie detection limits ( YD and XD) for the detection of rhodamine 6 G tetrafluoroborate in ethanol. The obtained experimental values, for 5% probability of false positives and 5% probability of false negatives, were YC = 56.1 mV, YD = 125. mV, XC = 0.132 μg /mL and XD = 0.294 μg /mL. For 5% probability of false positives and 1% probability of false negatives, the obtained detection limits were YD = 158. mV and XD = 0.372 μg /mL. These decision levels and corresponding detection limits were shown to pass the ultimate test: they resulted in observed probabilities of false positives and false negatives that were statistically equivalent to the a priori specified values.

Invasion of human aortic endothelial cells by oral viridans group streptococci and induction of inflammatory cytokine production.

PubMed

Nagata, E; de Toledo, A; Oho, T

2011-02-01

Oral viridans group streptococci are the major commensal bacteria of the supragingival oral biofilm and have been detected in human atheromatous plaque. Atherosclerosis involves an ongoing inflammatory response, reportedly involving chronic infection caused by multiple pathogens. The aim of this study was to examine the invasion of human aortic endothelial cells (HAECs) by oral viridans group streptococci and the subsequent cytokine production by viable invaded HAECs. The invasion of HAECs by bacteria was examined using antibiotic protection assays and was visualized by confocal scanning laser microscopy. The inhibitory effects of catalase and cytochalasin D on the invasion of HAECs were also examined. The production of cytokines by invaded or infected HAECs was determined using enzyme-linked immunosorbent assays, and a real-time polymerase chain reaction method was used to evaluate the expression of cytokine messenger RNA. The oral streptococci tested were capable of invading HAECs. The number of invasive bacteria increased with the length of the co-culture period. After a certain co-culture period, some organisms were cytotoxic to the HAECs. Catalase and cytochalasin D inhibited the invasion of HAECs by the organism. HAECs invaded by Streptococcus mutans Xc, Streptococcus gordonii DL1 (Challis), Streptococcus gordonii ATCC 10558 and Streptococcus salivarius ATCC 13419 produced more cytokine(s) (interleukin-6, interleukin-8, monocyte chemoattractant protein-1) than non-invaded HAECs. The HAECs invaded by S. mutans Xc produced the largest amounts of cytokines, and the messenger RNA expression of cytokines by invaded HAECs increased markedly compared with that by non-invaded HAECs. These results suggest that oral streptococci may participate in the pathogenesis of atherosclerosis. © 2010 John Wiley & Sons A/S.

Modeling the human body shape in bioimpedance vector measurements.

PubMed

Kim, Chul-Hyun; Park, Jae-Hyeon; Kim, Hyeoijin; Chung, Sochung; Park, Seung-Hun

2010-01-01

Human body shape, called somatotype, has described physique of humans in health and sports applications, relating anthropometric measurements to fatness, muscularity and linearity in a structured way. Here we propose a new method based on bioelectric impedance vector analysis (BIVA) of R/H and Xc/H to represent the cross-sectional area and the body cell mass in a given surface area (m(2)) respectively. Data from six gymnasts, ten dancers, and five fashion models, groups whose physiques and BMI ranges were distinct from one another, were measured for somatotype and BIVA. The models had highest values of the R/H and gymnasts the lowest. Xc/H was lower in models than in the dancers and gymnasts (p < 0.05). Phase angle was lowest in the models and highest in gymnasts significantly (p < 0.05). Pattern analysis from BIVA corresponded to the calculated anthropometric somatotype supporting the hypothesis that BIA's resistance (R) and reactance (Xc) are meaningful discriminates of body size and function which relate to physique in a purposive way.

Development of Fast and Reliable Free-Energy Density Functional Methods for Simulations of Dense Plasmas from Cold- to Hot-Temperature Regimes

NASA Astrophysics Data System (ADS)

Karasiev, V. V.

2017-10-01

Free-energy density functional theory (DFT) is one of the standard tools in high-energy-density physics used to determine the fundamental properties of dense plasmas, especially in cold and warm regimes when quantum effects are essential. DFT is usually implemented via the orbital-dependent Kohn-Sham (KS) procedure. There are two challenges of conventional implementation: (1) KS computational cost becomes prohibitively expensive at high temperatures; and (2) ground-state exchange-correlation (XC) functionals do not take into account the XC thermal effects. This talk will address both challenges and report details of the formal development of new generalized gradient approximation (GGA) XC free-energy functional which bridges low-temperature (ground state) and high-temperature (plasma) limits. Recent progress on development of functionals for orbital-free DFT as a way to address the second challenge will also be discussed. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944.

Inclusive J / $$\\psi$$ Production at D0

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murphy, Christopher R.

1995-04-01

We present results on inclusivemore » $$J/\\psi$$ and b-quark production in $$p\\bar{p}$$ collisions at $$\\sqrt{s}$$ = 1.8 TeV. The results are based on data collected at the D0 experiment during the 1992-1993 FermiLab collider run. There is excellent agreement between the differential $$J/\\psi$$ cross section measured at D0 and that measured at the CDF detector. A measurement of the fraction of $$J/\\psi$$ events due to b-quark decays is presented and we extract from this a measurement of the integrated b-quark cross section. The radiative decays of $$_{Xc}$$ charmonium states into the $$J/\\psi$$ is discussed and we present results on the fraction of $$J/\\psi$$ mesons that are due to $$_{Xc}$$ decays. We also observe that a fraction of promptly produced $$J/\\psi$$ mesons is larger than the measured fraction of $$J/\\psi$$ due to $$_{Xc}$$ decays and is not accounted for by existing charmonium. production models.« less

An Investigation of Stress Dependent Atomic Oxygen Erosion of Black Kapton Observed on MISSE 6

NASA Astrophysics Data System (ADS)

Miller, Sharon K. R.; Banks, Bruce A.; Sechkar, Edward

Black Kapton XC polyimide was flown as part of the Polymer Film Tensile Experiment (PFTE) on Materials International Space Station Experiment 6 (MISSE 6). The purpose of the experiment was to expose a variety of polymer films, typical of those used for thermal control blankets or supporting membranes on Earth orbiting spacecraft, to the low Earth orbital (LEO) environment under both relaxed and tension conditions. Black Kapton XC under tensile stress experienced a higher erosion rate during exposure in LEO than the same material that was flown in a relaxed condition. Testing conducted to determine the magnitude of the stress and erosion dependence using a ground-based thermal energy atomic oxygen plasma showed a slight dependence of erosion yield on stress for Kapton HN and Black Kapton XC, but not to the extent observed on MISSE 6. More testing is needed to isolate the factors present in LEO that cause stress dependent erosion.

Development of Mirror Modules for the ART-XC Instrument aboard the Spectrum-Roentgen-Gamma Mission

NASA Technical Reports Server (NTRS)

Gubarev, M; Ramsey, B.; O'Dell, S. L.; Elsner, R.; Kilaru, K.; McCracken, J.; Pavlinsky, M.; Tkachenko, A.; Lapshov, I.; Atkins, C.;

An Investigation of Stress Dependent Atomic Oxygen Erosion of Black Kapton Observed on MISSE 6

NASA Technical Reports Server (NTRS)

Miller, Sharon K. R.; Banks, Bruce A.; Sechkar, Edward

2012-01-01

Black Kapton XC polyimide was flown as part of the Polymer Film Tensile Experiment (PFTE) on Materials International Space Station Experiment 6 (MISSE 6). The purpose of the experiment was to expose a variety of polymer films, typical of those used for thermal control blankets or supporting membranes on Earth orbiting spacecraft, to the low Earth orbital (LEO) environment under both relaxed and tension conditions. Black Kapton XC under tensile stress experienced a higher erosion rate during exposure in LEO than the same material that was flown in a relaxed condition. Testing conducted to determine the magnitude of the stress and erosion dependence using a ground-based thermal energy atomic oxygen plasma showed a slight dependence of erosion yield on stress for Kapton HN and Black Kapton XC, but not to the extent observed on MISSE 6. More testing is needed to isolate the factors present in LEO that cause stress dependent erosion.

Development of mirror modules for the ART-XC instrument aboard the Spectrum-Roentgen-Gamma mission

NASA Astrophysics Data System (ADS)

Gubarev, M.; Ramsey, B.; O'Dell, S. L.; Elsner, R.; Kilaru, K.; McCracken, J.; Pavlinsky, M.; Tkachenko, A.; Lapshov, I.; Atkins, C.; Zavlin, V.

2013-09-01

The Marshall Space Flight Center (MSFC) is developing x-ray mirror modules for the ART-XC instrument on board the Spectrum-Roentgen Gamma Mission. Four of those modules are being fabricated under a Reimbursable Agreement between NASA and the Russian Space Research Institute (IKI.) An additional three flight modules and one spare for the ART-XC Instrument are produced under a Cooperative Agreement between NASA and IKI. The instrument will consist of seven co-aligned x-ray mirror modules with seven corresponding CdTe focal plane detectors. Each module consists of 28 nested thin Ni/Co shells giving an effective area of 65 cm2 at 8 keV, response out to 30 keV, and an angular resolution of 45 arcsec or better HPD. Delivery of the first four modules is scheduled for November 2013, while the remaining three modules will be delivered to IKI in January 2014. We present a status of the ART x-ray module development at MSFC.

Virtex-II Pro SEE Test Methods and Results

NASA Technical Reports Server (NTRS)

Petrick, David; Powell, Wesley; Howard, James W., Jr.; LaBel, Kenneth A.

2004-01-01

The objective of this coarse Single Event Effect (SEE) test is to determine the suitability of the commercial Virtex-II Pro family for use in spaceflight applications. To this end, this test is primarily intended to determine any Singe Event Latchup (SEL) susceptibilities for these devices. Secondly, this test is intended to measure the level of Single Event Upset (SEU) susceptibilities and in a general sense where they occur. The coarse SEE test was performed on a commercial XC2VP7 device, a relatively small single processor version of the Virtex-II Pro. As the XC2VP7 shares the same functional block design and fabrication process with the larger Virtex-II Pro devices, the results of this test should also be applicable to the larger devices. The XC2VP7 device was tested on a commercial Virtex-II Pro development board. The testing was performed at the Cyclotron laboratories at Texas A&M and Michigan State Universities using ions of varying energy levels and fluences.

The effect of aging on pacing strategies of cross-country skiers and the role of performance level.

PubMed

Nikolaidis, Pantelis Theodoros; Villiger, Elias; Rosemann, Thomas; Knechtle, Beat

2018-01-01

The participation of master cross-country (XC) skiers in training and competition has increased during the last decades; however, little is known yet about whether these athletes differ from their younger counterparts in aspects of performance such as pacing. Therefore, the aim of the present study was to examine the combined effect of age and performance (race time) on pacing in cross-country (XC) skiing. We analyzed all finishers ( n  = 79,722) in 'Vasaloppet' from 2012 to 2017, the largest cross-country skiing race in the world, classified according to their race time into 10 groups: 3-4 h, 4-5 h, ..., 12-13 h. A trivial main effect of sex on total pace range was observed ( p  < 0.001, η 2  = 0.002), where women (44.1 ± 10.2%) had larger total pace range than men (40.9 ± 11.8%). A large main effect of performance group on total pace range was shown ( p  < 0.001, η 2  = 0.160), where the smallest total pace range was 21.8 ± 1.9% (3-4 h group) and the largest 50.1 ± 9.9% (10-11 h group). A trivial sex×performance group interaction on total pace range was found ( p  < 0.001, η 2  = 0.001) with the largest sex difference in pacing shown in 9-10 h group. A trivial and small main effect of age was found in women ( p  < 0.001, η 2  = 0.005) and men ( p  < 0.001, η 2  = 0.011), respectively, where the masters had smaller total pace range than their younger counterparts. A trivial age group×performance group interaction on total pace range was observed in both women ( p  < 0.001, η 2  = 0.008) and men ( p  < 0.001, η 2  = 0.006) with smaller differences among age groups in the faster performance groups. In summary, master XC skiers adopted a relatively even pacing independently from their race time and the differences in pacing from the younger XC skiers were more pronounced in the slower masters. These findings suggest that exercise attenuates the decline of performance in master XC skiers as shown by the similar pacing strategies between fast master XC skiers and their younger counterparts.

Reactive oxygen species-mediated therapeutic response and resistance in glioblastoma

PubMed Central

Singer, E; Judkins, J; Salomonis, N; Matlaf, L; Soteropoulos, P; McAllister, S; Soroceanu, L

2015-01-01

Glioblastoma (GBM) resistance to therapy is the most common cause of tumor recurrence, which is ultimately fatal in 90% of the patients 5 years after initial diagnosis. A sub-population of tumor cells with stem-like properties, glioma stem cells (GSCs), is specifically endowed to resist or adapt to the standard therapies, leading to therapeutic resistance. Several anticancer agents, collectively termed redox therapeutics, act by increasing intracellular levels of reactive oxygen species (ROS). In this study, we investigated mechanisms underlying GSC response and resistance to cannabidiol (CBD), a non-toxic, non-psychoactive cannabinoid and redox modulator. Using primary GSCs, we showed that CBD induced a robust increase in ROS, which led to the inhibition of cell survival, phosphorylated (p)-AKT, self-renewal and a significant increase in the survival of GSC-bearing mice. Inhibition of self-renewal was mediated by the activation of the p-p38 pathway and downregulation of key stem cell regulators Sox2, Id1 and p-STAT3. Following CBD treatment, a subset of GSC successfully adapted, leading to tumor regrowth. Microarray, Taqman and functional assays revealed that therapeutic resistance was mediated by enhanced expression of the antioxidant response system Xc catalytic subunit xCT (SLC7A11 (solute carrier family 7 (anionic amino-acid transporter light chain), member 11)) and ROS-dependent upregulation of mesenchymal (MES) markers with concomitant downregulation of proneural (PN) markers, also known as PN–MES transition. This ‘reprogramming' of GSCs occurred in culture and in vivo and was partially due to activation of the NFE2L2 (NRF2 (nuclear factor, erythroid 2-like)) transcriptional network. Using genetic knockdown and pharmacological inhibitors of SLC7A11, we demonstrated that combining CBD treatment with the inhibition of system Xc resulted in synergistic ROS increase leading to robust antitumor effects, that is, decreased GSC survival, self-renewal, and invasion. Our investigation provides novel mechanistic insights into the antitumor activity of redox therapeutics and suggests that combinatorial approaches using small molecule modulators of ROS offer therapeutic benefits in GBM. PMID:25590811

Exploiting Thread Parallelism for Ocean Modeling on Cray XC Supercomputers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarje, Abhinav; Jacobsen, Douglas W.; Williams, Samuel W.

The incorporation of increasing core counts in modern processors used to build state-of-the-art supercomputers is driving application development towards exploitation of thread parallelism, in addition to distributed memory parallelism, with the goal of delivering efficient high-performance codes. In this work we describe the exploitation of threading and our experiences with it with respect to a real-world ocean modeling application code, MPAS-Ocean. We present detailed performance analysis and comparisons of various approaches and configurations for threading on the Cray XC series supercomputers.

Flyover noise characteristics of a tilt-wing V/STOL aircraft (XC-142A)

NASA Technical Reports Server (NTRS)

Pegg, R. J.; Henderson, H. R.; Hilton, D. A.

1974-01-01

A field noise measurement investigation was conducted during the flight testing of an XC-142A tilt-wing V/STOL aircraft to define its external noise characteristics. Measured time histories of overall sound pressure level show that noise levels are higher at lower airspeeds and decrease with increased speed up to approximately 160 knots. The primary noise sources were the four high-speed, main propellers. Flyover-noise time histories calculated by existing techniques for propeller noise prediction are in reasonable agreement with the experimental data.

In situ spectroscopic characterization of a solution-phase X-type ligand exchange at colloidal lead sulphide quantum dot surfaces

DOE PAGES

Kroupa, Daniel M.; Anderson, Nicholas C.; Castaneda, Chloe V.; ...

2016-11-07

Here, we employed quantitative NMR spectroscopy and spectrophotometric absorbance titration to study a quantum dot X-type ligand exchange reaction. We find that the exchange is highly cooperative, where at low extents of exchange the change in free energy of the reaction, Δ G XC, is ~11 kJ mol –1 while at higher extents of exchange Δ G XC saturates to ~–4 kJ mol –1. A modified Fowler binding isotherm is developed to describe the reaction.

Anomalous atomic displacement parameters and local dynamics in the Curie range of a Pb-free relaxor ferroelectric system (Bi1-xBax)(Fe1-xTix)O3(0.36 ≤ x ≤ 0.50)

NASA Astrophysics Data System (ADS)

Singh, Anar; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Pandey, Dhananjai

2018-04-01

We report here the relaxor ferroelectric (RFE) behaviour in a multiferroic solid solution system, (Bi1-xBax)(Fe1-xTix)O3, at a critical disorder level of xC ˜ 0.35 in BiFeO3 and 0.65 (i.e., 1-xC = 0.35) in BaTiO3 similar to the 1:2 ratio of Mg2+ and Nb5+ in the canonical RFE Pb(Mg1/3Nb2/3)O3. This Pb-free system, like canonical Pb-based RFEs, does not exhibit macroscopic symmetry breaking and shows only the signatures of ergodicity breaking at Vogel-Fulcher freezing temperature (TVF). The atomic displacement parameters (ADPs) of Fe3+/Ti4+ and O2-, obtained using high wave vector (Q) and high-resolution synchrotron x-ray diffraction data as a function of temperature, show anomalous diffuse peaks in the Curie range. It is shown that the diffuse peak in ADPs is due to softening of the vibrational frequencies of the B-O chain (B = Fe3+/Ti4+ and O = O2-) below the Burns temperature (TB) followed by hardening below the characteristic temperature (T'm), which corresponds to a peak in the dielectric permittivity (ɛ').

A behavior-oriented dynamic model for sandbar migration and 2DH evolution

USGS Publications Warehouse

Splinter, K.D.; Holman, R.A.; Plant, N.G.

2011-01-01

A nonlinear model is developed to study the time-dependent relationship between the alongshore variability of a sandbar, a(t), and alongshore-averaged sandbar position, xc(t). Sediment transport equations are derived from energetics-based formulations. A link between this continuous physical representation and a parametric form describing the migration of sandbars of constant shape is established through a simple transformation of variables. The model is driven by offshore wave conditions. The parametric equations are dynamically coupled such that changes in one term (i.e., xc) drive changes in the other (i.e., a(t)). The model is tested on 566 days of data from Palm Beach, New South Wales, Australia. Using weighted nonlinear least squares to estimate best fit model coefficients, the model explained 49% and 41% of the variance in measured xc and a(t), respectively. Comparisons against a 1-D horizontal (1DH) version of the model showed significant improvements when the 2DH terms were included (1DH and 2DH Brier skill scores were -0.12 and 0.42, respectively). Onshore bar migration was not predicted in the 1DH model, while the 2DH model correctly predicted onshore migration in the presence of 2DH morphology and allowed the bar to remain closer to shore for a given amount of breaking, providing an important hysteresis to the system. The model is consistent with observations that active bar migration occurs under breaking waves with onshore migration occurring at timescales of days to weeks and increasing 2DH morphology, while offshore migration occurs rapidly under high waves and coincides with a reduction in 2DH morphology. Copyright ?? 2011 by the American Geophysical Union.

Many-Body Perturbation Theory (MBPT) and Time-Dependent Density-Functional Theory (TD-DFT): MBPT Insights About What Is Missing In, and Corrections To, the TD-DFT Adiabatic Approximation.

PubMed

Casida, Mark E; Huix-Rotllant, Miquel

2016-01-01

In their famous paper, Kohn and Sham formulated a formally exact density-functional theory (DFT) for the ground-state energy and density of a system of N interacting electrons, albeit limited at the time by certain troubling representability questions. As no practical exact form of the exchange-correlation (xc) energy functional was known, the xc-functional had to be approximated, ideally by a local or semilocal functional. Nowadays, however, the realization that Nature is not always so nearsighted has driven us up Perdew's Jacob's ladder to find increasingly nonlocal density/wavefunction hybrid functionals. Time-dependent (TD-) DFT is a younger development which allows DFT concepts to be used to describe the temporal evolution of the density in the presence of a perturbing field. Linear response (LR) theory then allows spectra and other information about excited states to be extracted from TD-DFT. Once again the exact TD-DFT xc-functional must be approximated in practical calculations and this has historically been done using the TD-DFT adiabatic approximation (AA) which is to TD-DFT very similar to what the local density approximation (LDA) is to conventional ground-state DFT. Although some of the recent advances in TD-DFT focus on what can be done within the AA, others explore ways around the AA. After giving an overview of DFT, TD-DFT, and LR-TD-DFT, this chapter focuses on many-body corrections to LR-TD-DFT as one way to build hybrid density-functional/wavefunction methodology for incorporating aspects of nonlocality in time not present in the AA.

ATLAS computing on CSCS HPC

NASA Astrophysics Data System (ADS)

Filipcic, A.; Haug, S.; Hostettler, M.; Walker, R.; Weber, M.

2015-12-01

The Piz Daint Cray XC30 HPC system at CSCS, the Swiss National Supercomputing centre, was the highest ranked European system on TOP500 in 2014, also featuring GPU accelerators. Event generation and detector simulation for the ATLAS experiment have been enabled for this machine. We report on the technical solutions, performance, HPC policy challenges and possible future opportunities for HEP on extreme HPC systems. In particular a custom made integration to the ATLAS job submission system has been developed via the Advanced Resource Connector (ARC) middleware. Furthermore, a partial GPU acceleration of the Geant4 detector simulations has been implemented.

High performance binder-free SiO x/C composite LIB electrode made of SiO x and lignin

DOE PAGES

Chen, Tao; Hu, Jiazhi; Zhang, Long; ...

2017-07-19

A high performance binder-free SiO x/C composite electrode was synthesized by mixing SiO x particles and Kraft lignin in a cryo-mill followed by heat treatment at 600 °C. After the heat treatment, lignin formed a conductive matrix hosting SiO x particles, ensuring electronic conductivity, connectivity, and accommodation of volume changes during lithiation/delithiation. As the result, no conventional binder or conductive agent was necessary. When electrochemically cycled, the composite electrode delivered excellent performance, maintaining ~900 mAh g -1 after 250 cycles at a rate of 200 mA g -1, and good rate capability. The robustness of the electrode was also examinedmore » by post-cycling SEM images, where few cracks were observed. The excellent electrochemical performance can be attributed to the comparatively small volume change of SiO x-based electrodes (160%) and the flexibility of the lignin derived carbon matrix to accommodate the volume change. In conclusion, this work should stimulate further interests in using bio-renewable resources in making advanced electrochemical energy storage systems.« less

Importance of van der Waals interaction on structural, vibrational, and thermodynamic properties of NaCl

NASA Astrophysics Data System (ADS)

Marcondes, Michel L.; Wentzcovitch, Renata M.; Assali, Lucy V. C.

2018-05-01

Thermal equations of state (EOS) are essential in several scientific domains. However, experimental determination of EOS parameters may be limited at extreme conditions, therefore, ab initio calculations have become an important method to obtain them. Density functional theory (DFT) and its extensions with various degrees of approximations for the exchange and correlation (XC) energy is the method of choice, but large errors in the EOS parameters are still common. The alkali halides have been problematic from the onset of this field and the quest for appropriate DFT functionals for such ionic and relatively weakly bonded systems has remained an active topic of research. Here we use DFT + van der Waals functionals to calculate vibrational properties, thermal EOS, thermodynamic properties, and the B1 to B2 phase boundary of NaCl with high precision. Our results reveal a remarkable improvement over the performance of standard local density approximation and generalized gradient approximation functionals for all these properties and phase transition boundary, as well as great sensitivity of anharmonic effects on the choice of XC functional.

Highly active non-PGM catalysts prepared from metal organic frameworks

DOE PAGES

Barkholtz, Heather M.; Chong, Lina; Kaiser, Zachary B.; ...

2015-06-11

Finding inexpensive alternatives to platinum group metals (PGMs) is essential for reducing the cost of proton exchange membrane fuel cells (PEMFCs). Numerous materials have been investigated as potential replacements of Pt, of which the transition metal and nitrogen-doped carbon composites (TM/N x/C) prepared from iron doped zeolitic imidazolate frameworks (ZIFs) are among the most active ones in catalyzing the oxygen reduction reaction based on recent studies. In this report, we demonstrate that the catalytic activity of ZIF-based TM/N x/C composites can be substantially improved through optimization of synthesis and post-treatment processing conditions. Ultimately, oxygen reduction reaction (ORR) electrocatalytic activity mustmore » be demonstrated in membrane-electrode assemblies (MEAs) of fuel cells. The process of preparing MEAs using ZIF-based non-PGM electrocatalysts involves many additional factors which may influence the overall catalytic activity at the fuel cell level. Evaluation of parameters such as catalyst loading and perfluorosulfonic acid ionomer to catalyst ratio were optimized. Our overall efforts to optimize both the catalyst and MEA construction process have yielded impressive ORR activity when tested in a fuel cell system.« less

High performance binder-free SiO x/C composite LIB electrode made of SiO x and lignin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Tao; Hu, Jiazhi; Zhang, Long

A high performance binder-free SiO x/C composite electrode was synthesized by mixing SiO x particles and Kraft lignin in a cryo-mill followed by heat treatment at 600 °C. After the heat treatment, lignin formed a conductive matrix hosting SiO x particles, ensuring electronic conductivity, connectivity, and accommodation of volume changes during lithiation/delithiation. As the result, no conventional binder or conductive agent was necessary. When electrochemically cycled, the composite electrode delivered excellent performance, maintaining ~900 mAh g -1 after 250 cycles at a rate of 200 mA g -1, and good rate capability. The robustness of the electrode was also examinedmore » by post-cycling SEM images, where few cracks were observed. The excellent electrochemical performance can be attributed to the comparatively small volume change of SiO x-based electrodes (160%) and the flexibility of the lignin derived carbon matrix to accommodate the volume change. In conclusion, this work should stimulate further interests in using bio-renewable resources in making advanced electrochemical energy storage systems.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ibrahim, Khaled Z.; Epifanovsky, Evgeny; Williams, Samuel W.

Coupled-cluster methods provide highly accurate models of molecular structure by explicit numerical calculation of tensors representing the correlation between electrons. These calculations are dominated by a sequence of tensor contractions, motivating the development of numerical libraries for such operations. While based on matrix-matrix multiplication, these libraries are specialized to exploit symmetries in the molecular structure and in electronic interactions, and thus reduce the size of the tensor representation and the complexity of contractions. The resulting algorithms are irregular and their parallelization has been previously achieved via the use of dynamic scheduling or specialized data decompositions. We introduce our efforts tomore » extend the Libtensor framework to work in the distributed memory environment in a scalable and energy efficient manner. We achieve up to 240 speedup compared with the best optimized shared memory implementation. We attain scalability to hundreds of thousands of compute cores on three distributed-memory architectures, (Cray XC30&XC40, BlueGene/Q), and on a heterogeneous GPU-CPU system (Cray XK7). As the bottlenecks shift from being compute-bound DGEMM's to communication-bound collectives as the size of the molecular system scales, we adopt two radically different parallelization approaches for handling load-imbalance. Nevertheless, we preserve a uni ed interface to both programming models to maintain the productivity of computational quantum chemists.« less

The performance of Luminex ARIES® Flu A/B & RSV and Cepheid Xpert® Flu/RSV XC for the detection of influenza A, influenza B, and respiratory syncytial virus in prospective patient samples.

PubMed

McMullen, Phillip; Boonlayangoor, Sue; Charnot-Katsikas, Angella; Beavis, Kathleen G; Tesic, Vera

2017-10-01

The demand for rapid, accurate viral testing has increased the number of assays available for the detection of viral pathogens. One of the newest FDA cleared platforms is the Luminex ARIES ® Flu A/B & RSV, which is a fully automated, real-time PCR-based assay used for detection of influenza A, influenza B, and respiratory syncytial virus (RSV). We sought to compare the performance of Luminex ARIES ® Flu A/B & RSV assay to the Cepheid Xpert ® Flu/RSV XC assay for rapid Flu and RSV testing. A series of consecutive nasopharyngeal specimens received in the clinical microbiology laboratory during peak influenza season at a major academic center in Chicago, IL, were prospectively tested, using both the ARIES ® Flu A/B & RSV and Xpert ® Flu/RSV XC assays, side by side. Discrepant results were tested on the BioFire FilmArray ® Respiratory Panel for resolution. A total of 143 consecutive nasopharyngeal specimens, obtained from patients ranging from six months to ninety-three years in age were received between January 1st, 2017 and March 21st, 2017. There was 96.6% agreement between the two assays for detection influenza A, 100% agreement for detection influenza B and RSV, and 98.9% agreement for negative results. The Xpert ® Flu/RSV XC performed with an average turn-around time of approximately 60min, compared to the ARIES ® Flu A/B & RSV of approximately 120min. Both assays were equally easy to perform, with a similar amount of hands-on technologist time for each platform. Overall, these results indicate that both tests are comparable in terms of result agreement and technical ease-of-use. The Xpert ® Flu/RSV XC assay did produce results with less turn-around-time, approximately 60min quicker than the ARIES ® Flu A/B & RSV. Copyright © 2017 Elsevier B.V. All rights reserved.

Synthetic, Infrared, 1Hand 13CNMR Spectral Studies on N-(p-Substituted Phenyl)-p-Substituted Benzenesulphonamides, p-X'C6H4SO2NH- (p-XC6H4), where X' or X = H, CH3, C2H5, F, Cl or Br

NASA Astrophysics Data System (ADS)

Gowda, B. Thimme; Jayalakshmi, K. L.; Shetty, Mahesha

2004-05-01

Thirty N-(p-substituted phenyl)-p-substituted benzenesulphonamides of the general formula, p-X'C6H4SO2NH(p-XC6H4), where X' or X = H, CH3, C2H5, F, Cl or Br, are synthesised and their infrared spectra in the solid state and 1H and 13C NMR spectra in solution are measured. The N-H stretching vibrational frequencies, νN-H vary in the range 3334 - 3219 cm-1, while the asymmetric and symmetric SO2 vibrations appear in the ranges 1377 - 1311 cm-1 and 1182 - 1151 cm-1, respectively. The compounds exhibit S-N and C-N stretching vibrational absorptions in the ranges 937 - 898 cm-1 and 1310 - 1180 cm-1, respectively. There are no particular trends in the variation of these frequencies on substitution with either electron withdrawing or electron donating groups. The 1H and 13C chemical shifts of N-(p-substituted phenyl)-p-substituted benzenesulphonamides, are assigned to various protons and carbons of the two benzene rings. Further, incremental shifts of the ring protons and carbons due to -SO2NH(p-XC6H4) groups in the compounds of the formula, C6H5SO2NH(p-XC6H4), and p-X'C6H4SO2- and p-X'C6H4SO2NH- groups in the compounds of the formula, p-X'C6H4SO2NH(C6H5) are computed and used to calculate the 1H and 13C chemical shifts of the parallely substituted compounds of the general formula p-X'C6H4SO2NH(p-XC6H4). The computed values agree well with the observed chemical shifts. The above incremental shifts are found to correlate with the Hammett substituent parameters.

Experimental and DFT evaluation of the 1H and 13C NMR chemical shifts for calix[4]arenes

NASA Astrophysics Data System (ADS)

Guzzo, Rodrigo N.; Rezende, Michelle Jakeline Cunha; Kartnaller, Vinicius; Carneiro, José Walkimar de M.; Stoyanov, Stanislav R.; Costa, Leonardo Moreira da

2018-04-01

The density functional theory is employed to determine the efficiency of 11 exchange-correlation (XC) functionals to compute the 1H and 13C NMR chemical shifts of p-tert-butylcalix[4]arene (ptcx4, R1 = C(CH3)3) and congeners using the 6-31G(d,p) basis set. The statistical analysis shows that B3LYP, B3PW91 and PBE1PBE are the best XC functionals for the calculation of 1H chemical shifts. Moreover, the best results for the 13C chemical shifts are obtained using the LC-WPBE, M06-2X and wB97X-D functionals. The performance of these XC functionals is tested for three other calix[4]arenes: p-sulfonic acid calix[4]arene (sfxcx4 - R1 = SO3H), p-nitro-calix[4]arene (ncx4, R1 = NO2) and calix[4]arene (cx4 - R1 = H). For 1H chemical shifts B3LYP, B3PW91 and PBE1PBE yield similar results, although B3PW91 shows more consistency in the calculated error for the different structures. For 13C NMR chemical shifts, the XC functional that stood out as best is LC-WPBE. Indeed, the three functionals selected for each of 1H and 13C show good accuracy and can be used in future studies involving the prediction of 1H and 13C chemical shifts for this type of compounds.

Comparison of iridium- and ruthenium-based, Pt-surface-enriched, nanosize catalysts for the oxygen-reduction reaction

NASA Astrophysics Data System (ADS)

Kaplan, D.; Goor, M.; Alon, M.; Tsizin, S.; Burstein, L.; Rosenberg, Y.; Popov, I.; Peled, E.

2016-02-01

Pt-surface-enriched nanosize catalysts (Pt-SENS catalysts) with ruthenium and iridium cores, supported on XC72, were synthesized and characterized. The structure and composition of the catalysts are determined by Energy-Dispersive X-ray Spectroscopy (EDS), X-ray Photoelectron Spectroscopy (XPS), Scanning Transmission Electron Microscopy (STEM) and X-Ray Diffraction (XRD). Electrochemical characterization tests, including oxygen-reduction-catalysis activity and durability studies of catalysts are performed with the use of cyclic-voltammetry and rotating-disk-electrode (RDE) techniques at room temperature. The ORR activity of the homemade catalysts is also compared to ORR activity of commercial 50%Pt/C catalyst. It is determined that the Ir-based catalyst (Pt/Ir/XC72) shows higher ORR activity in terms of A g-1 of Pt (at 0.85 V vs. RHE) than the Ru-based catalyst (Pt/Ru/XC72) and the commercial 50%Pt/C. The Ru-based catalyst shows similar ORR activity in terms of A g-1 of Pt, to that of the commercial 50%Pt/C, but with much lower durability.

Exchange stiffness of Ca-doped YIG

NASA Astrophysics Data System (ADS)

Avgin, I.; Huber, D. L.

1994-05-01

An effective medium theory for the zero-temperature exchange stiffness of uncompensated Ca-doped YIG is presented. The theory is based on the assumption that the effect of the Ca impurities is to produce strong, random ferromagnetic interactions between spins on the a and d sublattices. In the simplest version of the theory, a fraction, x, of the ad exchange integrals are large and positive, x being related to the Ca concentration. The stiffness is calculated as function of x for arbitrary perturbed ad exchange integral, Jxad. For Jxad≳(1/5)‖8Jaa+3Jdd‖, with Jaa and Jdd denoting the aa and dd exchange integrals, respectively, there is a critical concentration, Xc, such that when x≳Xc, the stiffness is complex. It is suggested that Xc delineates the region where there are significant departures from colinearity in the ground state of the Fe spins. Extension of the theory to a model where the Ca doping is assumed to generate Fe4+ ions on the tetrahedral sites is discussed. Possible experimental tests of the theory are mentioned.

Comparison of Cepheid Xpert Flu/RSV XC and BioFire FilmArray for Detection of Influenza A, Influenza B, and Respiratory Syncytial Virus.

PubMed

Wahrenbrock, Mark G; Matushek, Scott; Boonlayangoor, Sue; Tesic, Vera; Beavis, Kathleen G; Charnot-Katsikas, Angella

2016-07-01

The Xpert Flu/RSV XC was compared to the FilmArray respiratory panel for detection of influenza (Flu) A, Flu B, and respiratory syncytial virus (RSV), using 128 nasopharyngeal swabs. Positive agreements were 100% for Flu A and RSV and 92.3% for Flu B. The Xpert may be useful in clinical situations when extensive testing is not required and may serve an important role in laboratories already performing broader respiratory panel testing. Copyright © 2016, American Society for Microbiology. All Rights Reserved.

Maximum-Likelihood Parameter Estimation of a Generalized Gumbel Distribution

DTIC Science & Technology

1989-03-24

Calculate the roots of g(.) and ht .) IERR = 0 CALL R0UTG( XROOT ,YROUT,IEHRJ IF (LERR.NE.0) GOTO 900 Calculate the value of b TEMP1 = OLOG( YROOT) - PSI(YRGOT...TEMP2 = XBAR - XROOT OVAL = TEMP2 / TEMP1 RLAM = XROOT - DSHIF1 ELSE C Scale 8VAL to match HOOTH routine IF (XC(NCL).GT.70.D0) THEN ALPHA - XC NCL...ICNT) 10 CONTINUE RETURN END c C *ROOTG( XROOT ,YROOT,IERR) C 31 Aug 88 C *Res. Dir., C E Hall, Jr. SUBROUTINE ROOTG( XRDOT , ROOT ,IERRJ IMPLICIT DOUBLE

Polarization effects in the elastic scattering of low-energy electrons by XH{sub 4} (X=C, Si, Ge, Sn, Pb)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bettega, M.H.F.; Varella, M.T.N. do; Lima, M.A.P.

2003-07-01

We report integral and differential cross sections for elastic scattering of electrons by XH{sub 4} (X=C, Si, Ge, Sn, Pb) molecules for energies between 3 and 10 eV. We use the Schwinger multichannel method with pseudopotentials [Bettega et al., Phys. Rev. A 47, 1111 (1993)] at the static-exchange and static-exchange plus polarization approximations. We compare our results with available theoretical and experimental results and find very good agreement. In particular, our results show Ramsauer-Towsend minima for all XH{sub 4} molecules.

A pilot's opinion - VTOL control design requirements for the instrument approach task.

NASA Technical Reports Server (NTRS)

Patton, J. M., Jr.

1972-01-01

This paper presents pilot opinion supported by test data concerning flight control and display concepts and control system design requirements for VTOL aircraft in the instrument approach task. Material presented is drawn from research flights in the following aircraft: Dornier DO-31, Short SC-1, LTV XC-142A, and Boeing-Vertol CH-46. The control system concepts and mechanizations employed in the above aircraft are discussed, and the effect of control system augmentation is shown on performance. Operational procedures required in the instrument approach task are described, with comments on need for automation and combining of control functions.

The cystine-glutamate exchanger (xCT, Slc7a11) is expressed in significant concentrations in a subpopulation of astrocytes in the mouse brain.

PubMed

Ottestad-Hansen, Sigrid; Hu, Qiu Xiang; Follin-Arbelet, Virgine Veronique; Bentea, Eduard; Sato, Hideyo; Massie, Ann; Zhou, Yun; Danbolt, Niels Christian

2018-05-01

The cystine-glutamate exchanger (xCT) promotes glutathione synthesis by catalyzing cystine uptake and glutamate release. The released glutamate may modulate normal neural signaling and contribute to excitotoxicity in pathological situations. Uncertainty, however, remains as neither the expression levels nor the distribution of xCT have been unambiguously determined. In fact, xCT has been reported in astrocytes, neurons, oligodendrocytes and microglia, but most of the information derives from cell cultures. Here, we show by immunohistochemistry and by Western blotting that xCT is widely expressed in the central nervous system of both sexes. The labeling specificity was validated using tissue from xCT knockout mice as controls. Astrocytes were selectively labeled, but showed greatly varying labeling intensities. This astroglial heterogeneity resulted in an astrocyte domain-like labeling pattern. Strong xCT labeling was also found in the leptomeninges, along some blood vessels, in selected circumventricular organs and in a subpopulation of tanycytes residing the lateral walls of the ventral third ventricle. Neurons, oligodendrocytes and resting microglia, as well as reactive microglia induced by glutamine synthetase deficiency, were unlabeled. The concentration of xCT protein in hippocampus was compared with that of the EAAT3 glutamate transporter by immunoblotting using a chimeric xCT-EAAT3 protein to normalize xCT and EAAT3 labeling intensities. The immunoblots suggested an xCT/EAAT3 ratio close to one (0.75 ± 0.07; average ± SEM; n = 4) in adult C57BL6 mice. xCT is present in select blood/brain/CSF interface areas and in an astrocyte subpopulation, in sufficient quantities to support the notion that system xc- provides physiologically relevant transport activity. © 2018 Wiley Periodicals, Inc.

The relationship between isotonic plantar flexor endurance, navicular drop, and exercise-related leg pain in a cohort of collegiate cross-country runners.

PubMed

Bennett, Jason E; Reinking, Mark F; Rauh, Mitchell J

2012-06-01

The purpose of this study was to examine the relationships between isotonic ankle plantar flexor endurance (PFE), foot pronation as measured by navicular drop, and exercise-related leg pain (ERLP). Exercise-related leg pain is a common occurrence in competitive and recreational runners. The identification of factors contributing to the development of ERLP may help guide methods for the prevention and management of overuse injuries. Seventy-seven (44 males, 33 females) competitive runners from five collegiate cross-country (XC) teams consented to participate in the study. Isotonic ankle PFE and foot pronation were measured using the standing heel-rise and navicular drop (ND) tests, respectively. Demographic information, anthropometric measurements, and ERLP history were also recorded. Subjects were then prospectively tracked for occurrence of ERLP during the 2009 intercollegiate cross-country season. Multivariate logistic regression analysis was used to examine the relationships between isotonic ankle joint PFE and ND and the occurrence of ERLP. While no significant differences were identified for isotonic ankle PFE between groups of collegiate XC runners with and without ERLP, runners with a ND >10 mm were almost 7 times (OR=6.6, 95% CI=1.2-38.0) more likely to incur medial ERLP than runners with ND <10 mm. Runners with a history of ERLP in the month previous to the start of the XC season were 12 times (OR=12.3, 95% CI=3.1-48.9) more likely to develop an in-season occurrence of ERLP. While PFE did not appear to be a risk factor in the development of ERLP in this group of collegiate XC runners, those with a ND greater than 10 mm may be at greater odds of incurring medial ERLP. 2b.

Identification and characterization of an autolysin-encoding gene of Streptococcus mutans.

PubMed

Shibata, Yukie; Kawada, Miki; Nakano, Yoshio; Toyoshima, Kuniaki; Yamashita, Yoshihisa

2005-06-01

We identified a gene (atlA) encoding autolytic activity from Streptococcus mutans Xc. The AtlA protein predicted to be encoded by atlA is composed of 979 amino acids with a molecular weight of 107,279 and has a conserved beta-1,4-N-acetylmuramidase (lysozyme) domain in the C-terminal portion. Sodium dodecyl sulfate extracts of strain Xc showed two major bacteriolytic bands with molecular masses of 107 and 79 kDa, both of which were absent from a mutant with inactivated atlA. Western blot analysis revealed that the 79-kDa band was derived from the 107-kDa peptide by cleavage of its N-terminal portion. The inactivation of atlA resulted in a marked decrease in autolysis and the formation of very long chains of cells compared to the case for the parent strain. Although both the parent and mutant strains formed biofilms in the presence of sucrose, the biofilms formed by the mutant had a sponge-like architecture with large gaps and contained 30% less biomass than those formed by the parent strain. Furthermore, strain Xc formed glucose-dependent, loose biofilms in the absence of sucrose, but the mutant lost this ability. These results suggest that AtlA may play an important role in biofilm formation by S. mutans. The antibody produced against the C-terminal peptide containing the beta-1,4-N-acetylmuramidase domain drastically inhibited the autolytic activity of strain Xc. This inhibition was specific among the oral streptococci to S. mutans. These results indicate that the catalytic domain of AtlA is located at the C terminus, suggesting that further characterization of this domain may provide a means to control cariogenic dental plaque formation.

System xC- is a mediator of microglial function and its deletion slows symptoms in amyotrophic lateral sclerosis mice.

PubMed

Mesci, Pinar; Zaïdi, Sakina; Lobsiger, Christian S; Millecamps, Stéphanie; Escartin, Carole; Seilhean, Danielle; Sato, Hideyo; Mallat, Michel; Boillée, Séverine

2015-01-01

Amyotrophic lateral sclerosis is the most common adult-onset motor neuron disease and evidence from mice expressing amyotrophic lateral sclerosis-causing SOD1 mutations suggest that neurodegeneration is a non-cell autonomous process where microglial cells influence disease progression. However, microglial-derived neurotoxic factors still remain largely unidentified in amyotrophic lateral sclerosis. With excitotoxicity being a major mechanism proposed to cause motor neuron death in amyotrophic lateral sclerosis, our hypothesis was that excessive glutamate release by activated microglia through their system [Formula: see text] (a cystine/glutamate antiporter with the specific subunit xCT/Slc7a11) could contribute to neurodegeneration. Here we show that xCT expression is enriched in microglia compared to total mouse spinal cord and absent from motor neurons. Activated microglia induced xCT expression and during disease, xCT levels were increased in both spinal cord and isolated microglia from mutant SOD1 amyotrophic lateral sclerosis mice. Expression of xCT was also detectable in spinal cord post-mortem tissues of patients with amyotrophic lateral sclerosis and correlated with increased inflammation. Genetic deletion of xCT in mice demonstrated that activated microglia released glutamate mainly through system [Formula: see text]. Interestingly, xCT deletion also led to decreased production of specific microglial pro-inflammatory/neurotoxic factors including nitric oxide, TNFa and IL6, whereas expression of anti-inflammatory/neuroprotective markers such as Ym1/Chil3 were increased, indicating that xCT regulates microglial functions. In amyotrophic lateral sclerosis mice, xCT deletion surprisingly led to earlier symptom onset but, importantly, this was followed by a significantly slowed progressive disease phase, which resulted in more surviving motor neurons. These results are consistent with a deleterious contribution of microglial-derived glutamate during symptomatic disease. Therefore, we show that system [Formula: see text] participates in microglial reactivity and modulates amyotrophic lateral sclerosis motor neuron degeneration, revealing system [Formula: see text] inactivation, as a potential approach to slow amyotrophic lateral sclerosis disease progression after onset of clinical symptoms. © The Author (2014). Published by Oxford University Press on behalf of the Guarantors of Brain. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Cross-scale efficient tensor contractions for coupled cluster computations through multiple programming model backends

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ibrahim, Khaled Z.; Epifanovsky, Evgeny; Williams, Samuel

Coupled-cluster methods provide highly accurate models of molecular structure through explicit numerical calculation of tensors representing the correlation between electrons. These calculations are dominated by a sequence of tensor contractions, motivating the development of numerical libraries for such operations. While based on matrix–matrix multiplication, these libraries are specialized to exploit symmetries in the molecular structure and in electronic interactions, and thus reduce the size of the tensor representation and the complexity of contractions. The resulting algorithms are irregular and their parallelization has been previously achieved via the use of dynamic scheduling or specialized data decompositions. We introduce our efforts tomore » extend the Libtensor framework to work in the distributed memory environment in a scalable and energy-efficient manner. We achieve up to 240× speedup compared with the optimized shared memory implementation of Libtensor. We attain scalability to hundreds of thousands of compute cores on three distributed-memory architectures (Cray XC30 and XC40, and IBM Blue Gene/Q), and on a heterogeneous GPU-CPU system (Cray XK7). As the bottlenecks shift from being compute-bound DGEMM's to communication-bound collectives as the size of the molecular system scales, we adopt two radically different parallelization approaches for handling load-imbalance, tasking and bulk synchronous models. Nevertheless, we preserve a unified interface to both programming models to maintain the productivity of computational quantum chemists.« less

Cross-scale efficient tensor contractions for coupled cluster computations through multiple programming model backends

DOE PAGES

Ibrahim, Khaled Z.; Epifanovsky, Evgeny; Williams, Samuel; ...

2017-03-08

Coupled-cluster methods provide highly accurate models of molecular structure through explicit numerical calculation of tensors representing the correlation between electrons. These calculations are dominated by a sequence of tensor contractions, motivating the development of numerical libraries for such operations. While based on matrix–matrix multiplication, these libraries are specialized to exploit symmetries in the molecular structure and in electronic interactions, and thus reduce the size of the tensor representation and the complexity of contractions. The resulting algorithms are irregular and their parallelization has been previously achieved via the use of dynamic scheduling or specialized data decompositions. We introduce our efforts tomore » extend the Libtensor framework to work in the distributed memory environment in a scalable and energy-efficient manner. We achieve up to 240× speedup compared with the optimized shared memory implementation of Libtensor. We attain scalability to hundreds of thousands of compute cores on three distributed-memory architectures (Cray XC30 and XC40, and IBM Blue Gene/Q), and on a heterogeneous GPU-CPU system (Cray XK7). As the bottlenecks shift from being compute-bound DGEMM's to communication-bound collectives as the size of the molecular system scales, we adopt two radically different parallelization approaches for handling load-imbalance, tasking and bulk synchronous models. Nevertheless, we preserve a unified interface to both programming models to maintain the productivity of computational quantum chemists.« less

Analysis of Features for Synthetic Aperture Radar Target Classification

DTIC Science & Technology

2015-03-26

rewriting the variance of a class after projection as s2c = ∑ n wT (xc,n −mc)(xc,n −mc)T w, = wT Scw, (2.25) where subscript c ∈ [1, 2] is the class...such a case, the distribution of class c is N(mc,SW), where SW is the same as in Equation (2.29). Additionally, if m1 ≈ m2, then w approaches zero as...function of the bandwidth, B, and the speed of light, c , where [8] ρx = c 2B . (2.48) 21 Cross-range resolution, ρy, is a function of the wavelength

Thomas-Reiche-Khun populations in X-CH 3 and X-C 2H 5 series of molecules

NASA Astrophysics Data System (ADS)

Zitto, M. E.; Caputo, M. C.; Ferraro, M. B.; Lazzeretti, P.

2000-09-01

Calculations of nuclear electric shieldings, equivalent to dipole moment geometric derivatives, and related to atomic polar tensors, are presented for X-CH 3 and X-C 2H 5 molecules with X=NH 2, OH and F. The electric shielding tensors satisfy a constraint for the electrostatic equilibrium, i.e., the mixed length-acceleration Thomas-Reiche-Khun sum rule, which gives important indications on the reliability of theoretical predictions of IR intensities and leads to the definition of atomic populations. Numerical evidence was found for the additivity and transferability of atomic populations, within the X-substituted alkane series.

An electron momentum spectroscopy and density functional theory study of the outer valence electronic structure of stella-2,6-dione

NASA Astrophysics Data System (ADS)

Nixon, K. L.; Wang, F.; Campbell, L.; Maddern, T.; Winkler, D.; Gleiter, R.; Loeb, P.; Weigold, E.; Brunger, M. J.

2003-07-01

We report on the first electron momentum spectroscopy (EMS) study into the outer valence electronic structure of the ground electronic state for the organic molecule stella-2,6-dione (C8H8O2). Experimentally measured binding-energy spectra are compared against a He(Ialpha) photoelectron spectroscopy result, while our derived momentum distributions (MDs) are compared against corresponding results from the plane wave impulse approximation (PWIA) level calculations. These computations employed density functional theory (DFT) basis states at the triple zeta valence polarization (TZVP) level, with a range of exchange-correlation (XC) functionals. A detailed comparison between the experimental and PWIA DFT-XC/TZVP calculated MDs enabled us to evaluate the accuracy of the various functionals, the Becke-Perdew (BP) XC functional being found to provide the most accurate description here. The importance of the through-bond interaction to the molecular orbitals (MOs) of stella-2,6-dione is demonstrated using the orbital imaging capability of EMS. Finally we show that the molecular geometry of this molecule, as derived from BP/TZVP, is in quite good agreement with corresponding independent experimental data.

Multiple magnetization steps and plateaus across the antiferromagnetic to ferromagnetic transition in L a1 -xC exF e12B6 : Time delay of the metamagnetic transitions

NASA Astrophysics Data System (ADS)

Diop, L. V. B.; Isnard, O.

2018-01-01

The effects of cerium substitution on the structural and magnetic properties of the L a1 -xC exF e12B6 (0 ≤x ≤0.175 ) series of compounds have been studied. All of the compounds exhibit an antiferromagnetic ground state below the Néel temperature TN≈36 K . Both antiferromagnetic and paramagnetic states can be transformed into the ferromagnetic state irreversibly and reversibly depending on the magnitude of the applied magnetic field, the temperature, and the direction of their changes. Of particular interest is the low-temperature magnetization process. This process is discontinuous and evolves unexpected huge metamagnetic transitions consisting of a succession of sharp magnetization steps separated by plateaus, giving rise to an unusual avalanchelike behavior. At constant temperature and magnetic field, the evolution with time of the magnetization displays a spectacular spontaneous jump after a long incubation time. L a1 -xC exF e12B6 compounds exhibit a unique combination of exceptional features like large thermal hysteresis, giant magnetization jumps, and remarkably huge magnetic hysteresis for the field-induced first-order metamagnetic transition.

Electrochemical characteristics of the reduced graphene oxide/carbon nanotube/polypyrrole composites for aqueous asymmetric supercapacitors

NASA Astrophysics Data System (ADS)

Peng, Yu-Jung; Wu, Tzu-Ho; Hsu, Chun-Tsung; Li, Shin-Ming; Chen, Ming-Guan; Hu, Chi-Chang

2014-12-01

Polypyrrole (PPy) has been polymerized onto reduced graphene oxide/carbon nanotube (rGO/CNT) to form an rGO/CNT/PPy composite using the chemical oxidation method. The electrochemical characteristics of the above composite in various aqueous electrolytes are systematically compared for the asymmetric supercapacitor application. The electrochemical characteristics of rGO/CNT/PPy in the electrolytes containing K+ show improved reversibility and higher stability. Introducing XC-72 in preparing the electrode has been found to enhance the specific capacitance and the cycle stability of rGO/CNT/PPy. The charge storage stability of rGO/CNT/PPy + XC-72 in various potential windows has been evaluated through the potential bias stress test. An asymmetric supercapacitor (ASC) with a positive electrode of Mn3O4 and a negative electrode of rGO/CNT/PPy + XC-72 is successfully demonstrated, which shows specific energy and power of 14. Wh kg-1 and 6.62 kW kg-1 with a cell voltage of 1.6 V. This ASC with a cell voltage of 1.6 V shows excellent charge-discharge cycle stability and ideal capacitive behavior in NaNO3 even after the application of 3250 charge-discharge cycles.

Complete treatment with partial cystectomy in giant xanthogranulomatous cystitis case imitating bladder tumor.

PubMed

Balasar, Mehmet; Sönmez, Mehmet Giray; Oltulu, Pembe; Kandemir, Abdülkadir; Kılıç, Mehmet; Gürbüz, Recai

2017-01-01

Xanthogranulomatous cystitis (XC) is a very rare chronic benign inflammatory disease of the bladder. It may cause local invasion although it is not a malign lesion and may occur together with malign lesions. It has a clinical importance as the distinction from malign lesions is difficult clinically and pathologically. Sharing a 37-year-old female case with giant XC imitating bladder tumor referring to the hospital with hematuria and stomach ache, together with current literature, we wanted to present that the disease can be treated with bladder-preserving approaches instead of radical approaches even though the mass is big in these cases. Application of basic excision and partial resection for small masses and radical cystectomy for large masses was reported in literature. We think that our case may provide a contribution to literature in treatment approach since we provided surgical cure with partial resection in a big mass with dimensions of 9 cm × 8 cm which is different from the present literature. Even though XC is a rare disease, it should be considered in prediagnosis for especially big dimensioned masses, and treatment should be planned according to the pathology result after together with cystoscopy in suitable patients.

Efficient Density Functional Approximation for Electronic Properties of Conjugated Systems

NASA Astrophysics Data System (ADS)

Caldas, Marília J.; Pinheiro, José Maximiano, Jr.; Blum, Volker; Rinke, Patrick

2014-03-01

There is on-going discussion about reliable prediction of electronic properties of conjugated oligomers and polymers, such as ionization potential IP and energy gap. Several exchange-correlation (XC) functionals are being used by the density functional theory community, with different success for different properties. In this work we follow a recent proposal: a fraction α of exact exchange is added to the semi-local PBE XC aiming consistency, for a given property, with the results obtained by many-body perturbation theory within the G0W0 approximation. We focus the IP, taken as the negative of the highest occupied molecular orbital energy. We choose α from a study of the prototype family trans-acetylene, and apply this same α to a set of oligomers for which there is experimental data available (acenes, phenylenes and others). Our results indicate we can have excellent estimates, within 0,2eV mean ave. dev. from the experimental values, better than through complete EN - 1 -EN calculations from the starting PBE functional. We also obtain good estimates for the electrical gap and orbital energies close to the band edge. Work supported by FAPESP, CNPq, and CAPES, Brazil, and DAAD, Germany.

Time-dependent i-DFT exchange-correlation potentials with memory: applications to the out-of-equilibrium Anderson model

NASA Astrophysics Data System (ADS)

Kurth, Stefan; Stefanucci, Gianluca

2018-06-01

We have recently put forward a steady-state density functional theory (i-DFT) to calculate the transport coefficients of quantum junctions. Within i-DFT it is possible to obtain the steady density on and the steady current through an interacting junction using a fictitious noninteracting junction subject to an effective gate and bias potential. In this work we extend i-DFT to the time domain for the single-impurity Anderson model. By a reverse engineering procedure we extract the exchange-correlation (xc) potential and xc bias at temperatures above the Kondo temperature T K. The derivation is based on a generalization of a recent paper by Dittmann et al. [N. Dittmann et al., Phys. Rev. Lett. 120, 157701 (2018)]. Interestingly the time-dependent (TD) i-DFT potentials depend on the system's history only through the first time-derivative of the density. We perform numerical simulations of the early transient current and investigate the role of the history dependence. We also empirically extend the history-dependent TD i-DFT potentials to temperatures below T K. For this purpose we use a recently proposed parametrization of the i-DFT potentials which yields highly accurate results in the steady state.

Monitoring system for testing the radiation hardness of a KINTEX-7 FPGA

NASA Astrophysics Data System (ADS)

Cojocariu, L. N.; Placinta, V. M.; Dumitru, L.

2016-03-01

A much more efficient Ring Imaging Cherenkov sub-detector system will be rebuilt in the second long shutdown of Large Hadron Collider for the LHCb experiment. Radiation-hard electronic components together with Commercial Off-The-Shelf ones will be used in the new Cherenkov photon detection system architecture. An irradiation program was foreseen to determine the radiation tolerance for the new electronic devices, including a Field Programmable Gate Array from KINTEX-7 family of XILINX. An automated test bench for online monitoring of the XC7K70T KINTEX-7 device operation in radiation conditions was designed and implemented by the LHCb Romanian group.

[The development of a respiration and temperature monitor].

PubMed

Du, X; Wu, B; Liu, Y; He, Q; Xiao, J

2001-12-01

This paper introduces the design of a monitoring system to measure the respiration and temperature of a body with an 8Xc196 single-chip microcomputer. This system can measure and display the respiration wave, respiration frequency and the body temperature in real-time with a liquid crystal display (LCD) and give an alarm when the parameters are beyond the normal scope. In addition, this device can provide a 24 hours trend graph of the respiration frequency and the body temperature parameters measured. Data can also be exchanged through serial communication interfaces (RS232) between the PC and the monitor.

Optimised effective potential for ground states, excited states, and time-dependent phenomena

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gross, E.K.U.

1996-12-31

(1) The optimized effective potential method is a variant of the traditional Kohn-Sham scheme. In this variant, the exchange-correlation energy E{sub xc} is an explicit functional of single-particle orbitals. The exchange-correlation potential, given as usual by the functional derivative v{sub xc} = {delta}E{sub xc}/{delta}{rho}, then satisfies as integral equation involving the single-particle orbitals. This integral equation in solved semi-analytically using a scheme recently proposed by Krieger, Li and Iafrate. If the exact (Fock) exchange-energy functional is employed together with the Colle-Salvetti orbital functional for the correlation energy, the mean absolute deviation of the resulting ground-state energies from the exact nonrelativisticmore » values is CT mH for the first-row atoms, as compared to 4.5 mH in a state-of-the-art CI calculation. The proposed scheme is thus significantly more accurate than the conventional Kohn-Sham method while the numerical effort involved is about the same as for an ordinary Hanree-Fock calculation. (2) A time-dependent generalization of the optimized-potential method is presented and applied to the linear-response regime. Since time-dependent density functional theory leads to a formally exact representation of the frequency-dependent linear density response and since the latter, as a function of frequency, has poles at the excitation energies of the fully interacting system, the formalism is suitable for the calculation of excitation energies. A simple additive correction to the Kohn-Sham single-particle excitation energies will be deduced and first results for atomic and molecular singlet and triplet excitation energies will be presented. (3) Beyond the regime of linear response, the time-dependent optimized-potential method is employed to describe atoms in strong emtosecond laser pulses. Ionization yields and harmonic spectra will be presented and compared with experimental data.« less

Evaluation of exchange-correlation functionals for time-dependent density functional theory calculations on metal complexes.

PubMed

Holland, Jason P; Green, Jennifer C

2010-04-15

The electronic absorption spectra of a range of copper and zinc complexes have been simulated by using time-dependent density functional theory (TD-DFT) calculations implemented in Gaussian03. In total, 41 exchange-correlation (XC) functionals including first-, second-, and third-generation (meta-generalized gradient approximation) DFT methods were compared in their ability to predict the experimental electronic absorption spectra. Both pure and hybrid DFT methods were tested and differences between restricted and unrestricted calculations were also investigated by comparison of analogous neutral zinc(II) and copper(II) complexes. TD-DFT calculated spectra were optimized with respect to the experimental electronic absorption spectra by use of a Matlab script. Direct comparison of the performance of each XC functional was achieved both qualitatively and quantitatively by comparison of optimized half-band widths, root-mean-squared errors (RMSE), energy scaling factors (epsilon(SF)), and overall quality-of-fit (Q(F)) parameters. Hybrid DFT methods were found to outperform all pure DFT functionals with B1LYP, B97-2, B97-1, X3LYP, and B98 functionals providing the highest quantitative and qualitative accuracy in both restricted and unrestricted systems. Of the functionals tested, B1LYP gave the most accurate results with both average RMSE and overall Q(F) < 3.5% and epsilon(SF) values close to unity (>0.990) for the copper complexes. The XC functional performance in spin-restricted TD-DFT calculations on the zinc complexes was found to be slightly worse. PBE1PBE, mPW1PW91 and B1LYP gave the most accurate results with typical RMSE and Q(F) values between 5.3 and 7.3%, and epsilon(SF) around 0.930. These studies illustrate the power of modern TD-DFT calculations for exploring excited state transitions of metal complexes. 2009 Wiley Periodicals, Inc.

Analytical W-He and H-He interatomic potentials for a W-H-He system

NASA Astrophysics Data System (ADS)

Li, Xiao-Chun; Shu, Xiaolin; Liu, Yi-Nan; Yu, Yi; Gao, F.; Lu, Guang-Hong

2012-07-01

We have constructed W-He and H-He analytical bond-order potentials for a W-H-He system. In combination with the previously self-developed W-H potential [X.-C. Li, X. Shu, Y.-N. Liu, F. Gao, G.-H. Lu, J. Nucl. Mater. 408 (2011) 12] and the Hartree-Fock-dispersion pair potential (Aziz-potential) for He-He interactions, we demonstrate that such potentials behave well for reproducing various properties of the W-H-He system such as defect formation energies, structural properties, and diffusion barriers. Such potentials can be employed to model both the He behaviours and the H-He synergetic effects in the W-H-He system.

Physiologic Systems and Their Responses to Conditions of Heat and Cold

DTIC Science & Technology

2012-01-01

serial measures are made. Hypohydration increases heat storage by reducing sweating rate and skin blood-flow responses for a given core temperature. In...Capi’llary (3.5 L) E_xc_h~ (B%TBW) - - t Lymph Fluid Output I ) Urine Sweat ,JSF (1 1.5 L) (25% TBW) Osmotic Exchange ..._ _ ICF (30 L) (67%TBW...diuretics increase urine formation and generally result in the loss of boch solures and warer. Diuretic-induced hypohydrarion generally results in an

Model Development For Wireless Propagation In Forested Environments

DTIC Science & Technology

2015-09-01

communications systems and wireless sensor networks (WSN) that operate in forested environments for military , industrial and scientific applications is...primarily because of its usefulness in military applications, such as communications between dismounted troops or battlefield WSNs [5]. B. EXISTING...lossy slab with 0.0845 ˆ Np/mα = . Distance, m 5 10 15 20 25 30 35 E xc es s A tte nu at io n Lo ss , L a tt (d B ) -10 -5 0 5 10 15 20 25 30

(abstract) Effect of Electrolyte Composition on Carbon Electrode Performance

NASA Technical Reports Server (NTRS)

Huang, C-K.; Surampudi, S.; Shen, D. H.; Halpert, G.

1993-01-01

Rechargeable lithium cells containing lithium foil anodes are reported to have limited cycle life (at 100% DOD) performance and safety problems. These limitations are understood to be due to the high reactivity of elemental Li with the electrolyte and the formation of high surface area Li during cycling. To mitigate these problems, several lithium alloys and lithium intercalation compounds are being investigated as alternate lithium anode materials. Li(sub x)C has been identified as a promising lithium anode material due to its low equivalent weight, low voltage vs. Li, and improved stability towards various electrolytes. In this paper, we report the results of our studies on the electrolyte evaluation for the Li(sub x)C anode.

Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berardo, Enrico; Hu, Hanshi; Shevlin, S. A.

2014-03-11

We have investigated the suitability of Time-Dependent Density Functional Theory (TD-DFT) to describe vertical low-energy excitations in naked and hydrated titanium dioxide nanoparticles through a comparison with results from Equation-of-Motion Coupled Cluster (EOM-CC) quantum chemistry methods. We demonstrate that for most TiO2 nanoparticles TD-DFT calculations with commonly used exchange-correlation (XC-)potentials (e.g. B3LYP) and EOM-CC methods give qualitatively similar results. Importantly, however, we also show that for an important subset of structures, TD-DFT gives qualitatively different results depending upon the XC-potential used and that in this case only TD-CAM-B3LYP and TD-BHLYP calculations yield results that are consistent with those obtained usingmore » EOM-CC theory. Moreover, we demonstrate that the discrepancies for such structures arise from a particular combination of defects, excitations involving which are charge-transfer excitations and hence are poorly described by XC-potentials that contain no or low fractions of Hartree-Fock like exchange. Finally, we discuss that such defects are readily healed in the presence of ubiquitously present water and that as a result the description of vertical low-energy excitations for hydrated TiO2 nanoparticles is hence non-problematic.« less

Influence of xc functional on thermal-elastic properties of Ceria: A DFT-based Debye-Grüneisen model approach

NASA Astrophysics Data System (ADS)

Lee, Ji-Hwan; Tak, Youngjoo; Lee, Taehun; Soon, Aloysius

Ceria (CeO2-x) is widely studied as a choice electrolyte material for intermediate-temperature (~ 800 K) solid oxide fuel cells. At this temperature, maintaining its chemical stability and thermal-mechanical integrity of this oxide are of utmost importance. To understand their thermal-elastic properties, we firstly test the influence of various approximations to the density-functional theory (DFT) xc functionals on specific thermal-elastic properties of both CeO2 and Ce2O3. Namely, we consider the local-density approximation (LDA), the generalized gradient approximation (GGA-PBE) with and without additional Hubbard U as applied to the 4 f electron of Ce, as well as the recently popularized hybrid functional due to Heyd-Scuseria-Ernzehof (HSE06). Next, we then couple this to a volume-dependent Debye-Grüneisen model to determine the thermodynamic quantities of ceria at arbitrary temperatures. We find an explicit description of the strong correlation (e.g. via the DFT + U and hybrid functional approach) is necessary to have a good agreement with experimental values, in contrast to the mean-field treatment in standard xc approximations (such as LDA or GGA-PBE). We acknowledge support from Samsung Research Funding Center of Samsung Electronics (SRFC-MA1501-03).

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maxwell, Don E; Ezell, Matthew A; Becklehimer, Jeff

While sites generally have systems in place to monitor the health of Cray computers themselves, often the cooling systems are ignored until a computer failure requires investigation into the source of the failure. The Liebert XDP units used to cool the Cray XE/XK models as well as the Cray proprietary cooling system used for the Cray XC30 models provide data useful for health monitoring. Unfortunately, this valuable information is often available only to custom solutions not accessible by a center-wide monitoring system or is simply ignored entirely. In this paper, methods and tools used to harvest the monitoring data availablemore » are discussed, and the implementation needed to integrate the data into a center-wide monitoring system at the Oak Ridge National Laboratory is provided.« less

Determinants of a simulated cross-country skiing sprint competition using V2 skating technique on roller skis.

PubMed

Mikkola, Jussi; Laaksonen, Marko; Holmberg, Hans-Christer; Vesterinen, Ville; Nummela, Ari

2010-04-01

The present study investigated the performance-predicting factors of a simulated cross-country (XC) skiing sprint competition on roller skis, on a slow surface. Sixteen elite male XC skiers performed a simulated sprint competition (4 x 850 m heat with a 20-minute recovery) using V2 skating technique on an indoor tartan track. Heat velocities, oxygen consumption, and peak lactate were measured during or after the heats. Maximal skiing velocity was measured by performing a 30-m speed test. Explosive and maximal force production in the upper body was determined by bench press (BP). Subjects also performed maximal anaerobic skiing test (MAST) and the 2 x 2-km double poling (DP) test. The maximal velocity of MAST (VMAST) and velocities at 3 (V3), 5 (V5), 7 (V7) mmol.L lactate levels in MAST were determined. In the 2 x 2-km test, DP economy (VO2SUBDP) and maximal 2-km DP velocity (VDP2KM) were determined. The best single performance-predicting factors for the sprint performance were VDP2KM (r = 0.73, p < 0.01), V7 (r = 0.70, p < 0.01), and VO2SUBDP (r = -0.70, p < 0.01). Faster skiers in sprint simulation had a higher absolute VO2 (L.min) (p < 0.05-0.01) during sprint heats, and higher anaerobic skiing power (VMAST, p < 0.05) and better anaerobic skiing economy (V3, V5, V7, p < 0.05-0.001) than slower skiers. Faster skiers were also stronger in BP, with regard to both absolute (p < 0.01) and relative (p < 0.05) values. In addition, anaerobic characteristics seem to be of importance at the beginning of the XC skiing sprint competition, whereas the aerobic characteristics become more important as the XC skiing sprint competition progressed. This study indicates that sprint skiers should emphasize sport-specific upper body training, and training skiing economy at high speeds.

THE RELATIONSHIP BETWEEN ISOTONIC PLANTAR FLEXOR ENDURANCE, NAVICULAR DROP, AND EXERCISE-RELATED LEG PAIN IN A COHORT OF COLLEGIATE CROSS-COUNTRY RUNNERS

PubMed Central

Reinking, Mark F.; Rauh, Mitchell J.

2012-01-01

Purpose: The purpose of this study was to examine the relationships between isotonic ankle plantar flexor endurance (PFE), foot pronation as measured by navicular drop, and exercise-related leg pain (ERLP). Background: Exercise-related leg pain is a common occurrence in competitive and recreational runners. The identification of factors contributing to the development of ERLP may help guide methods for the prevention and management of overuse injuries. Methods: Seventy-seven (44 males, 33 females) competitive runners from five collegiate cross-country (XC) teams consented to participate in the study. Isotonic ankle PFE and foot pronation were measured using the standing heel-rise and navicular drop (ND) tests, respectively. Demographic information, anthropometric measurements, and ERLP history were also recorded. Subjects were then prospectively tracked for occurrence of ERLP during the 2009 intercollegiate cross-country season. Multivariate logistic regression analysis was used to examine the relationships between isotonic ankle joint PFE and ND and the occurrence of ERLP. Results: While no significant differences were identified for isotonic ankle PFE between groups of collegiate XC runners with and without ERLP, runners with a ND >10 mm were almost 7 times (OR=6.6, 95% CI=1.2–38.0) more likely to incur medial ERLP than runners with ND <10 mm. Runners with a history of ERLP in the month previous to the start of the XC season were 12 times (OR=12.3, 95% CI=3.1–48.9) more likely to develop an in-season occurrence of ERLP. Conclusion: While PFE did not appear to be a risk factor in the development of ERLP in this group of collegiate XC runners, those with a ND greater than 10 mm may be at greater odds of incurring medial ERLP. Level of Evidence: 2b. PMID:22666641

Synthetic and Spectroscopic Studies on N-(i,j-Disubstituted Phenyl)-4- Substituted Benzenesulphonamides, 4-X'C6H4SO2NH(i,j-X2C6H3), where X' = H, CH3, C2H5, F, Cl or Br; i, j = 2, 3; 2, 4; 2, 5; 2, 6 or 3, 4; and X = CH3 or Cl

NASA Astrophysics Data System (ADS)

Shetty, Mahesha; Gowda, B. Thimme

2005-02-01

Fifty four N-(i,j-disubstituted phenyl)-4-substituted benzenesulphonamides of the general formula 4-X'C6H4SO2NH(i,j-X2C6H3), where X' = H, CH3, C2H5, F, Cl or Br; i,j = 2,3; 2,4; 2,5; 2,6 or 3, 4; and X = CH3 or Cl, are prepared and characterized and their infrared, 1H and 13C NMR spectra in solution are studied. The N-H stretching vibrations νN-H absorb in the range 3305 - 3205 cm-1, while the asymmetric and symmetric SO2 vibrations vary in the ranges 1377 - 1307 cm-1 and 1184 - 1128 cm-1, respectively. The N-(i,j-disubstituted phenyl)-4-substituted benzenesulphonamides show C-S, S-N and C-N stretching vibrations in the ranges 844 - 800 cm-1, 945 - 891 cm-1 and 1309 - 1170 cm-1, respectively. The compounds do not exhibit particular trends in the variation of these frequencies on substitution either at ortho or meta positions with either a methyl group or Cl. The observed 1H and 13C chemical shifts of are assigned to protons and carbon atoms of the two benzene rings. Incremental shifts of the ring protons and carbon atoms due to -SO2NH(i,j-X2C6H3) groups in C6H5SO2NH(i,j-X2C6H3) and 4-X'C6H4SO2NH- groups in 4-X'C6H4SO2NH(C6H*) are computed and employed to calculate the chemical shifts of the ring protons and carbon atoms in the substituted compounds 4-X'C6H4SO2NH(i,j-X2C6H3). The different methods of calculation lead to almost the same values in most cases and agree well with the observed chemical shifts, indicating the validity of the principle of additivity of the substituent effects with chemical shifts in these compounds.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Betancourt, Luis E.; Guzman-Blas, Rolando; Luo, Si

A robust electrodeposition method consisting of the rotating disk slurry electrode (RoDSE) technique to obtain Au nanoparticles highly dispersed on a conductive carbonaceous support, i.e., Vulcan XC-72R, for ethanol electrooxidation reaction in alkaline media was developed. Ceria was used as a cocatalyst using a Ce(III)-EDTA impregnation method in order to enhance the catalytic activity and improve the catalyst’s overall stability. Furthermore, the RoDSE method used to obtain highly dispersed Au nanoparticles does not require the use of a reducing agent or stabilizing agent, and the noble-metal loading was controlled by the addition and tuning of the metal precursor concentration. Inductivelymore » coupled plasma and thermogravimetric analysis indicated that the Au loading in the catalyst was 9 %. We determined the particle size and characteristic Au fcc crystal facets by X-ray diffraction. The morphology of the catalyst was also investigated using electron microscopy techniques. In addition, X-ray absorption spectroscopy was used to corroborate the presence and identify the oxidation state of Ce in the system and to observe if there are any electronic interactions within the 8 % Au/CeO x/C system. Cyclic voltammetry of electrodeposited 9 % Au/C and Ce-promoted 8 % Au/C showed a higher catalytic current density for ethanol oxidation when compared with commercially available catalysts (20 % Au/C) of a higher precious metal loading. Additionally, we report a higher stability toward the ethanol electrooxidation process, which was corroborated by 1 mV/s linear sweep voltammetry and chronoamperometric studies.« less

Electrical and Magnetic Properties of Binary Amorphous Transition Metal Alloys.

NASA Astrophysics Data System (ADS)

Liou, Sy-Hwang

The electrical, superconductive and magnetic properties of several binary transition metal amorphous and metastable crystalline alloys, Fe(,x)Ti(,100-x) (30 (LESSTHEQ) x (LESSTHEQ) 100), Fe(,x)Zr(,100-x) (20 (LESSTHEQ) x (LESSTHEQ) 93), Fe(,x)Hf(,100-x) (20 (LESSTHEQ) x (LESSTHEQ) 100), Fe(,x)Nb(,100 -x) (22 (LESSTHEQ) x (LESSTHEQ) 85), Ni(,x)Nb(,100-x) (20 (LESSTHEQ) x (LESSTHEQ) 80), Cu(,x)Nb(,100-x) (10 (LESSTHEQ) x (LESSTHEQ) 90) were studied over a wide composition range. Films were made using a magnetron sputtering system, and the structure of the films was investigated by energy dispersive x-ray diffraction. The composition region of each amorphous alloys system was determined and found in good agreement with a model proposed by Egami and Waseda. The magnetic properties and hyperfine interactions in the films were investigated using a conventional Mossbauer spectrometer and a ('57)Co in Rh matrix source. In all Fe-early transition metal binary alloys systems, Fe does not retain its moment in the low iron concentration region and the result is that the critical concentration for magnetic order (x(,c)) is much larger than anticipated from percolation considerations. A direct comparison between crystalline alloys and their amorphous counterparts of the same composition illustrate no clear correlation between crystalline and amorphous states. Pronounced discontinuities in the magnetic properties with variation in Fe content of all Fe-early transition metal alloys at phase boundaries separating amorphous and crystalline states have been observed. This is caused by the differences in the atomic arrangement and the electronic structure between crystalline and amorphous solids. The temperature dependence of resistivity, (rho)(T), of several binary amorphous alloys of Fe-TM (where TM = Ti, Zr, Hf, Nb etc.) has been studied from 2K to 300K. The Fe-poor (x < x(,c)) samples and the Fe-rich (x > x(,c)) samples have distinctive differences in (rho)(T) at low temperature (below 30K). All the magnetic samples show a logarithmic dependence at low temperature that can be described by Kondo scattering. In addition, there is a change in slope of (rho)(T) at a temperature close to the magnetic ordering temperature, indicating a contribution attributed to magnetic ordering. Several Nb-based amorphous alloys (Fe-Nb, Ni-Nb, Cu-Nb) have also been systematically studied. The effect of the magnetic species on superconductivity is investigated. The value of superconducting transition temperature (T(,s)) increases linearly with increasing Nb concentration. (Abstract shortened with permission of author.).

Describing long-range charge-separation processes with subsystem density-functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Solovyeva, Alisa; Neugebauer, Johannes, E-mail: j.neugebauer@uni-muenster.de; Pavanello, Michele, E-mail: m.pavanello@rutgers.edu

2014-04-28

Long-range charge-transfer processes in extended systems are difficult to describe with quantum chemical methods. In particular, cost-effective (non-hybrid) approximations within time-dependent density functional theory (DFT) are not applicable unless special precautions are taken. Here, we show that the efficient subsystem DFT can be employed as a constrained DFT variant to describe the energetics of long-range charge-separation processes. A formal analysis of the energy components in subsystem DFT for such excitation energies is presented, which demonstrates that both the distance dependence and the long-range limit are correctly described. In addition, electronic couplings for these processes as needed for rate constants inmore » Marcus theory can be obtained from this method. It is shown that the electronic structure of charge-separated states constructed by a positively charged subsystem interacting with a negatively charged one is difficult to converge — charge leaking from the negative subsystem to the positive one can occur. This problem is related to the delocalization error in DFT and can be overcome with asymptotically correct exchange–correlation (XC) potentials or XC potentials including a sufficiently large amount of exact exchange. We also outline an approximate way to obtain charge-transfer couplings between locally excited and charge-separated states.« less

Stabilizing platinum in phosphoric acid fuel cells

NASA Technical Reports Server (NTRS)

Remick, R. J.

1981-01-01

The cathode of the phosphoric acid fuel cell uses a high surface area platinum catalyst supported on a carbon substrate. During operation, the small platinum crystallites sinter, causing loss in cell performance. A support was developed that stabilizes platinum in the high surface area condition by retarding or preventing the sintering process. The approach is to form etch pits in the carbon by oxidizing the carbon in the presence of a metal oxide catalyst, remove the metal oxide by an acid wash, and then deposit platinum in these pits. Results confirm the formation of etch pits in each of the three supports chosen for investigation: Vulcan XC-72R, Vulcan XC-72 that was graphized at 2500 C, and Shawinigan Acetylene Black.

Direct observation of current-induced conductive path in colossal-electroresistance manganite thin films

NASA Astrophysics Data System (ADS)

Wei, Wengang; Zhu, Yinyan; Bai, Yu; Liu, Hao; Du, Kai; Zhang, Kai; Kou, Yunfang; Shao, Jian; Wang, Wenbin; Hou, Denglu; Dong, Shuai; Yin, Lifeng; Shen, Jian

2016-01-01

Manganites are known to often show colossal electroresistance (CER) in addition to colossal magnetoresistance. The (La1-yP ry) 1 -xC axMn O3 (LPCMO) system has a peculiar CER behavior in that little change of magnetization occurs. We use a magnetic force microscope to uncover the CER mechanism in the LPCMO system. In contrast to the previous belief that current reshapes the ferromagnetic metallic (FMM) domains, we show that the shape of the FMM domains remain virtually unchanged after passing electric current. Instead, it is the appearance of a tiny fraction of FMM "bridges" that is responsible for the CER behavior.

Cruciferous Vegetables Have Variable Effects on Biomarkers of Systemic Inflammation in a Randomized Controlled Trial in Healthy Young Adults12

PubMed Central

Navarro, Sandi L.; Schwarz, Yvonne; Song, Xiaoling; Wang, Ching-Yun; Chen, Chu; Trudo, Sabrina P.; Kristal, Alan R.; Kratz, Mario; Eaton, David L.; Lampe, Johanna W.

2014-01-01

Background: Isothiocyanates in cruciferous vegetables modulate signaling pathways critical to carcinogenesis, including nuclear factor kappa-light-chain-enhancer of activated B cells (NF-κB), a central regulator of inflammation. Glutathione S-transferase (GST) M1 and GSTT1 metabolize isothiocyanates; genetic variants may result in differences in biologic response. Objective: The objective of this study was to test whether consumption of cruciferous or cruciferous plus apiaceous vegetables altered serum concentrations of interleukin (IL)-6, IL-8, C-reactive protein (CRP), tumor necrosis factor (TNF) α, and soluble TNF receptor (sTNFR) I and II, and whether this response was GSTM1/GSTT1 genotype dependent. Methods: In a randomized crossover trial, healthy men (n = 32) and women (n = 31) aged 20–40 y consumed 4 14-d controlled diets: basal (vegetable-free), single-dose cruciferous (1xC) [7 g vegetables/kg body weight (BW)], double-dose cruciferous (2xC) (14 g/kg BW), and cruciferous plus apiaceous (carrot family) (1xC+A) vegetables (7 and 4 g/kg BW, respectively), with a 21-d washout period between each intervention. Urinary isothiocyanate excretion was also evaluated as a marker of systemic isothiocyanate exposure. Fasting morning blood and urine samples were collected on days 0 and 14 and analyzed. Results: IL-6 concentrations were significantly lower on day 14 of the 2xC and 1xC+A diets than with the basal diet [−19% (95% CI: −30%, −0.1%) and −20% (95% CI: −31%, -0.7%), respectively]. IL-8 concentrations were higher after the 1xC+A diet (+16%; 95% CI: 4.2%, 35.2%) than after the basal diet. There were no effects of diet on CRP, TNF-α, or sTNFRI or II. There were significant differences between GSTM1-null/GSTT1+ individuals for several biomarkers in response to 1xC+A compared with basal diets (CRP: −37.8%; 95% CI: −58.0%, −7.4%; IL-6: −48.6%; 95% CI: −49.6%, −12.0%; IL-8: 16.3%; 95% CI: 6.7%, 57.7%) and with the 2xC diet compared with the basal diet (IL-8: −33.2%; 95% CI: −43.0%, −1.4%; sTNFRI: −7.5%; 95% CI: −12.7%, −2.3%). There were no significant reductions in biomarker concentrations in response to diet among GSTM1+/GSTT1+ or GSTM1-null/GSTT1-null individuals. Twenty-four-hour urinary isothiocyanate excretion was not associated with any of the inflammation markers overall; however, IL-6 was inversely associated with total isothiocyanate excretion in GSTM1-null/GSTT1-null individuals (β = −0.12; 95% CI: −0.19, −0.05). Conclusions: In this young, healthy population, consumption of cruciferous and apiaceous vegetables reduced circulating IL-6; however, results for other biomarkers of inflammation were not consistent. PMID:25165394

Invasive Streptococcus mutans induces inflammatory cytokine production in human aortic endothelial cells via regulation of intracellular toll-like receptor 2 and nucleotide-binding oligomerization domain 2.

PubMed

Nagata, E; Oho, T

2017-04-01

Streptococcus mutans, the primary etiologic agent of dental caries, can gain access to the bloodstream and has been associated with cardiovascular disease. However, the roles of S. mutans in inflammation in cardiovascular disease remain unclear. The aim of this study was to examine cytokine production induced by S. mutans in human aortic endothelial cells (HAECs) and to evaluate the participation of toll-like receptors (TLRs) and cytoplasmic nucleotide-binding oligomerization domain (NOD) -like receptors in HAECs. Cytokine production by HAECs was determined using enzyme-linked immunosorbent assays, and the expression of TLRs and NOD-like receptors was evaluated by real-time polymerase chain reaction, flow cytometry and immunocytochemistry. The involvement of TLR2 and NOD2 in cytokine production by invaded HAECs was examined using RNA interference. The invasion efficiencies of S. mutans strains were evaluated by means of antibiotic protection assays. Five of six strains of S. mutans of various serotypes induced interleukin-6, interleukin-8 and monocyte chemoattractant protein-1 production by HAECs. All S. mutans strains upregulated TLR2 and NOD2 mRNA levels in HAECs. Streptococcus mutans Xc upregulated the intracellular TLR2 and NOD2 protein levels in HAECs. Silencing of the TLR2 and NOD2 genes in HAECs invaded by S. mutans Xc led to a reduction in interleukin-6, interleukin-8 and monocyte chemoattractant protein-1 production. Cytokine production induced by invasive S. mutans via intracellular TLR2 and NOD2 in HAECs may be associated with inflammation in cardiovascular disease. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Silencing of the Violaxanthin De-Epoxidase Gene in the Diatom Phaeodactylum tricornutum Reduces Diatoxanthin Synthesis and Non-Photochemical Quenching

PubMed Central

Vugrinec, Sascha; Kroth, Peter G.

2012-01-01

Diatoms are a major group of primary producers ubiquitous in all aquatic ecosystems. To protect themselves from photooxidative damage in a fluctuating light climate potentially punctuated with regular excess light exposures, diatoms have developed several photoprotective mechanisms. The xanthophyll cycle (XC) dependent non-photochemical chlorophyll fluorescence quenching (NPQ) is one of the most important photoprotective processes that rapidly regulate photosynthesis in diatoms. NPQ depends on the conversion of diadinoxanthin (DD) into diatoxanthin (DT) by the violaxanthin de-epoxidase (VDE), also called DD de-epoxidase (DDE). To study the role of DDE in controlling NPQ, we generated transformants of P. tricornutum in which the gene (Vde/Dde) encoding for DDE was silenced. RNA interference was induced by genetic transformation of the cells with plasmids containing either short (198 bp) or long (523 bp) antisense (AS) fragments or, alternatively, with a plasmid mediating the expression of a self-complementary hairpin-like construct (inverted repeat, IR). The silencing approaches generated diatom transformants with a phenotype clearly distinguishable from wildtype (WT) cells, i.e. a lower degree as well as slower kinetics of both DD de-epoxidation and NPQ induction. Real-time PCR based quantification of Dde transcripts revealed differences in transcript levels between AS transformants and WT cells but also between AS and IR transformants, suggesting the possible presence of two different gene silencing mediating mechanisms. This was confirmed by the differential effect of the light intensity on the respective silencing efficiency of both types of transformants. The characterization of the transformants strengthened some of the specific features of the XC and NPQ and confirmed the most recent mechanistic model of the DT/NPQ relationship in diatoms. PMID:22629333

Measurements of the absolute branching fractions of B+→Xc c ¯K+ and B+→D¯(*)0π+ at Belle

NASA Astrophysics Data System (ADS)

Kato, Y.; Iijima, T.; Adachi, I.; Aihara, H.; Al Said, S.; Asner, D. M.; Aulchenko, V.; Aushev, T.; Ayad, R.; Babu, V.; Badhrees, I.; Bakich, A. M.; Bansal, V.; Barberio, E.; Behera, P.; Bhardwaj, V.; Bhuyan, B.; Biswal, J.; Bozek, A.; Bračko, M.; Browder, T. E.; Červenkov, D.; Chang, P.; Cheaib, R.; Chekelian, V.; Chen, A.; Cheon, B. G.; Chilikin, K.; Cho, K.; Choi, S.-K.; Choi, Y.; Cinabro, D.; Czank, T.; Dash, N.; Di Carlo, S.; Doležal, Z.; Drásal, Z.; Dutta, D.; Eidelman, S.; Epifanov, D.; Fast, J. E.; Ferber, T.; Fulsom, B. G.; Gaur, V.; Gabyshev, N.; Garmash, A.; Gelb, M.; Goldenzweig, P.; Greenwald, D.; Guido, E.; Haba, J.; Hayasaka, K.; Hayashii, H.; Hedges, M. T.; Hirose, S.; Hou, W.-S.; Inami, K.; Inguglia, G.; Ishikawa, A.; Itoh, R.; Iwasaki, M.; Iwasaki, Y.; Jacobs, W. W.; Jaegle, I.; Jeon, H. B.; Jin, Y.; Joo, K. K.; Julius, T.; Kaliyar, A. B.; Kang, K. H.; Karyan, G.; Kawasaki, T.; Kichimi, H.; Kiesling, C.; Kim, D. Y.; Kim, J. B.; Kim, S. H.; Kim, Y. J.; Kinoshita, K.; Kodyš, P.; Korpar, S.; Kotchetkov, D.; Križan, P.; Kroeger, R.; Krokovny, P.; Kuhr, T.; Kulasiri, R.; Kuzmin, A.; Kwon, Y.-J.; Lange, J. S.; Lee, I. S.; Li, C. H.; Li, L.; Li Gioi, L.; Libby, J.; Liventsev, D.; Lubej, M.; Luo, T.; Masuda, M.; Matsuda, T.; Merola, M.; Miyabayashi, K.; Miyata, H.; Mizuk, R.; Mohanty, G. B.; Moon, H. K.; Mori, T.; Mussa, R.; Nakano, E.; Nakao, M.; Nanut, T.; Nath, K. J.; Natkaniec, Z.; Nayak, M.; Niiyama, M.; Nisar, N. K.; Nishida, S.; Ogawa, S.; Okuno, S.; Ono, H.; Pakhlov, P.; Pakhlova, G.; Pal, B.; Park, C.-S.; Park, C. W.; Park, H.; Paul, S.; Pedlar, T. K.; Pestotnik, R.; Piilonen, L. E.; Ritter, M.; Rostomyan, A.; Sakai, Y.; Salehi, M.; Sandilya, S.; Sato, Y.; Savinov, V.; Schneider, O.; Schnell, G.; Schwanda, C.; Schwartz, A. J.; Seino, Y.; Senyo, K.; Sevior, M. E.; Shebalin, V.; Shen, C. P.; Shibata, T.-A.; Shiu, J.-G.; Simon, F.; Sokolov, A.; Solovieva, E.; Starič, M.; Strube, J. F.; Sumihama, M.; Sumisawa, K.; Sumiyoshi, T.; Takizawa, M.; Tamponi, U.; Tanida, K.; Tenchini, F.; Trabelsi, K.; Uchida, M.; Uehara, S.; Uglov, T.; Unno, Y.; Uno, S.; Urquijo, P.; Usov, Y.; Van Hulse, C.; Varner, G.; Varvell, K. E.; Vorobyev, V.; Wang, C. H.; Wang, M.-Z.; Wang, P.; Watanabe, M.; Watanuki, S.; Widmann, E.; Won, E.; Yamashita, Y.; Ye, H.; Yelton, J.; Yuan, C. Z.; Yusa, Y.; Zhang, Z. P.; Zhilich, V.; Zhukova, V.; Zhulanov, V.; Zupanc, A.; Belle Collaboration

2018-01-01

We present the measurement of the absolute branching fractions of B+→Xc c ¯K+ and B+→D¯ (*)0π+ decays, using a data sample of 772 ×106 B B ¯ pairs collected at the ϒ (4 S ) resonance with the Belle detector at the KEKB asymmetric-energy e+e- collider. Here, Xc c ¯ denotes ηc, J /ψ , χc 0, χc 1, ηc(2 S ), ψ (2 S ), ψ (3770 ), X (3872 ), and X (3915 ). We do not observe significant signals for X (3872 ) or X (3915 ) and set the 90% confidence level upper limits at B (B+→X (3872 )K+)<2.6 ×10-4 and B (B+→X (3915 )K+)<2.8 ×10-4 . These represent the most stringent upper limit for B (B+→X (3872 )K+) to date and the first limit for B (B+→X (3915 )K+). The measured branching fractions for ηc and ηc(2 S ) are the most precise to date, B (B+→ηcK+)=(12.0 ±0.8 ±0.7 )×10-4 and B (B+→ηc(2 S )K+)=(4.8 ±1.1 ±0.3 )×10-4 , where the first and second uncertainties are statistical and systematic, respectively.

A quantitative relationship for the shock sensitivities of energetic compounds based on X-NO(2) (X=C, N, O) bond dissociation energy.

PubMed

Li, Jinshan

2010-08-15

The ZPE-corrected X-NO(2) (X=C, N, O) bond dissociation energies (BDEs(ZPE)) of 11 energetic nitrocompounds of different types have been calculated employing density functional theory methods. Computed results show that using the 6-31G** basis set the UB3LYP calculated BDE(ZPE) is less than the UB3P86. For these typical energetic nitrocompounds the shock-initiated pressure (P(98)) is strongly related to the BDE(ZPE) indeed, and a polynomial correlation of ln(P(98)) with the BDE(ZPE) has been established successfully at different density functional theory levels, which provides a method to address the shock sensitivity problem. Copyright 2010 Elsevier B.V. All rights reserved.

Structural, elastic and electronic properties of transition metal carbides ZnC, NbC and their ternary alloys ZnxNb1-xC

NASA Astrophysics Data System (ADS)

Zidi, Y.; Méçabih, S.; Abbar, B.; Amari, S.

2018-02-01

We have investigated the structural, electronic and elastic properties of transition-metal carbides ZnxNb1-xC alloys in the range of 0 ≤ x ≤ 1 using the density functional theory (DFT). The full potential linearized augmented plane wave (FP-LAPW) method within a framework of the generalized gradient approximation (GGA) and GGA + U (where U is the Hubbard correlation terms) approach is used to perform the calculations presented here. The lattice parameters, the bulk modulus, its pressure derivative and the elastic constants were determined. We have obtained Young's modulus, shear modulus, Poisson's ratio, anisotropy factor by the aid of the calculated elastic constants. We discuss the total and partial densities of states and charge densities.

Positive magnetoresistance of La0.7Sr0.3MnO3/C composites

NASA Astrophysics Data System (ADS)

Kabirov, Yu. V.; Gavrilyachenko, V. G.; Bogatin, A. S.

2016-07-01

The perovskite manganite La0.7Sr0.3MnO3 compound is used as a component in ceramic (1-x)(La0.7Sr0.3MnO3)-xC composites at x = 0.15-0.85. It is found that every studied specimen is characterized by the linear dependence of the positive magnetoresistance (PMR) on the magnetic field strength at room temperature. The 0.6(La0.7Sr0.3MnO3)-0.4C composite has the largest magnetoresistance value (15%) at room temperature and intensity of magnetic field H=15kOe. A possible mechanism for the PMR of (1-x)(La0.7Sr0.3MnO3)-xC composites is discussed.

Photoprotection related to xanthophyll cycle pigments in epiphytic orchids acclimated at different light microenvironments in two tropical dry forests of the Yucatan Peninsula, Mexico.

PubMed

de la Rosa-Manzano, Edilia; Andrade, José Luis; García-Mendoza, Ernesto; Zotz, Gerhard; Reyes-García, Casandra

2015-12-01

Epiphytic orchids from dry forests of Yucatán show considerable photoprotective plasticity during the dry season, which depends on leaf morphology and host tree deciduousness. Nocturnal retention of antheraxanthin and zeaxanthin was detected for the first time in epiphytic orchids. In tropical dry forests, epiphytes experience dramatic changes in light intensity: photosynthetic photon flux density may be up to an order of magnitude higher in the dry season compared to the wet season. To address the seasonal changes of xanthophyll cycle (XC) pigments and photosynthesis that occur throughout the year, leaves of five epiphytic orchid species were studied during the early dry, dry and wet seasons in a deciduous and a semi-deciduous tropical forests at two vertical strata on the host trees (3.5 and 1.5 m height). Differences in XC pigment concentrations and photosynthesis (maximum quantum efficiency of photosystem II; F v/F m) were larger among seasons than between vertical strata in both forests. Antheraxanthin and zeaxanthin retention reflected the stressful conditions of the epiphytic microhabitat, and it is described here in epiphytes for the first time. During the dry season, both XC pigment concentrations and photosystem II heat dissipation of absorbed energy increased in orchids in the deciduous forest, while F v/F m and nocturnal acidification (ΔH(+)) decreased, clearly as a response to excessive light and drought. Concentrations of XC pigments were higher than those in orchids with similar leaf shape in semi-deciduous forest. There, only Encyclia nematocaulon and Lophiaris oerstedii showed somewhat reduced F v/F m. No changes in ΔH(+) and F v/F m were detected in Cohniella ascendens throughout the year. This species, which commonly grows in forests with less open canopies, showed leaf tilting that diminished light interception. Light conditions in the uppermost parts of the canopy probably limit the distribution of epiphytic orchids and the retention of zeaxanthin can help to cope with light and drought stress in these forests during the dry season.

Implementation of the 2-D Wavelet Transform into FPGA for Image

NASA Astrophysics Data System (ADS)

León, M.; Barba, L.; Vargas, L.; Torres, C. O.

2011-01-01

This paper presents a hardware system implementation of the of discrete wavelet transform algoritm in two dimensions for FPGA, using the Daubechies filter family of order 2 (db2). The decomposition algorithm of this transform is designed and simulated with the Hardware Description Language VHDL and is implemented in a programmable logic device (FPGA) XC3S1200E reference, Spartan IIIE family, by Xilinx, take advantage the parallels properties of these gives us and speeds processing that can reach them. The architecture is evaluated using images input of different sizes. This implementation is done with the aim of developing a future images encryption hardware system using wavelet transform for security information.

Presence of Extracellular DNA during Biofilm Formation by Xanthomonas citri subsp. citri Strains with Different Host Range.

PubMed

Sena-Vélez, Marta; Redondo, Cristina; Graham, James H; Cubero, Jaime

2016-01-01

Xanthomonas citri subsp. citri (Xcc) A strain causes citrus bacterial canker, a serious leaf, fruit and stem spotting disease of several Citrus species. X. alfalfae subsp. citrumelonis (Xac) is the cause of citrus bacterial spot, a minor disease of citrus nursery plants and X. campestris pv. campestris (Xc) is a systemic pathogen that causes black rot of cabbage. Xanthomonas spp. form biofilms in planta that facilitate the host infection process. Herein, the role of extracellular DNA (eDNA) was evaluated in the formation and stabilization of the biofilm matrix at different stages of biofilm development. Fluorescence and light microscopy, as well as DNAse treatments, were used to determine the presence of eDNA in biofilms and bacterial cultures. DNAse treatments of Xcc strains and Xac reduced biofilm formation at the initial stage of development, as well as disrupted preformed biofilm. By comparison, no significant effect of the DNAse was detected for biofilm formation by Xc. DNAse effects on biofilm formation or disruption varied among Xcc strains and Xanthomonas species which suggest different roles for eDNA. Variation in the structure of fibers containing eDNA in biofilms, bacterial cultures, and in twitching motility was also visualized by microscopy. The proposed roles for eDNA are as an adhesin in the early stages of biofilm formation, as an structural component of mature bacterial aggregates, and twitching motility structures.

Adsorption on hydrophobic porous glass near the liquid/liquid coexistence curve of a binary liquid mixture

NASA Astrophysics Data System (ADS)

Grüll, H.; Woermann, D.

1997-01-01

A differential refractometric method is used to study the temperature and composition dependence of the adsorptive properties of porous glass in 2-butoxyethanol (abbreviated C4E1)/water mixtures. The surface of the adsorbent carries hydrophobic -SiO-C8H17 as well as hydrophilic -SiOH groups. The experiments are carried out close to the liquid/liquid coexistence curve in the vicinity of the lower critical point of the system. Depending on the temperature and composition of the mixtures either C4E1 or water is preferentially adsorbed. There exists a line along which the net adsorption vanishes. For compositions x>xc (x, mole fraction of C4E1; xc, critical composition) the amount of substance of adsorbed water ñ ws(Tp) per unit gram of adsorbent at temperature Tp increases with increasing values of the temperature difference (Tp-Tc) in the range 0 K<(Tp-Tc)<4 K. Tp is the temperature of phase separation of the bulk mixture in the presence of the adsorbent. Beginning at temperatures (Tp-Tc)>4 K the adsorbed amount of substance ñ ws(Tp) decreases. At (Tp-Tc)>8 K it reaches a value which is smaller by a factor of about 10 compared with its maximum value. This phenomenon is reminiscent of a wetting transition.

Corpora lutea in superovulated ewes fed different planes of nutrition.

PubMed

Kraisoon, A; Redmer, D A; Bass, C S; Navanukraw, C; Dorsam, S T; Valkov, V; Reyaz, A; Grazul-Bilska, A T

2018-01-01

The corpus luteum (CL) is an ovarian structure which is critical for the maintenance of reproductive cyclicity and pregnancy support. Diet and/or diet components may affect some luteal functions. FSH is widely used to induce multiple follicle development and superovulation. We hypothesized that FSH would affect luteal function in ewes fed different nutritional planes. Therefore, the aim of this study was to determine if FSH-treatment affects (1) ovulation rate; (2) CL weight; (3) cell proliferation; (4) vascularity; (5) expression of endothelial nitric oxide (eNOS) and soluble guanylate cyclase (sGC) proteins; and (6) luteal and serum progesterone (P4) concentration in control (C), overfed (O), and underfed (U) ewes at the early- and mid-luteal phases. In addition, data generated from this study were compared to data obtained from nonsuperovulated sheep and described by Bass et al. Ewes were categorized by weight and randomly assigned into nutrition groups: C (2.14 Mcal/kg; n = 11), O (2xC; n = 12), and U (0.6xC; n = 11). Nutritional treatment was initiated 60 d prior to day 0 of the estrous cycle. Ewes were injected with FSH on day 13-15 of the first estrous cycle, and blood samples and ovaries were collected at early- and mid-luteal phases of the second estrous cycle. The number of CL/ewe was determined, and CL was dissected and weighed. CL was fixed for evaluation of expression of Ki67 (a proliferating cell marker), CD31 (an endothelial cell marker), and eNOS and sGC proteins using immunohistochemistry and image analysis. From day 0 until tissue collection, C maintained, O gained, and U lost body weight. The CL number was greater (P < 0.03) in C and O than U. Weights of CL, cell proliferation, vascularity, and eNOS but not sGC expression were greater (P < 0.001), and serum, but not luteal tissue, P4 concentrations tended to be greater (P = 0.09) at the early- than mid-luteal phase. Comparisons of CL measurements demonstrated greater (P < 0.01) cell proliferation and serum P4 concentration, but less vascularity at the early and mid-luteal phases, and less CL weight at the mid-luteal phase in superovulated than nonsuperovulated ewes; however, concentration of P4 in luteal tissues was similar in both groups. Thus, in superovulated ewes, luteal cell proliferation and vascularity, expression of eNOS, and serum P4 concentration depend on the stage of luteal development, but not diet. Comparison to control ewes demonstrated several differences and some similarities in luteal functions after FSH-induced superovulation. Copyright © 2017 Elsevier Inc. All rights reserved.

Bringing the cross-correlation method up to date

NASA Technical Reports Server (NTRS)

Statler, Thomas

1995-01-01

The cross-correlation (XC) method of Tonry & Davis (1979, AJ, 84, 1511) is generalized to arbitrary parametrized line profiles. In the new algorithm the correlation function itself, rather than the observed galaxy spectrum, is fitted by the model line profile: this removes much of the complication in the error analysis caused by template mismatch. Like the Fourier correlation quotient (FCQ) method of Bender (1990, A&A, 229, 441), the inferred line profiles are, up to a normalization constant, independent of template mismatch as long as there are no blended lines. The standard reduced chi(exp 2) is a good measure of the fit of the inferred velocity distribution, largely decoupled from the fit of the spectral template. The updated XC method performs as well as other recently developed methods, with the added virtue of conceptual simplicity.

Electrochemical durability of heat-treated carbon nanospheres as catalyst supports for proton exchange membrane fuel cells.

PubMed

Lv, Haifeng; Wu, Peng; Wan, Wei; Mu, Shichun

2014-09-01

Carbon nanospheres is wildly used to support noble metal nanocatalysts in proton exchange membrane (PEM) fuel cells, however they show a low resistance to electrochemical corrosion. In this study, the N-doped treatment of carbon nanospheres (Vulcan XC-72) is carried out in ammonia gas. The effect of heating treatment (up to 1000 degrees C) on resistances to electrochemical oxidation of the N-doped carbon nanospheres (HNC) is investigated. The resistance to electrochemical oxidation of carbon supports and stability of the catalysts are investigated with potentiostatic oxidation and accelerated durability test by simulating PEM fuel cell environment. The HNC exhibit a higher resistance to electrochemical oxidation than traditional Vulcan XC-72. The results show that the N-doped carbon nanospheres have a great potential application in PEM fuel cells.

Lattice and magnetic dynamics in perovskite Y1 -xLaxTiO3

NASA Astrophysics Data System (ADS)

Li, Bing; Louca, Despina; Niedziela, Jennifer; Li, Zongyao; Zhang, Libin; Zhou, Jianshi; Goodenough, John B.

2016-12-01

Inelastic neutron scattering combined with the dynamic pair density function (DPDF) analysis were used to investigate the magnetic and lattice dynamics in the orbitally active Y1 -xLaxTiO3 as it crosses the antiferromagnetic (AFM) to ferromagnetic (FM) phase boundary. Upon doping, the FM state present in YTiO3 is suppressed on approaching a critical concentration of xc˜0.3 in which TC≃0 , and is replaced by the AFM phase of LaTiO3. Below xc, magnetic scattering from spin waves is dominant at low energies. At xc with a TC≃0 , magnetic scattering is also observed and is most likely due to AFM fluctuations. At the same time, local atomic fluctuations extending to 50 meV are observed above and below the magnetic transitions from 0 ≤x ≤1 that show distinct characteristics with x . From Y to La, a clear difference is observed in the phonon density of states as a function of doping as well. At x =0.15 and 0.3, low-energy modes involving predominantly the rare-earth ion become suppressed with increasing temperature, while in x =1 , strong suppression of phonon modes across a wide range in energy is observed above TN. It is likely that in the Y heavy samples, phonon modes below 20 meV have a stronger influence on the orbital excitations, while in LaTiO3, a strong phonon dependence is observed upon cooling up to TN.

On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures.

PubMed

Santra, Biswajit; Klimes, Jirí; Tkatchenko, Alexandre; Alfè, Dario; Slater, Ben; Michaelides, Angelos; Car, Roberto; Scheffler, Matthias

2013-10-21

Density-functional theory (DFT) has been widely used to study water and ice for at least 20 years. However, the reliability of different DFT exchange-correlation (xc) functionals for water remains a matter of considerable debate. This is particularly true in light of the recent development of DFT based methods that account for van der Waals (vdW) dispersion forces. Here, we report a detailed study with several xc functionals (semi-local, hybrid, and vdW inclusive approaches) on ice Ih and six proton ordered phases of ice. Consistent with our previous study [B. Santra, J. Klimeš, D. Alfè, A. Tkatchenko, B. Slater, A. Michaelides, R. Car, and M. Scheffler, Phys. Rev. Lett. 107, 185701 (2011)] which showed that vdW forces become increasingly important at high pressures, we find here that all vdW inclusive methods considered improve the relative energies and transition pressures of the high-pressure ice phases compared to those obtained with semi-local or hybrid xc functionals. However, we also find that significant discrepancies between experiment and the vdW inclusive approaches remain in the cohesive properties of the various phases, causing certain phases to be absent from the phase diagram. Therefore, room for improvement in the description of water at ambient and high pressures remains and we suggest that because of the stern test the high pressure ice phases pose they should be used in future benchmark studies of simulation methods for water.

Controller for the Electronically Scanned Thinned Array Radiometer (ESTAR) instrument

NASA Technical Reports Server (NTRS)

Zomberg, Brian G.; Chren, William A., Jr.

1994-01-01

A prototype controller for the ESTAR (electronically scanned thinned array radiometer) instrument has been designed and tested. It manages the operation of the digital data subsystem (DDS) and its communication with the Small Explorer data system (SEDS). Among the data processing tasks that it coordinates are FEM data acquisition, noise removal, phase alignment and correlation. Its control functions include instrument calibration and testing of two critical subsystems, the output data formatter and Walsh function generator. It is implemented in a Xilinx XC3064PC84-100 field programmable gate array (FPGA) and has a maximum clocking frequency of 10 MHz.

Removal of either N-glycan site from the envelope receptor binding domain of Moloney and Friend but not AKV mouse ecotropic gammaretroviruses alters receptor usage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Knoper, Ryan C.; Ferrarone, John; Yan Yuhe

2009-09-01

Three N-linked glycosylation sites were removed from the envelope glycoproteins of Friend, Moloney, and AKV mouse ecotropic gammaretroviruses: gs1 and gs2, in the receptor binding domain; and gs8, in a region implicated in post-binding cell fusion. Mutants were tested for their ability to infect rodent cells expressing 4 CAT-1 receptor variants. Three mutants (Mo-gs1, Mo-gs2, and Fr-gs1) infect NIH 3T3 and rat XC cells, but are severely restricted in Mus dunni cells and Lec8, a Chinese hamster cell line susceptible to ecotropic virus. This restriction is reproduced in ferret cells expressing M. dunni dCAT-1, but not in cells expressing NIHmore » 3T3 mCAT-1. Virus binding assays, pseudotype assays, and the use of glycosylation inhibitors further suggest that restriction is primarily due to receptor polymorphism and, in M. dunni cells, to glycosylation of cellular proteins. Virus envelope glycan size or type does not affect infectivity. Thus, host range variation due to N-glycan deletion is receptor variant-specific, cell-specific, virus type-specific, and glycan site-specific.« less

Exploring versioned distributed arrays for resilience in scientific applications: Global view resilience

DOE PAGES

Chien, Andrew A.; Balaji, Pavan; Dun, Nan; ...

2016-09-08

Exascale studies project reliability challenges for future HPC systems. We present the Global View Resilience (GVR) system, a library for portable resilience. GVR begins with a subset of the Global Arrays interface, and adds new capabilities to create versions, name versions, and compute on version data. Applications can focus versioning where and when it is most productive, and customize for each application structure independently. This control is portable, and its embedding in application source makes it natural to express and easy to maintain. The ability to name multiple versions and “partially materialize” them efficiently makes ambitious forward-recovery based on “datamore » slices” across versions or data structures both easy to express and efficient. Using several large applications (OpenMC, preconditioned conjugate gradient (PCG) solver, ddcMD, and Chombo), we evaluate the programming effort to add resilience. The required changes are small (< 2% lines of code (LOC)), localized and machine-independent, and perhaps most important, require no software architecture changes. We also measure the overhead of adding GVR versioning and show that overheads < 2% are generally achieved. This overhead suggests that GVR can be implemented in large-scale codes and support portable error recovery with modest investment and runtime impact. Our results are drawn from both IBM BG/Q and Cray XC30 experiments, demonstrating portability. We also present two case studies of flexible error recovery, illustrating how GVR can be used for multi-version rollback recovery, and several different forward-recovery schemes. GVR’s multi-version enables applications to survive latent errors (silent data corruption) with significant detection latency, and forward recovery can make that recovery extremely efficient. Lastly, our results suggest that GVR is scalable, portable, and efficient. GVR interfaces are flexible, supporting a variety of recovery schemes, and altogether GVR embodies a gentle-slope path to tolerate growing error rates in future extreme-scale systems.« less

Exploring versioned distributed arrays for resilience in scientific applications: Global view resilience

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chien, Andrew A.; Balaji, Pavan; Dun, Nan

Exascale studies project reliability challenges for future HPC systems. We present the Global View Resilience (GVR) system, a library for portable resilience. GVR begins with a subset of the Global Arrays interface, and adds new capabilities to create versions, name versions, and compute on version data. Applications can focus versioning where and when it is most productive, and customize for each application structure independently. This control is portable, and its embedding in application source makes it natural to express and easy to maintain. The ability to name multiple versions and “partially materialize” them efficiently makes ambitious forward-recovery based on “datamore » slices” across versions or data structures both easy to express and efficient. Using several large applications (OpenMC, preconditioned conjugate gradient (PCG) solver, ddcMD, and Chombo), we evaluate the programming effort to add resilience. The required changes are small (< 2% lines of code (LOC)), localized and machine-independent, and perhaps most important, require no software architecture changes. We also measure the overhead of adding GVR versioning and show that overheads < 2% are generally achieved. This overhead suggests that GVR can be implemented in large-scale codes and support portable error recovery with modest investment and runtime impact. Our results are drawn from both IBM BG/Q and Cray XC30 experiments, demonstrating portability. We also present two case studies of flexible error recovery, illustrating how GVR can be used for multi-version rollback recovery, and several different forward-recovery schemes. GVR’s multi-version enables applications to survive latent errors (silent data corruption) with significant detection latency, and forward recovery can make that recovery extremely efficient. Lastly, our results suggest that GVR is scalable, portable, and efficient. GVR interfaces are flexible, supporting a variety of recovery schemes, and altogether GVR embodies a gentle-slope path to tolerate growing error rates in future extreme-scale systems.« less

A thermodynamic approach for advanced fuels of gas-cooled reactors

NASA Astrophysics Data System (ADS)

Guéneau, C.; Chatain, S.; Gossé, S.; Rado, C.; Rapaud, O.; Lechelle, J.; Dumas, J. C.; Chatillon, C.

2005-09-01

For both high temperature reactor (HTR) and gas cooled fast reactor (GFR) systems, the high operating temperature in normal and accidental conditions necessitates the assessment of the thermodynamic data and associated phase diagrams for the complex system constituted of the fuel kernel, the inert materials and the fission products. A classical CALPHAD approach, coupling experiments and thermodynamic calculations, is proposed. Some examples of studies are presented leading with the CO and CO 2 gas formation during the chemical interaction of [UO 2± x/C] in the HTR particle, and the chemical compatibility of the couples [UN/SiC], [(U, Pu)N/SiC], [(U, Pu)N/TiN] for the GFR system. A project of constitution of a thermodynamic database for advanced fuels of gas-cooled reactors is proposed.

REVIEWS OF TOPICAL PROBLEMS: Order-disorder transformations and phase equilibria in strongly nonstoichiometric compounds

NASA Astrophysics Data System (ADS)

Gusev, Aleksandr I.

2000-01-01

Data on order-disorder phase transformations in strongly nonstoichiometric carbides and nitrides MXy (X=C, N) of Group IV and V transition metals at temperatures below 1300-1400 K are reviewed. The order-parameter functional method as applied to atomic and vacancy ordering in strongly nonstoichiometric MXy compounds and to phase equilibrium calculations for M-X systems is discussed. Phase diagram calculations for the Ti-C, Zr-C, Hf-C, V-C, Nb-C, Ta-C, Ti-N, and Ti-B-C systems (with the inclusion of the ordering of nonstoichiometric carbides and nitrides) and those for pseudobinary carbide M(1)C-M(2)C systems are presented. Heat capacity, electrical resistivity and magnetic susceptibility changes at reversible order-disorder phase transformations in nonstoichiometric carbides are considered.

Glutamate release from activated microglia requires the oxidative burst and lipid peroxidation.

PubMed

Barger, Steven W; Goodwin, Mary E; Porter, Mandy M; Beggs, Marjorie L

2007-06-01

When activated by proinflammatory stimuli, microglia release substantial levels of glutamate, and mounting evidence suggests this contributes to neuronal damage during neuroinflammation. Prior studies indicated a role for the Xc exchange system, an amino acid transporter that antiports glutamate for cystine. Because cystine is used for synthesis of glutathione (GSH) synthesis, we hypothesized that glutamate release is an indirect consequence of GSH depletion by the respiratory burst, which produces superoxide from NADPH oxidase. Microglial glutamate release triggered by lipopolysaccharide was blocked by diphenylene iodonium chloride and apocynin, inhibitors of NADPH oxidase. This glutamate release was also blocked by vitamin E and elicited by lipid peroxidation products 4-hydroxynonenal and acrolein, suggesting that lipid peroxidation makes crucial demands on GSH. Although NADPH oxidase inhibitors also suppressed nitrite accumulation, vitamin E did not; moreover, glutamate release was largely unaffected by nitric oxide donors, inhibitors of nitric oxide synthase, or changes in gene expression. These findings indicate that a considerable degree of the neurodegenerative consequences of neuroinflammation may result from conversion of oxidative stress to excitotoxic stress. This phenomenon entails a biochemical chain of events initiated by a programmed oxidative stress and resultant mass-action amino acid transport. Indeed, some of the neuroprotective effects of antioxidants may be due to interference with these events rather than direct protection against neuronal oxidation.

Global and local curvature in density functional theory.

PubMed

Zhao, Qing; Ioannidis, Efthymios I; Kulik, Heather J

2016-08-07

Piecewise linearity of the energy with respect to fractional electron removal or addition is a requirement of an electronic structure method that necessitates the presence of a derivative discontinuity at integer electron occupation. Semi-local exchange-correlation (xc) approximations within density functional theory (DFT) fail to reproduce this behavior, giving rise to deviations from linearity with a convex global curvature that is evidence of many-electron, self-interaction error and electron delocalization. Popular functional tuning strategies focus on reproducing piecewise linearity, especially to improve predictions of optical properties. In a divergent approach, Hubbard U-augmented DFT (i.e., DFT+U) treats self-interaction errors by reducing the local curvature of the energy with respect to electron removal or addition from one localized subshell to the surrounding system. Although it has been suggested that DFT+U should simultaneously alleviate global and local curvature in the atomic limit, no detailed study on real systems has been carried out to probe the validity of this statement. In this work, we show when DFT+U should minimize deviations from linearity and demonstrate that a "+U" correction will never worsen the deviation from linearity of the underlying xc approximation. However, we explain varying degrees of efficiency of the approach over 27 octahedral transition metal complexes with respect to transition metal (Sc-Cu) and ligand strength (CO, NH3, and H2O) and investigate select pathological cases where the delocalization error is invisible to DFT+U within an atomic projection framework. Finally, we demonstrate that the global and local curvatures represent different quantities that show opposing behavior with increasing ligand field strength, and we identify where these two may still coincide.

A transthylakoid proton gradient and inhibitors induce a non-photochemical fluorescence quenching in unicellular algae Nannochloropsis sp.

PubMed

Cao, Shaona; Zhang, Xiaowen; Xu, Dong; Fan, Xiao; Mou, Shanli; Wang, Yitao; Ye, Naihao; Wang, Wenqi

2013-05-02

Non-photochemical quenching (NPQ) of chlorophyll fluorescence is thought to be an indicator of an essential regulation and photoprotection mechanism against high-light stress in photosynthetic organisms. In this report, special chemicals were used to perturb the kinetics of the ΔpH build-up and the xanthophyll cycle (XC) in Nannochloropsis sp. We found that NPQ was stimulated rapidly on exposure to high light and relaxed rapidly in darkness. The ΔpH could be obligatory for NPQ and ΔpH alone was not sufficient to induce NPQ. The XC, being strictly mediated by ΔpH, was also essential for NPQ. The results demonstrate that the mechanism of NPQ in Nannochloropsis sp. resembled that of diatoms. Copyright © 2013 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

Penta-P2X (X=C, Si) monolayers as wide-bandgap semiconductors: A first principles prediction

NASA Astrophysics Data System (ADS)

Naseri, Mosayeb; Lin, Shiru; Jalilian, Jaafar; Gu, Jinxing; Chen, Zhongfang

2018-06-01

By means of density functional theory computations, we predicted two novel two-dimensional (2D) nanomaterials, namely P2X (X=C, Si) monolayers with pentagonal configurations. Their structures, stabilities, intrinsic electronic, and optical properties as well as the effect of external strain to the electronic properties have been systematically examined. Our computations showed that these P2C and P2Si monolayers have rather high thermodynamic, kinetic, and thermal stabilities, and are indirect semiconductors with wide bandgaps (2.76 eV and 2.69 eV, respectively) which can be tuned by an external strain. These monolayers exhibit high absorptions in the UV region, but behave as almost transparent layers for visible light in the electromagnetic spectrum. Their high stabilities and exceptional electronic and optical properties suggest them as promising candidates for future applications in UV-light shielding and antireflection layers in solar cells.

Temperature effect on the structural stabilities and electronic properties of X22H28 (X=C, Si and Ge) nanocrystals: A first-principles study

NASA Astrophysics Data System (ADS)

Deng, Xiao-Lin; Zhao, Yu-Jun; Wang, Ya-Ting; Liao, Ji-Hai; Yang, Xiao-Bao

2016-12-01

Based on ab initio molecular dynamic simulations, we have theoretically investigated the structural stabilities and electronic properties of X22H28 (X=C, Si, and Ge) nanocrystals, as a function of temperature with consideration of vibrational entropy effects. To compare the relative stabilities of X22H28 isomers, the vibration free energies are obtained according to the calculated phonon spectrum, where the typical modes are shown to be dominant to the structural stabilities. In addition, there is a significant gap reduction as the temperature increases from 0 K to 300 K, where the decrements are 0.2 /0.5 /0.6eV for C/Si/Ge nanocrystals, respectively. The dependence of energy gap on the variance of bond length is also analyzed according to the corresponding atomic attributions to the HOMO and LUMO levels.

Bioelectrical Impedance Vector Analysis and Muscular Fitness in Healthy Men

PubMed Central

Rodríguez-Rodríguez, Fernando; Cristi-Montero, Carlos; González-Ruíz, Katherine; Correa-Bautista, Jorge Enrique; Ramírez-Vélez, Robinson

2016-01-01

Muscle strength can define the general muscular fitness (MF) measurable through hand-grip strength (HG), which is a factor that relates to the health of people of different ages. In this study we evaluated the muscle strength together with a bioimpedance electric analysis in 223 healthy Colombian adult subjects. The bioelectrical impedance vector analysis (BIVA) was conducted to determine the resistance (R), reactance (Xc) and phase angle (PhA). We classified the subjects into three groups (for tertiles), obtaining lower values of R and Xc in subjects with lower HG, plus a high correlation between PhA and HG. An increase in the level of PhA is associated with a high level of MF in a sample of healthy Latin American adult men. The BIVA’s parameters and PhA are a potentially effective preventive measure to be integrated into routine screening in the clinical setting. PMID:27384579

Characterization of doped hydrogenated nanocrystalline silicon films prepared by plasma enhanced chemical vapour deposition

NASA Astrophysics Data System (ADS)

Wang, Jin-Liang; Wu, Er-Xing

2007-03-01

The B- and P-doped hydrogenated nanocrystalline silicon films (nc-Si:H) are prepared by plasma-enhanced chemical vapour deposition (PECVD). The microstructures of doped nc-Si:H films are carefully and systematically characterized by using high resolution electron microscopy (HREM), Raman scattering, x-ray diffraction (XRD), Auger electron spectroscopy (AES), and resonant nucleus reaction (RNR). The results show that as the doping concentration of PH3 increases, the average grain size (d) tends to decrease and the crystalline volume percentage (Xc) increases simultaneously. For the B-doped samples, as the doping concentration of B2H6 increases, no obvious change in the value of d is observed, but the value of Xc is found to decrease. This is especially apparent in the case of heavy B2H6 doped samples, where the films change from nanocrystalline to amorphous.

Effects of ion irradiation on the mechanical properties of SiNa wO xC yH z sol-gel derived thin films

NASA Astrophysics Data System (ADS)

Lucca, D. A.; Qi, Y.; Harriman, T. A.; Prenzel, T.; Wang, Y. Q.; Nastasi, M.; Dong, J.; Mehner, A.

2010-10-01

A study of the effects of ion irradiation of hybrid organic/inorganic modified silicate thin films on their mechanical properties is presented. NaOH catalyzed SiNa wO xC yH z thin films were synthesized by sol-gel processing from tetraethylorthosilicate (TEOS) and methyltriethoxysilane (MTES) precursors and spin-coated onto Si substrates. After drying at 300 °C, the films were irradiated with 125 keV H + or 250 keV N 2+ at fluences ranging from 1 × 10 14 to 2.5 × 10 16 ions/cm 2. Nanoindentation was used to characterize the films. Changes in hardness and reduced elastic modulus were examined as a function of ion fluence and irradiating species. The resulting increases in hardness and reduced elastic modulus are compared to similarly processed acid catalyzed silicate thin films.

Prediction of beef carcass salable yield and trimmable fat using bioelectrical impedance analysis.

PubMed

Zollinger, B L; Farrow, R L; Lawrence, T E; Latman, N S

2010-03-01

Bioelectrical impedance technology (BIA) is capable of providing an objective method of beef carcass yield estimation with the rapidity of yield grading. Electrical resistance (Rs), reactance (Xc), impedance (I), hot carcass weight (HCW), fat thickness between the 12th and 13th ribs (FT), estimated percentage kidney, pelvic, and heart fat (KPH%), longissimus muscle area (LMA), length between electrodes (LGE) as well as three derived carcass values that included electrical volume (EVOL), reactive density (XcD), and resistive density (RsD) were determined for the carcasses of 41 commercially fed cattle. Carcasses were subsequently fabricated into salable beef products reflective of industry standards. Equations were developed to predict percentage salable carcass yield (SY%) and percentage trimmable fat (FT%). Resulting equations accounted for 81% and 84% of variation in SY% and FT%, respectively. These results indicate that BIA technology is an accurate predictor of beef carcass composition. Copyright 2009 Elsevier Ltd. All rights reserved.

Transient electronic anisotropy in overdoped NaF e1 -xC oxAs superconductors

NASA Astrophysics Data System (ADS)

Liu, Shenghua; Zhang, Chunfeng; Deng, Qiang; Wen, Hai-hu; Li, Jian-xin; Chia, Elbert E. M.; Wang, Xiaoyong; Xiao, Min

2018-01-01

By combining polarized pump-probe spectroscopic and Laue x-ray diffraction measurements, we have observed nonequivalent transient optical responses with the probe beam polarized along the x and y axes in overdoped NaF e1 -xC oxAs superconductors. Such transient anisotropic behavior has been uncovered in the tetragonal phase with the doping level and temperature range far from the borders of static nematic phases. The measured transient anisotropy can be well explained as a result of nematic fluctuation driven by an orbital order with energy splitting of the dx z- and dy z-dominant bands. In addition, the doping level dependence and the pressure effect of the crossover temperature show significant differences between the transient nematic fluctuation and static nematic phase, implying spin and orbital orders may play different roles in static and transient nematic behaviors.

A Deep Extragalactic Survey with the ART-XC Telescope of the Spectrum-RG Observatory: Simulations and Expected Results

NASA Astrophysics Data System (ADS)

Mereminskiy, I. A.; Filippova, E. V.; Burenin, R. A.; Sazonov, S. Yu.; Pavlinsky, M. N.; Tkachenko, A. Yu.; Lapshov, I. Yu.; Shtykovskiy, A. E.; Krivonos, R. A.

2018-02-01

To choose the best strategy for conducting a deep extragalactic survey with the ART-XC X-ray telescope onboard the Spectrum-Röntgen-Gamma (SRG) observatory and to estimate the expected results, we have simulated the observations of a 1.1° × 1.1° field in the 5-11 and 8-24 keV energy bands. For this purpose, we have constructed a model of the active galactic nuclei (AGN) population that reflects the properties of the X-ray emission from such objects. The photons that "arrived" from these sources were passed through a numerical model of the telescope, while the resulting data were processed with the standard ART-XC data processing pipeline. We show that several hundred AGNs at redshifts up to z ≈ 3 will be detected in such a survey over 1.2 Ms of observations with the expected charged particle background levels. Among them there will be heavily obscured AGNs, which will allow a more accurate estimate of the fraction of such objects in the total population to be made. Source confusion is expected at fluxes below 2 × 10-14 erg s-1 cm-2 (5-11 keV). Since this value can exceed the source detection threshold in a deep survey at low particle background levels, it may turn out to be more interesting to conduct a survey of larger area (several square degrees) but smaller depth, obtaining a sample of approximately four hundred bright AGNs as a result.

77 FR 63296 - Fisheries of the Northeast Region

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-16

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC159 Fisheries of the Northeast Region AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and... rebuilding the affected fish stocks. NMFS notifies the appropriate fishery management council (Council...

Parallel Fixed Point Implementation of a Radial Basis Function Network in an FPGA

PubMed Central

de Souza, Alisson C. D.; Fernandes, Marcelo A. C.

2014-01-01

This paper proposes a parallel fixed point radial basis function (RBF) artificial neural network (ANN), implemented in a field programmable gate array (FPGA) trained online with a least mean square (LMS) algorithm. The processing time and occupied area were analyzed for various fixed point formats. The problems of precision of the ANN response for nonlinear classification using the XOR gate and interpolation using the sine function were also analyzed in a hardware implementation. The entire project was developed using the System Generator platform (Xilinx), with a Virtex-6 xc6vcx240t-1ff1156 as the target FPGA. PMID:25268918

Scalable nuclear density functional theory with Sky3D

NASA Astrophysics Data System (ADS)

Afibuzzaman, Md; Schuetrumpf, Bastian; Aktulga, Hasan Metin

2018-02-01

In nuclear astrophysics, quantum simulations of large inhomogeneous dense systems as they appear in the crusts of neutron stars present big challenges. The number of particles in a simulation with periodic boundary conditions is strongly limited due to the immense computational cost of the quantum methods. In this paper, we describe techniques for an efficient and scalable parallel implementation of Sky3D, a nuclear density functional theory solver that operates on an equidistant grid. Presented techniques allow Sky3D to achieve good scaling and high performance on a large number of cores, as demonstrated through detailed performance analysis on a Cray XC40 supercomputer.

Electronic structure properties of UO2 as a Mott insulator

NASA Astrophysics Data System (ADS)

Sheykhi, Samira; Payami, Mahmoud

2018-06-01

In this work using the density functional theory (DFT), we have studied the structural, electronic and magnetic properties of uranium dioxide with antiferromagnetic 1k-, 2k-, and 3k-order structures. Ordinary approximations in DFT, such as the local density approximation (LDA) or generalized gradient approximation (GGA), usually predict incorrect metallic behaviors for this strongly correlated electron system. Using Hubbard term correction for f-electrons, LDA+U method, as well as using the screened Heyd-Scuseria-Ernzerhof (HSE) hybrid functional for the exchange-correlation (XC), we have obtained the correct ground-state behavior as an insulator, with band gaps in good agreement with experiment.

78 FR 56658 - Pacific Fishery Management Council (Pacific Council); Public Meeting

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... BE-125: Quarterly Survey of Transactions in Selected Services and Intellectual Property With Foreign... Services and Intellectual Property with Foreign Persons (BE- 125). This mandatory survey is conducted under... covered services or intellectual property to foreign persons that exceeded $6 million for the previous...

77 FR 58812 - Endangered Species; File No. 17316

Federal Register 2010, 2011, 2012, 2013, 2014

2012-09-24

..., importing, and exporting of endangered and threatened species (50 CFR 222-226). The applicant proposes to... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC252 Endangered Species; File No. 17316 AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric...

78 FR 48421 - Mid-Atlantic Fishery Management Council (MAFMC); Public Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-08

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC797 Mid-Atlantic Fishery Management Council (MAFMC); Public Meeting AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric Administration (NOAA), Commerce. ACTION: Notice of public meeting. SUMMARY...

78 FR 53731 - Mid-Atlantic Fishery Management Council (MAFMC); Public Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-30

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC838 Mid-Atlantic Fishery Management Council (MAFMC); Public Meeting AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric Administration (NOAA), Commerce. ACTION: Notice of public meeting. SUMMARY...

78 FR 48419 - Mid-Atlantic Fishery Management Council (MAFMC); Public Meeting

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2013-08-08

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC798 Mid-Atlantic Fishery Management Council (MAFMC); Public Meeting AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric Administration (NOAA), Commerce. ACTION: Notice of public meeting. SUMMARY...

77 FR 63296 - Marine Mammals; File No. 17115

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-16

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC100 Marine Mammals; File No. 17115 AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric... permit has been issued to James Lloyd-Smith, Department of Ecology and Evolutionary Biology, University...

78 FR 14984 - Marine Mammals; File No. 17411

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2013-03-08

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC541 Marine Mammals; File No. 17411 AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric.... Jennifer Burns, University of Alaska Anchorage, Biology Department, Anchorage, AK, has applied in due form...

78 FR 56219 - Marine Mammals; File No. 17115

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2013-09-12

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC100 Marine Mammals; File No. 17115 AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric... of Ecology and Evolutionary Biology, University of California, Los Angeles, 610 Charles E. Young Dr...

78 FR 15933 - Marine Mammals; File No. 17952

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2013-03-13

... Daniel P. Costa, Ph.D., Department of Biology and Institute of Marine Sciences, University of California... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC554 Marine Mammals; File No. 17952 AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric...

78 FR 34653 - Endangered and Threatened Species; Take of Anadromous Fish

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2013-06-10

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77 FR 60966 - Marine Mammals; File No. 16239

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2012-10-05

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC268 Marine Mammals; File No. 16239 AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric Administration (NOAA), Commerce. ACTION: Notice; receipt of application. SUMMARY: Notice is hereby given that Dan...

77 FR 45592 - Marine Mammals; File No. 17157

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2012-08-01

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC033 Marine Mammals; File No. 17157 AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric... to receive, import and export marine mammal parts for scientific research. ADDRESSES: The permit and...

77 FR 54902 - Marine Mammals; File No. 17278

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2012-09-06

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC095 Marine Mammals; File No. 17278 AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric... Division, Office of Protected Resources, National Marine Fisheries Service. [FR Doc. 2012-21980 Filed 9-5...

Describing excited state relaxation and localization in TiO 2 nanoparticles using TD-DFT

DOE PAGES

Berardo, Enrico; Hu, Han -Shi; van Dam, Hubertus J. J.; ...

2014-02-26

We have investigated the description of excited state relaxation in naked and hydrated TiO 2 nanoparticles using Time-Dependent Density Functional Theory (TD-DFT) with three common hybrid exchange-correlation (XC) potentials; B3LYP, CAM-B3LYP and BHLYP. Use of TD-CAM-B3LYP and TD-BHLYP yields qualitatively similar results for all structures, which are also consistent with predictions of coupled cluster theory for small particles. TD-B3LYP, in contrast, is found to make rather different predictions; including apparent conical intersections for certain particles that are not observed with TD-CAM-B3LYP nor with TD-BHLYP. In line with our previous observations for vertical excitations, the issue with TD-B3LYP appears to bemore » the inherent tendency of TD-B3LYP, and other XC potentials with no or a low percentage of Hartree-Fock Like Exchange, to spuriously stabilize the energy of charge-transfer (CT) states. Even in the case of hydrated particles, for which vertical excitations are generally well described with all XC potentials, the use of TD-B3LYP appears to result in CT-problems for certain particles. We hypothesize that the spurious stabilization of CT-states by TD-B3LYP even may drive the excited state optimizations to different excited state geometries than those obtained using TD-CAM-B3LYP or TD-BHLYP. In conclusion, focusing on the TD-CAM-B3LYP and TD-BHLYP results, excited state relaxation in naked and hydrated TiO 2 nanoparticles is predicted to be associated with a large Stokes’ shift.« less

The protonated 2-halogenated imidazolium cation as the noncovalent interaction donor: the σ-hole and π-hole interactions.

PubMed

Wang, Jingjing; Mo, Lixin; Li, Xiaoyan; Geng, Zongke; Zeng, Yanli

2016-12-01

The σ-hole and π-hole of the protonated 2-halogenated imidazolium cation (XC 3 H 4 N 2 + ; X = F, Cl, Br, I) were investigated and analyzed. The monomers of (CH 3 ) 3 SiY(Y=F, Cl, Br, I), considered as the Lewis base, were combined with the σ-hole and π-hole of XC 3 H 4 N 2 + to form the σ-hole and π-hole interactions in the bimolecular complexes (CH 3 ) 3 SiY · · · XC 3 H 4 N 2 + and (CH 3 ) 3 SiY · · · C 3 (X)H 4 N 2 + (X/Y=F, Cl, Br, I), respectively. For both the σ-hole and π-hole interactions, the equilibrium geometries of complexes show regular changes according to the sequence of heavy sequence of the noncovalent interaction acceptors and donors. The electrostatic energy is the main contribution in the formation of both kinds of interactions, it has linear relations with the V S,max values of σ-hole and the V' S,max values of π-hole. Both the σ-hole and π-hole interactions belong to the closed-shell and noncovalent interactions. The π-hole interactions are stronger than the σ-hole interactions. For the π-hole interactions, the contribution percents of the dispersion energies are somewhat greater than those of the σ-hole interactions, while it is contrary for the polarization energy. Graphical Abstract The protonated 2-halogenated imidazolium cation as the noncovalent interaction donor: the σ-hole and π-hole interactionsᅟ.

Determination of saleable product in finished cattle and beef carcasses utilizing bioelectrical impedance technology.

PubMed

Marchello, M J; McLennan, J E; Dhuyvetter, D V; Slanger, W D

1999-11-01

Two experiments were performed to develop prediction equations of saleable beef and to validate the prediction equations. In Exp. 1, 50 beef cattle were finished to typical slaughter weights, and multiple linear regression equations were developed to predict kilograms of trimmed boneless, retail product of live cattle, and hot and cold carcasses. A four-terminal bioelectrical impedance analyzer (BIA) was used to measure resistance (Rs) and reactance (Xc) on each animal and processed carcass. The IMPS cuts plus trim were weighed and recorded. Distance between detector terminals (Lg) and carcass temperature (Tp) at time of BIA readings were recorded. Other variables included live weight (BW), hot carcass weight (HCW), cold carcass weight (CCW), and volume (Lg2/Rs). Regression equations for predicting kilograms of saleable product were [11.87 + (.409 x BW) - (.335 x Lg) + (.0518 x volume)] for live (R2 = .80); [-58.83 + (.589 x HCW) - (.846 x Rs) + (1.152 x Xc) + (.142 x Lg) + (2.608 x Tp)] for hot carcass (R2 = .95); and [32.15 + (.633 x CCW) + (.33 x Xc) - (.83 x Lg) + (.677 x volume)] for cold carcass (R2 = .93). In Exp. 2, 27 beef cattle were finished in a manner similar to Exp. 1, and the prediction equations from Exp. 1 were used to predict the saleable product of these animals. The Pearson correlations between actual saleable product and the predictions based on live and cold carcass data were .91 and .95, respectively. The Spearman and Kendall rank correlations were .95 and .83, respectively, for the cold carcass data. These results provide a practical application of bioelectrical impedance for market-based pricing. They complement previous studies that assessed fat-free mass.

The properties of the Lewis acid-base complexes of boron trifluoride with some carbon dioxide analogues. An ab initio study

NASA Astrophysics Data System (ADS)

Ford, Thomas A.

2017-07-01

The properties of nine binary Lewis acid-base complexes, formed between boron trifluoride, on the one hand, and the carbon dioxide analogues XCY (X, Y = O, S, Se) on the other, have been investigated by means of ab initio calculations. The properties of most interest are the structures, the interaction energies, the vibrational spectra and the natural orbital population changes. The structures of the complexes bound through either a sulphur or a selenium atom are remarkably similar, and feature a FB … XC fragment in a trans arrangement, with FB … X and B … XC angles close to 90°. The adducts bound through oxygen have quite different structures, with a B … OC angle close to 150° in the case of BF3·OCO and with linear B … OCS and B … OCSe moieties in the other two cases. The binding energies of all nine complexes span a very narrow range, and are all less than 10 kJ mol-1. The changes of the intramolecular BF, XC and CY bond lengths are small, but they vary in a systematic way with the strength of interaction. The wavenumber shifts of the modes of the BF3 and XCY fragments are also fairly insignificant, except for the symmetric bending mode of the BF3 molecule, where the shifts are found to be in the range from -20 to -40 cm-1. The similarities and differences in the properties of the three families of adducts have been rationalized by reference to the redistribution of the natural orbital populations resulting from complex formation.

West Valley feasibility study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pirro, J.

This report presents the results of a technical assessment of decontamination alternative prepared for the Western New York Nuclear Service Center (WNYNSC). The purpose of the assessment is to determine the recommended method for decontamination of cell surfaces and decontamination and removal of fuel reprocessing cell equipment to permit manual entry into the cells for the installation of waste solidification equipment. The primary cells of interest are the PMC, GPC, and CPC because they offer the largest usable volume for the solidification program. The secondary cells include XC-1, XC-2, XC-3 and the PPC which may be needed to support themore » solidification program. Five decontamination assessments were evaluated (A-E). The assessments included the estimated cost, occupational exposure, duration, manpower, waste volume generated, and final cell radiation levels achieved with the alternative decontamination methods. The methods varied from thorough destructive decontamination to equipment removal without decontamination followed by cell wall and floor decontamination. The recommended method for the primary cells is to utilize the remote manipulators and cranes to the maximum extent possible to decontaminate equipment and cell surfaces remotely, and to remove the equipment for temporary on-site storage. The recommended method for secondary cell decontamination is to remotely decontaminate the cells to the maximum extent possible prior to manned entry for contact-removal of the fuel reprocessing equipment (Assessment D). Assessment A is expected to cost $8,713,500 in 1980 dollars (including a 25% contingency) and will result in an occupational exposure of 180.3 manRem. Assessment D is expected to cost $11,039,800 and will result in an occupational exposure of 259 manRems.« less

Anticancer effects of phenoxazine derivatives revealed by inhibition of cell growth and viability, disregulation of cell cycle, and apoptosis induction in HTLV-1-positive leukemia cells.

PubMed

Miyano-Kurosaki, Naoko; Ikegami, Kou; Kurosaki, Kunihiko; Endo, Takahiko; Aoyagi, Hoshimi; Hanami, Mari; Yasumoto, Jun; Tomoda, Akio

2009-05-01

Adult T-cell leukemia (ATL) is a malignant tumor of human CD4(+) T cells infected with a human retrovirus, T lymphotropic virus type-1 (HTLV-1). The aim of the present study was to investigate the apoptotic effects of phenoxazines, 2-amino-4,4alpha-dihydro-4alpha,7-dimethyl-3H-phenoxazine-3-one (Phx-1), 3-amino-1,4alpha-dihydro-4alpha,8-dimethyl-2H-phenoxazine-2-one (Phx-2), and 2-aminophenoxazine-3-one (Phx-3) on a T cell leukemia cell line from ATL patients, MT-1 cells; HTLV-1 transformed T-cell lines, HUT-102 cells and MT-2 cells; and an HTLV-1-negative rat sarcoma cell line, XC cells. Among these phenoxazines, Phx-3 at concentrations of less than 10 microg/ml extensively inhibited growth and cell viability; arrested cell cycles at sub G(0)/G(1) phase; and augmented apoptosis of MT-1, HUT-102, and MT-2 cells. However, these phenoxazines did not affect the cell viability of an HTLV-1-negative rat sarcoma cell line, XC cells, and phytohemaggutinin-activated human peripheral blood mononuclear cells, although they markedly inhibited the growth of these cells. The transmission of HTLV-1 from HTLV-1-positive cells (MT-2 cells) to HTLV-1-negative cells (XC cells) was considered to be prevented by Phx-1, Phx-2, or Phx-3 because the syncytium formation between these cells was inhibited markedly in the presence of these phenoxazines. The present results suggest that Phx-1, Phx-2, and, in particular, Phx-3 may be useful as therapeutic agents against ATL, which is extremely refractory to current therapies.

Describing excited state relaxation and localization in TiO 2 nanoparticles using TD-DFT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berardo, Enrico; Hu, Han -Shi; van Dam, Hubertus J. J.

We have investigated the description of excited state relaxation in naked and hydrated TiO 2 nanoparticles using Time-Dependent Density Functional Theory (TD-DFT) with three common hybrid exchange-correlation (XC) potentials; B3LYP, CAM-B3LYP and BHLYP. Use of TD-CAM-B3LYP and TD-BHLYP yields qualitatively similar results for all structures, which are also consistent with predictions of coupled cluster theory for small particles. TD-B3LYP, in contrast, is found to make rather different predictions; including apparent conical intersections for certain particles that are not observed with TD-CAM-B3LYP nor with TD-BHLYP. In line with our previous observations for vertical excitations, the issue with TD-B3LYP appears to bemore » the inherent tendency of TD-B3LYP, and other XC potentials with no or a low percentage of Hartree-Fock Like Exchange, to spuriously stabilize the energy of charge-transfer (CT) states. Even in the case of hydrated particles, for which vertical excitations are generally well described with all XC potentials, the use of TD-B3LYP appears to result in CT-problems for certain particles. We hypothesize that the spurious stabilization of CT-states by TD-B3LYP even may drive the excited state optimizations to different excited state geometries than those obtained using TD-CAM-B3LYP or TD-BHLYP. In conclusion, focusing on the TD-CAM-B3LYP and TD-BHLYP results, excited state relaxation in naked and hydrated TiO 2 nanoparticles is predicted to be associated with a large Stokes’ shift.« less

Dexamethasone Alleviates Tumor-Associated Brain Damage and Angiogenesis

PubMed Central

Fan, Zheng; Sehm, Tina; Rauh, Manfred; Buchfelder, Michael

2014-01-01

Children and adults with the most aggressive form of brain cancer, malignant gliomas or glioblastoma, often develop cerebral edema as a life-threatening complication. This complication is routinely treated with dexamethasone (DEXA), a steroidal anti-inflammatory drug with pleiotropic action profile. Here we show that dexamethasone reduces murine and rodent glioma tumor growth in a concentration-dependent manner. Low concentrations of DEXA are already capable of inhibiting glioma cell proliferation and at higher levels induce cell death. Further, the expression of the glutamate antiporter xCT (system Xc −; SLC7a11) and VEGFA is up-regulated after DEXA treatment indicating early cellular stress responses. However, in human gliomas DEXA exerts differential cytotoxic effects, with some human glioma cells (U251, T98G) resistant to DEXA, a finding corroborated by clinical data of dexamethasone non-responders. Moreover, DEXA-resistant gliomas did not show any xCT alterations, indicating that these gene expressions are associated with DEXA-induced cellular stress. Hence, siRNA-mediated xCT knockdown in glioma cells increased the susceptibility to DEXA. Interestingly, cell viability of primary human astrocytes and primary rodent neurons is not affected by DEXA. We further tested the pharmacological effects of DEXA on brain tissue and showed that DEXA reduces tumor-induced disturbances of the microenvironment such as neuronal cell death and tumor-induced angiogenesis. In conclusion, we demonstrate that DEXA inhibits glioma cell growth in a concentration and species-dependent manner. Further, DEXA executes neuroprotective effects in brains and reduces tumor-induced angiogenesis. Thus, our investigations reveal that DEXA acts pleiotropically and impacts tumor growth, tumor vasculature and tumor-associated brain damage. PMID:24714627

78 FR 60254 - Endangered and Threatened Species; Take of Anadromous Fish

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-01

... knowledge of species listed under the Endangered Species Act (ESA) and to help guide management and...: September 26, 2013. Angela Somma, Chief, Endangered Species Division, Office of Protected Resources... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC896 Endangered...

78 FR 62587 - New England Fishery Management Council; Public Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-22

... prepare a work plan regarding how the New England Fishery Management Council (Council) may proceed in... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC923 New England... Oceanic and Atmospheric Administration (NOAA), Commerce. ACTION: Notice; public meeting. SUMMARY: The New...

78 FR 64198 - Fisheries of the Northeastern United States; Tilefish Fishery; 2014 Tilefish Fishing Quota...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-28

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC887 Fisheries of the Northeastern United States; Tilefish Fishery; 2014 Tilefish Fishing Quota Specification AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric Administration (NOAA), Commerce...

Outdoor Recreation and Adventure Tourism: Unique but Allied Industries

ERIC Educational Resources Information Center

Bailey, Andrew W.; Kang, H. K.; Lewis, T. Grant

2017-01-01

Outdoor recreation and adventure tourism are overlapping industries serving similar clientele. While descriptive marketing research exists for both industries (George Washington University School of Business [GW], Adventure Travel Trade Association [ATTA], & Xola Consulting [XC], 2010; Outdoor Foundation [OF], 2014), there is no clear…

78 FR 21347 - Marine Mammals; File No. 17344

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-10

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC588 Marine Mammals; File No. 17344 AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric... Samuel Wasser, Ph.D., University of Washington, Department of Biology, P.O. Box 351800, Seattle, WA 98195...

78 FR 37796 - Marine Mammals; File No. 17952

Federal Register 2010, 2011, 2012, 2013, 2014

2013-06-24

... permit has been issued to Daniel P. Costa, Ph.D., Department of Biology and Institute of Marine Sciences... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC554 Marine Mammals; File No. 17952 AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric...

78 FR 54399 - Fisheries of the Northeastern United States; Bluefish Fishery; Quota Transfer

Federal Register 2010, 2011, 2012, 2013, 2014

2013-09-04

.... 130104009-3416-02] RIN 0648-XC815 Fisheries of the Northeastern United States; Bluefish Fishery; Quota Transfer AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric Administration...: Carly Bari, Fishery Management Specialist, 978-281-9224. SUPPLEMENTARY INFORMATION: Regulations...

77 FR 58969 - Fisheries of the Northeastern United States; Bluefish Fishery; Quota Transfer

Federal Register 2010, 2011, 2012, 2013, 2014

2012-09-25

.... 120201086-2418-02] RIN 0648-XC235 Fisheries of the Northeastern United States; Bluefish Fishery; Quota Transfer AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric Administration...: Carly Bari, Fishery Management Specialist, 978-281-9224. SUPPLEMENTARY INFORMATION: Regulations...

78 FR 6298 - Endangered and Threatened Species; Take of Anadromous Fish; Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2013-01-30

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC424 Endangered and Threatened Species; Take of Anadromous Fish; Correction AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric Administration (NOAA), Commerce. ACTION: Notice of receipt of a...

77 FR 67796 - Endangered and Threatened Species; Take of Anadromous Fish

Federal Register 2010, 2011, 2012, 2013, 2014

2012-11-14

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC342 Endangered and Threatened Species; Take of Anadromous Fish AGENCY: National Marine Fisheries Service (NMFS... NMFS regulations governing listed fish and wildlife permits (50 CFR parts 222-226). Those individuals...

78 FR 7755 - Marine Mammals; File No. 17754

Federal Register 2010, 2011, 2012, 2013, 2014

2013-02-04

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC477 Marine Mammals; File No. 17754 AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric... Protected Resources, National Marine Fisheries Service. [FR Doc. 2013-02235 Filed 2-1-13; 8:45 am] BILLING...

78 FR 28809 - Marine Mammals; File No. 17410

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-16

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC210 Marine Mammals; File No. 17410 AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric..., productivity, feeding habits, and health status of marine mammals. No takes of live animals are authorized. The...

78 FR 39713 - Marine Mammals; File No. 17751

Federal Register 2010, 2011, 2012, 2013, 2014

2013-07-02

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC580 Marine Mammals; File No. 17751 AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric..., Office of Protected Resources, National Marine Fisheries Service. [FR Doc. 2013-15750 Filed 7-1-13; 8:45...

Citric acid functionalized carbon materials for fuel cell applications

NASA Astrophysics Data System (ADS)

Poh, Chee Kok; Lim, San Hua; Pan, Hui; Lin, Jianyi; Lee, Jim Yang

Carbon materials can be easily functionalized using citric acid (CA) treatment. The CA modification of carbon materials is both simple and effective. It requires no prolonged heating, filtration and washing, and produces more functional groups such as carboxyl and hydroxide on CA-modified carbon nanotubes and XC72 carbon blacks than on HNO 3-H 2SO 4 oxidized carbon nanotubes and as-purchased XC72. Platinum nanoparticles are deposited on these functionalized carbon materials by means of a microwave-assisted polyol process. The investigations using TEM, XRD, FTIR and TGA indicate that CA modification creates more functional groups and thus deposits more Pt nanoparticles with smaller average particle size on the surface of carbon materials. Electrochemical studies of the Pt/C samples for methanol oxidation reveal higher activity for Pt on CA-modified carbon materials. It is therefore considered that this method can find important applications in reducing the cost and improving performance of proton-exchange membrane fuel cells.

Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions.

PubMed

Karasiev, Valentin V; Dufty, James W; Trickey, S B

2018-02-16

Realizing the potential for predictive density functional calculations of matter under extreme conditions depends crucially upon having an exchange-correlation (XC) free-energy functional accurate over a wide range of state conditions. Unlike the ground-state case, no such functional exists. We remedy that with systematic construction of a generalized gradient approximation XC free-energy functional based on rigorous constraints, including the free-energy gradient expansion. The new functional provides the correct temperature dependence in the slowly varying regime and the correct zero-T, high-T, and homogeneous electron gas limits. Its accuracy in the warm dense matter regime is attested by excellent agreement of the calculated deuterium equation of state with reference path integral Monte Carlo results at intermediate and elevated T. Pressure shifts for hot electrons in compressed static fcc Al and for low-density Al demonstrate the combined magnitude of thermal and gradient effects handled well by this functional over a wide T range.

Cathode catalyst for primary phosphoric fuel cells

NASA Technical Reports Server (NTRS)

Walsh, F.

1980-01-01

Alkylation of Vulcan XC-72 provided the most stable bond type for linking CoTAA to the surface of the carbon; this result is based on data obtained by cyclic voltammetry, pulse voltammetry and by release of 14C from bonded CoTAA. Half-cell tests at 100 C in 85% phosphoric acid showed that CoTAA bonded to the surface of carbon (Vulcan XC-72) via an alkylation procedure is a more active catalyst than is platinum based on a factor of two improvement in Tafel slope; dimeric CoTAA has catalytic activity equal to platinum. Half-cell tests also showed that bonded CoTAA catalysts do not suffer a loss in potential when air is used as a fuel rather than oxygen. Commercially available PTFE was shown to be stable for four months in 200 C 85% phosphoric acid based on lack of change in surface wetting properties, IR and physical characteristics. When stressed electrochemically in 150 C 85% phosphoric acid, PTFE also showed no changes after one month.

FPGA implementation of neuro-fuzzy system with improved PSO learning.

PubMed

Karakuzu, Cihan; Karakaya, Fuat; Çavuşlu, Mehmet Ali

2016-07-01

This paper presents the first hardware implementation of neuro-fuzzy system (NFS) with its metaheuristic learning ability on field programmable gate array (FPGA). Metaheuristic learning of NFS for all of its parameters is accomplished by using the improved particle swarm optimization (iPSO). As a second novelty, a new functional approach, which does not require any memory and multiplier usage, is proposed for the Gaussian membership functions of NFS. NFS and its learning using iPSO are implemented on Xilinx Virtex5 xc5vlx110-3ff1153 and efficiency of the proposed implementation tested on two dynamic system identification problems and licence plate detection problem as a practical application. Results indicate that proposed NFS implementation and membership function approximation is as effective as the other approaches available in the literature but requires less hardware resources. Copyright © 2016 Elsevier Ltd. All rights reserved.

78 FR 68819 - Final NOAA Procedures for Government-to-Government Consultation With Federally Recognized Indian...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-15

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC726 Final NOAA... Native Corporations AGENCY: National Oceanic and Atmospheric Administration (NOAA), Commerce. ACTION: Notice of Final Handbook. SUMMARY: In compliance with Executive Order (E.O.) 13175, ``Consultation and...

77 FR 58812 - Endangered Species; File No. 16733

Federal Register 2010, 2011, 2012, 2013, 2014

2012-09-24

.... SUPPLEMENTARY INFORMATION: The subject permit is requested under the authority of the Endangered Species Act of... exporting of endangered and threatened species (50 CFR 222-226). The SEFSC requests a five-year permit to... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC253 Endangered...

78 FR 17355 - Endangered Species; File No. 17787

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-21

.... SUPPLEMENTARY INFORMATION: The subject permit is requested under the authority of the Endangered Species Act of... exporting of endangered and threatened species (50 CFR parts 222-226). The applicant proposes to gather life... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC576 Endangered...

78 FR 39258 - Endangered Species; File No. 18069

Federal Register 2010, 2011, 2012, 2013, 2014

2013-07-01

.... SUPPLEMENTARY INFORMATION: The subject permit is requested under the authority of the Endangered Species Act of... exporting of endangered and threatened species (50 CFR parts 222-226). The applicant requests a five-year... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC725 Endangered...

78 FR 37795 - Draft NOAA Procedures for Government to Government Consultation With Federally Recognized Indian...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-06-24

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC726 Draft NOAA... Oceanic and Atmospheric Administration (NOAA), Commerce. ACTION: Notice; request for comments. SUMMARY... Consultation and Coordination with Indian Tribal Governments, and the Department of Commerce Tribal...

78 FR 9327 - Hawaii Crustacean Fisheries; 2013 Northwestern Hawaiian Islands Lobster Harvest Guideline

Federal Register 2010, 2011, 2012, 2013, 2014

2013-02-08

...-XC453 Hawaii Crustacean Fisheries; 2013 Northwestern Hawaiian Islands Lobster Harvest Guideline AGENCY.... ACTION: Notification of lobster harvest guideline. SUMMARY: NMFS establishes the annual harvest guideline for the commercial lobster fishery in the Northwestern Hawaiian Islands (NWHI) for calendar year 2013...

78 FR 21113 - Marine Mammals; File No. 17845

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-09

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC599 Marine Mammals; File No. 17845 AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric... the authority of the Marine Mammal Protection Act of 1972, as amended (MMPA; 16 U.S.C. 1361 et seq...

77 FR 31587 - Fishing Capacity Reduction Program for the Pacific Coast Groundfish Fishery

Federal Register 2010, 2011, 2012, 2013, 2014

2012-05-29

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC048 Fishing Capacity Reduction Program for the Pacific Coast Groundfish Fishery AGENCY: National Marine Fisheries...-loan in the fishing capacity reduction program for the Pacific Coast Groundfish Fishery has been repaid...

77 FR 55191 - Fishing Capacity Reduction Program for the Pacific Coast Groundfish Fishery

Federal Register 2010, 2011, 2012, 2013, 2014

2012-09-07

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC219 Fishing Capacity Reduction Program for the Pacific Coast Groundfish Fishery AGENCY: National Marine Fisheries... sub-loan in the fishing capacity reduction program for the Pacific Coast Groundfish Fishery has been...

78 FR 23222 - Endangered and Threatened Species; Take of Anadromous Fish

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-18

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC630 Endangered and Threatened Species; Take of Anadromous Fish AGENCY: NOAA's National Marine Fisheries Service (NMFS... CFR parts 222-226) governing listed fish and wildlife permits. Species Covered in This Notice This...

78 FR 16659 - Pacific Fishery Management Council; Public Meetings

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-18

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC571 Pacific... Oceanic and Atmospheric Administration (NOAA), Commerce. ACTION: Notice of public meetings. SUMMARY: The..., 2013 at 8 a.m., reconvening each day through Thursday, April 11, 2013. All meetings are open to the...

78 FR 23223 - Mid-Atlantic Fishery Management Council (MAFMC); Public Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-18

... recommendation for Atlantic butterfish (2014-15); make multi-year ABC recommendations (2014-16) for surfclams and... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC617 Mid-Atlantic.... SUMMARY: The Scientific and Statistical Committee (SSC) of the Mid- Atlantic Fishery Management Council...

78 FR 4132 - National Climate Assessment and Development Advisory Committee

Federal Register 2010, 2011, 2012, 2013, 2014

2013-01-18

...-3013-0] RIN 0648-XC433 National Climate Assessment and Development Advisory Committee AGENCY: Office of... Oceanic and Atmospheric Research (OAR) publishes this notice on behalf of the National Climate Assessment and Development Advisory Committee (NCADAC) to announce the availability of a Draft Climate Assessment...

An Automated Human Factors Analysis System for Imaging Data.

DTIC Science & Technology

1983-04-01

ITANKI.E0S.AUO.VALIS.E@.3)TUEK 164 FRECOGF-FRECOSFl 165 ELSE * 22 * 66 FALIEIDF&FALSEIDF.1 167 ENSIF log 90 TO I lot ENDIF 179 T1IME mFLOAT( IDA-2)’.G9.*󈨉...X.Y.XY(2).TOP.BOTTOM.LEFT.RIGHT.TB(2).LR(2) 20 EOUIVALENCEX YI.X).XC).Y.IRIG6G.XY(I)) 39 EQUIVALENCE(T(). BOTTON ,(TB2Z.TOP).( IRG(1).TBtl)) 45 EOulVALENCE...GOT01I lot ENDIF tog IFISEC.LT.TSEC(LI)OO TO I 115f C BOIN-ISHFTITIDAV(L).-12) 49 III C WRITE(6.34)SOXN.L 113 SOXN.C ISNFT(T1DAYtL).-12l-1)*4 114 C

State-Bound Estimation for Nonlinear Systems Using Randomized Mu-Analysis

DTIC Science & Technology

2014-04-30

p] = e−(1+p)2x(0) = e−2e−2px(0) Using the Taylor series expansion, the uncertain exponential function is given by φ[x(2), p] = e−2 ( 1− 2p+ 4p 2 2...the real part and the imaginary part of the argument, respectively. Notice that φk(xc, pc) + ∆φ k is equal to φk(x0, p) by the definition and it is...x0, p) is that the value of φ k(x0, p) can be positive and negative and the definition of κ∗ in (2.20) is given in terms of the absolute value of φk

DOE Office of Scientific and Technical Information (OSTI.GOV)

Escartín, J. M.; CNRS, UMR5152, F-31062 Toulouse Cedex; Theory of Condensed Matter Group, Cavendish Laboratory, University of Cambridge, J.J. Thomson Avenue, Cambridge CB3 0HE

Time-Dependent Density-Functional Theory (TDDFT) is a well-established theoretical approach to describe and understand irradiation processes in clusters and molecules. However, within the so-called adiabatic local density approximation (ALDA) to the exchange-correlation (xc) potential, TDDFT can show insufficiencies, particularly in violently dynamical processes. This is because within ALDA the xc potential is instantaneous and is a local functional of the density, which means that this approximation neglects memory effects and long-range effects. A way to go beyond ALDA is to use Time-Dependent Current-Density-Functional Theory (TDCDFT), in which the basic quantity is the current density rather than the density as in TDDFT.more » This has been shown to offer an adequate account of dissipation in the linear domain when the Vignale-Kohn (VK) functional is used. Here, we go beyond the linear regime and we explore this formulation in the time domain. In this case, the equations become very involved making the computation out of reach; we hence propose an approximation to the VK functional which allows us to calculate the dynamics in real time and at the same time to keep most of the physics described by the VK functional. We apply this formulation to the calculation of the time-dependent dipole moment of Ca, Mg and Na{sub 2}. Our results show trends similar to what was previously observed in model systems or within linear response. In the non-linear domain, our results show that relaxation times do not decrease with increasing deposited excitation energy, which sets some limitations to the practical use of TDCDFT in such a domain of excitations.« less

Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I-type-II transition of natural band offsets in nonpolar zinc-blende AlxGa1 -xN /AlyGa1 -yN composites

NASA Astrophysics Data System (ADS)

Landmann, M.; Rauls, E.; Schmidt, W. G.

2017-04-01

The composition dependence of the natural band alignment at nonpolar AlxGa1 -xN /AlyGa1 -yN heterojunctions is investigated via hybrid functional based density functional theory. Accurate band-gap data are provided using Heyd-Scuseria-Ernzerhof (HSE) type hybrid functionals with a composition dependent exact-exchange contribution. The unstrained band alignment between zincblende (zb) AlxGa1 -xN semiconductor alloys is studied within the entire ternary composition range utilizing the Branch-point technique to align the energy levels related to the bulklike direct Γv→Γc and indirect, pseudodirect, respectively, Γv→Xc type transitions in zb-AlxGa1 -xN . While the zb-GaN/AlxGa1 -xN band edges consistently show a type-I alignment, the relative position of fundamental band edges changes to a type-II alignment in the Al-rich composition ranges of zb-AlxGa1 -xN /AlN and zb-AlxGa1 -xN /AlyGa1 -yN systems. The presence of a direct-indirect band-gap transition at xc=0.63 in zb-AlxGa1 -xN semiconductor alloys gives rise to a notably different composition dependence of band discontinuities in the direct and indirect energy-gap ranges. Below the critical direct-indirect Al/Ga-crossover concentration, the band offsets show a close to linear dependence on the alloy composition. In contrast, notable bowing characteristics of all band discontinuities are observed above the critical crossover composition.

The pH sensibility of actin-bundling LIM proteins is governed by the acidic properties of their C-terminal domain.

PubMed

Moes, Danièle; Hoffmann, Céline; Dieterle, Monika; Moreau, Flora; Neumann, Katrin; Papuga, Jessica; Furtado, Angela Tavares; Steinmetz, André; Thomas, Clément

2015-08-19

Actin-bundling Arabidopsis LIM proteins are subdivided into two subfamilies differing in their pH sensitivity. Widely-expressed WLIMs are active under low and high physiologically-relevant pH conditions, whereas pollen-enriched PLIMs are inactivated by pH values above 6.8. By a domain swapping approach we identified the C-terminal (Ct) domain of PLIMs as the domain responsible for pH responsiveness. Remarkably, this domain conferred pH sensitivity to LIM proteins, when provided "in trans" (i.e., as a single, independent, peptide), indicating that it operates through the interaction with another domain. An acidic 6xc-Myc peptide functionally mimicked the Ct domain of PLIMs and efficiently inhibited LIM actin bundling activity under high pH conditions. Together, our data suggest a model where PLIMs are regulated by an intermolecular interaction between their acidic Ct domain and another, yet unidentified, domain. Copyright © 2015 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

Structural and magnetic properties of FeCoC system obtained by mechanical alloying

NASA Astrophysics Data System (ADS)

Rincón Soler, A. I.; Rodríguez Jacobo, R. R.; Medina Barreto, M. H.; Cruz-Muñoz, B.

2017-11-01

Fe96-XCoXC4 (x = 0, 10, 20, 30, 40 at. %) alloys were obtained by mechanical alloying of Fe, C and Co powders using high-energy milling. The structural and magnetic properties of the alloy system were analyzed by X-ray diffraction, Scanning Electron Microscopy (SEM), Vibrating Sample Magnetometer (VSM) and Mössbauer Spectrometry at room temperature. The X-ray diffraction patterns showed a BCC-FeCoC structure phase for all samples, as well as a lattice parameter that slightly decreases with Co content. The saturation magnetization and coercive field were analyzed as a function of Co content. The Mössbauer spectra were fitted with a hyperfine magnetic field distribution showing the ferromagnetic behavior and the disordered character of the samples. The mean hyperfine magnetic field remained nearly constant (358 T) with Co content.

78 FR 19217 - Small Takes of Marine Mammals Incidental to Specified Activities; Cape Wind's High Resolution...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-29

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC430 Small Takes... Sound, MA AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric... turbine generators on Horseshoe Shoal over a 2-year period. The survey will collect data along...

Periscopic Spine Surgery

DTIC Science & Technology

2008-06-01

and H. Seraji , “Kinematic analysis of 7 DOF manipulators,” Int. Journal of Robotics Research, vol. 11, no. 5, pp. 469–481, 1992. [9] D. Lawrence...Force/torque Sensor Read joint Angle Forward kinematics Impedance controller Patient Fe Fs ix∆ Xd Xc diθ ciθ riθ P&O Proc. of SPIE Vol

Using field data to assess the tolerance of freshwater fish to elevated ionic concentrations

EPA Science Inventory

We used field data of fish occurrences and specific conductivity to assess the tolerance of freshwater fish to elevated ions. The concentration at which a species was expected to no longer be observed [the extirpation concentration (XC95)] was identified from the 95th percentile ...

77 FR 46730 - Aquatic Nuisance Species Task Force Strategic Plan 2013-2017

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-06

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC120 Aquatic... and regulations. 2. Prevention: Prevention is the first-line of defense against ANS. This goal calls..., and associated action items that are intended to be completed in the next 5 years. The accomplishment...

78 FR 13642 - Endangered Species; File No. 17506

Federal Register 2010, 2011, 2012, 2013, 2014

2013-02-28

... Endangered Species Act of 1973, as amended (ESA; 16 U.S.C. 1531 et seq.) and the regulations governing the taking, importing, and exporting of endangered and threatened species (50 CFR parts 222-226). The... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC518 Endangered...

78 FR 26323 - Endangered Species; File No. 17183

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-06

... has been issued under the authority of the Endangered Species Act of 1973, as amended (ESA; 16 U.S.C... not operate to the disadvantage of such endangered or threatened species, and (3) is consistent with... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC078 Endangered...

78 FR 25255 - Atlantic Highly Migratory Species; Public Conference Call and Webinar Regarding Updates to the...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-30

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC621 Atlantic... Administration (NOAA), Commerce. ACTION: Announcement of public conference call and webinar. SUMMARY: NMFS will... Commerce manages Atlantic HMS, including Atlantic tunas, sharks, billfish, and swordfish, and has delegated...

77 FR 58097 - Aquatic Nuisance Species Task Force Strategic Plan 2013-2017

Federal Register 2010, 2011, 2012, 2013, 2014

2012-09-19

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC120 Aquatic Nuisance Species Task Force Strategic Plan 2013--2017 Correction In notice document 2012-19161, appearing on pages 46730-46732 in the issue of Monday, August 6, 2012, make the following correction: On page...

78 FR 70002 - International Fisheries; Pacific Tuna Fisheries; 2013 Bigeye Tuna Longline Fishery Closure in the...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-22

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration 50 CFR Part 300 [Docket No. 110620342-1659-03] RIN 0648-XC922 International Fisheries; Pacific Tuna Fisheries; 2013 Bigeye Tuna Longline...), National Oceanic and Atmospheric Administration (NOAA), Commerce. ACTION: Temporary rule; fishery closure...

Aqueous carbon black dispersions prepared with steam jet-cooked corn starch

USDA-ARS?s Scientific Manuscript database

The utilization of jet-cooked waxy and normal corn starch to prepare aqueous dispersions of hydrophobic carbon black (Vulcan XC-72R) is reported. Blending carbon black (CB) into aqueous jet-cooked dispersions of starch followed by high pressure homogenization produced stable aqueous carbon black di...

78 FR 65887 - International Fisheries; Pacific Tuna Fisheries; 2013 Bigeye Tuna Longline Fishery Closure in the...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-04

.... 110620342-1659-03] RIN 0648-XC922 International Fisheries; Pacific Tuna Fisheries; 2013 Bigeye Tuna Longline Fishery Closure in the Eastern Pacific Ocean AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric Administration (NOAA), Commerce. ACTION: Temporary rule; fishery closure. SUMMARY...

77 FR 76424 - Fisheries of the Northeastern United States; Bluefish Fishery; Quota Transfer

Federal Register 2010, 2011, 2012, 2013, 2014

2012-12-28

.... 120201086-2418-02] RIN 0648-XC394 Fisheries of the Northeastern United States; Bluefish Fishery; Quota Transfer AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric Administration...: Effective December 21, 2012, through December 31, 2012. FOR FURTHER INFORMATION CONTACT: Carly Bari, Fishery...

77 FR 50952 - Fisheries Off West Coast States; Coastal Pelagic Species Fisheries; Closure

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-23

.... 120312182-2239-02] RIN 0648-XC166 Fisheries Off West Coast States; Coastal Pelagic Species Fisheries; Closure AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric Administration..., Pacific sardine may be harvested only as part of the live bait fishery or incidental to other fisheries...

78 FR 64182 - Fisheries of the Northeastern United States; Bluefish Fishery; Quota Transfer

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-28

.... 130104009-3416-02] RIN 0648-XC921 Fisheries of the Northeastern United States; Bluefish Fishery; Quota Transfer AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric Administration...: Effective October 25, 2013, through December 31, 2013. FOR FURTHER INFORMATION CONTACT: Carly Bari, Fishery...

78 FR 51097 - Fisheries Off West Coast States; Coastal Pelagic Species Fisheries; Closure

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-20

.... 121210694-3514-02] RIN 0648-XC783 Fisheries Off West Coast States; Coastal Pelagic Species Fisheries; Closure AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric Administration..., Pacific sardine may be harvested only as part of the live bait fishery or incidental to other fisheries...

78 FR 52711 - Fisheries of the Northeastern United States; Northeast Multispecies Fisheries Management Plan...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-26

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration 50 CFR Part 648 [Docket No. 110816505-2184-03] RIN 0648-XC793 Fisheries of the Northeastern United States; Northeast Multispecies...) require that, if the NMFS Northeast Region Administrator (Regional Administrator) projects that 90 percent...

77 FR 58321 - Fisheries of the Northeastern United States; Northeast Multispecies Fisheries Management Plan...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-09-20

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration 50 CFR Part 648 [Docket No. 110816505-2184-03] RIN 0648-XC201 Fisheries of the Northeastern United States; Northeast Multispecies... CFR 648.86(d)(4) require that, if the NMFS Northeast Region Administrator (Regional Administrator...

77 FR 32036 - Atlantic Highly Migratory Species; Commercial Porbeagle Shark Fishery Closure

Federal Register 2010, 2011, 2012, 2013, 2014

2012-05-31

... dealers are required to report to NMFS all sharks landed every two weeks. Dealer reports for fish received...-XC044 Atlantic Highly Migratory Species; Commercial Porbeagle Shark Fishery Closure AGENCY: National...: Temporary rule; fishery closure. SUMMARY: NMFS is closing the commercial fishery for porbeagle sharks. This...

77 FR 60631 - Fraser River Sockeye Salmon Fisheries; Inseason Orders

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-04

...-XC222 Fraser River Sockeye Salmon Fisheries; Inseason Orders AGENCY: National Marine Fisheries Service...; inseason orders. SUMMARY: NMFS publishes Fraser River salmon inseason orders to regulate treaty and non-treaty (all citizen) commercial salmon fisheries in U.S. waters. The orders were issued by the Fraser...

78 FR 69002 - Fraser River Sockeye and Pink Salmon Fisheries; Inseason Orders

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-18

...-XC965 Fraser River Sockeye and Pink Salmon Fisheries; Inseason Orders AGENCY: National Marine Fisheries...; inseason orders. SUMMARY: NMFS publishes Fraser River salmon inseason orders to regulate treaty and non-treaty (all citizen) commercial salmon fisheries in U.S. waters. The orders were issued by the Fraser...

Crystal Chemistry and Magnetism of Ternary Actinoid Boron Carbides UB 1- xC 1+ x and U 1- xMxB 2C with M = Sc, Lu, and Th

NASA Astrophysics Data System (ADS)

Rogl, P.; Rupp, B.; Felner, I.; Fischer, P.

1993-06-01

Within the homogeneous range of uranium monocarbide UB 1- xC 1+ x, the crystal structures of stoichiometric UBC and of the carbon-rich solid solution UB 0.78C 1.22, have been refined from single-crystal X-ray counter data. From X-ray analysis crystal symmetry in both cases is consistent with the centro-symmetric space group Cmcm and there are no indications of superstructure formation. In contrast to the fully ordered atom arrangement revealed for stoichiometric UBC ( a = 0.35899(4), b = 1.19781(12), c = 0.33474(3) nm), random occupation by boron and carbon atoms is observed for the boron site in UB 0.78C 1.22 ( a = 0.35752(4), b = 1.18584(3), c = 0.33881(4) nm). For 279(278) reflections (|F 0| > 3σ) the obtained reliability factors R x = ∑|ΔF|/∑| F0| were R x = 0.069 for UBC and R x = 0.050 for UB 0.78C 1.22. Neutron powder diffraction experiments at 9 and 295 K unambiguously revealed full occupancy by the nonmetal atoms in UB 0.78C 1.22 and prove the statistical occupation of B and C atoms in the B-sites. For the orthorhombic symmetry Cmcm, refinement was not better than R1 = 0.044. A model calculation in monoclinic symmetry C12/ m1, however, resulted in a significant reduction of the residual value to R1 = 0.030, releasing spatial constraints on the boron atoms. Thus the boron-boron chain in Cmcm (B-B = 0.1874 nm) is dissolved into boron pairs (B-B = 0.1706 nm) which are loosely bound at a distance of 0.2043 nm. The formation of C-B-B-C groups corresponds to the structure types of ThBC and Th 3B 2C 3. The magnetic behavior has been investigated in the temperature range from 4.2 K to 1000 K for UB 1- xC 1+ x (UBC-type) and U 1- xMxB 2C (ThB 2C-type for the high temperature modification and 1-UB 2C-type for the low temperature modification) with U partially substituted by Th or Sc, Lu. From magnetic susceptibilities, the alloys UB 1- xC 1+ x reveal temperature independent paramagnetism with typical intermediate valence fluctuation behavior ( TSF ˜ 350 K). ThB 2C and 1-UB 2C both are temperature independent paramagnets, whereas h-UB 2C is a ferromagnet with the rather high Curie temperature TM = 80(2) K. TM and the saturation magnetiziation per U atom both successively decrease on substitution of U by Th, Sc, or Lu in UB 2C, whereas the U-moments remain practically unchanged at μ eff(U) ˜ 1.9 μ B. Uranium L 3-XANES (X-ray Absorption Near Edge Structure) spectroscopy revealed increased d-band localization, comparable to uranium-transition metal alloys, in nonmagnetic UB 1- xC 1+ x ( x = 0, 0.22). No superconductivity was observed down to 1.5 K; no hydrogen uptake was observed for UB 2C and ThB 2C even under hydrogen pressures as high as 7 × 10 7 Pa at 670 K.

Research in Multirate Estimation and Control--Optimal Sample Rate Selection.

DTIC Science & Technology

1981-10-08

scale integration (VLSI), expanded computational capabilities are inevitably consumed in implementation. In aircraft applications, for example, new and...I chosen for the present work is given below: H =J + XC (2.3-1) - A W kfc T + A ; Ni (2.3-2) 2 is kos ktheI The Hamiltonian is constructed by

77 FR 54837 - Fisheries of the Economic Exclusive Zone Off Alaska; Shallow-Water Species Fishery by Vessels...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-09-06

.... 111207737-2141-02] RIN 0648-XC204 Fisheries of the Economic Exclusive Zone Off Alaska; Shallow- Water...; closure. SUMMARY: NMFS is prohibiting directed fishing for species that comprise the shallow-water species... fourth seasonal apportionment of the Pacific halibut bycatch allowance specified for the shallow-water...

77 FR 33103 - Fisheries of the Economic Exclusive Zone Off Alaska; Shallow-Water Species Fishery by Vessels...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-05

.... 111207737-2141-02] RIN 0648-XC056 Fisheries of the Economic Exclusive Zone Off Alaska; Shallow- Water...; closure. SUMMARY: NMFS is prohibiting directed fishing for species that comprise the shallow-water species... second seasonal apportionment of the Pacific halibut bycatch allowance specified for the shallow-water...

78 FR 48075 - Western Pacific Fisheries; 2013 Annual Catch Limits and Accountability Measures; Correcting...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-07

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration 50 CFR Part 665 [Docket No. 121107617-3628-03] RIN 0648-XC351 Western Pacific Fisheries; 2013 Annual Catch Limits and Accountability...-Deep 7 bottomfish fishery is not subject to in-season closure or other in- season accountability...

77 FR 38011 - Atlantic Highly Migratory Species; Atlantic Bluefin Tuna Fisheries

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-26

.... 110210132-1275-02] RIN 0648-XC055 Atlantic Highly Migratory Species; Atlantic Bluefin Tuna Fisheries AGENCY... northern area fishery for large medium and giant Atlantic bluefin tuna (BFT) for the remainder of 2012... INFORMATION: Regulations implemented under the authority of the Atlantic Tunas Convention Act (16 U.S.C. 971...

77 FR 31546 - Atlantic Highly Migratory Species; Atlantic Bluefin Tuna Fisheries

Federal Register 2010, 2011, 2012, 2013, 2014

2012-05-29

.... 110210132-1275-02] RIN 0648-XC035 Atlantic Highly Migratory Species; Atlantic Bluefin Tuna Fisheries AGENCY... tuna (BFT) for the remainder of 2012. Fishing for, retaining, possessing, or landing BFT in the... authority of the Atlantic Tunas Convention Act (16 U.S.C. 971 et seq.) and the Magnuson-Stevens Fishery...

77 FR 34853 - Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Cod for American Fisheries Act...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-12

... in the BSAI exclusive economic zone according to the Fishery Management Plan for Groundfish of the.... 111213751-2102-02] RIN 0648-XC064 Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Cod for... Management Area AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric...

Targeting Energy Metabolic Pathways as Therapeutic Intervention for Breast Cancer

DTIC Science & Technology

2014-12-01

modulates the efficacy of curcumin and velcade against tumor cells. Autophagy. 2013, 9: 208-219. Cheng Y, Ren XC, Gowda P, Shan Y, Zhang L, Yuan YS...and modulates the efficacy of curcumin and velcade against tumor cells. Autophagy 2013; 9:208-19. 8. Parmer TG, Ward MD, Yurkow EJ, Vyas VH

78 FR 64891 - Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch in the Bering Sea and...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-30

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration 50 CFR Part 679 [Docket No. 121018563-3148-02] RIN 0648-XC944 Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch... (NMFS), National Oceanic and Atmospheric Administration (NOAA), Commerce. ACTION: Temporary rule...

78 FR 64892 - Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch in the Bering Sea and...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-30

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration 50 CFR Part 679 [Docket No. 121018563-3148-02] RIN 0648-XC943 Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch... (NMFS), National Oceanic and Atmospheric Administration (NOAA), Commerce. ACTION: Temporary rule...

78 FR 47580 - Fisheries of the Northeastern United States; Scup Fishery; Adjustment to the 2013 Winter II Quota

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-06

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration 50 CFR Part 648 [Docket No. 121009528-2729-02] RIN 0648-XC749 Fisheries of the Northeastern United States; Scup Fishery; Adjustment to... Atmospheric Administration (NOAA), Commerce. ACTION: Temporary rule; inseason adjustment. SUMMARY: NMFS...

Submarine Periscope Depth Course Selection Tactical Decision Aid

DTIC Science & Technology

1997-12-01

are translated to Cartesian coordinates. Co is own ship’s course. 8 X0 = DMho. cos(Co) Yo = DAho . sin(Co) Xc = DMht- cos(Ct) Yc = DMhbt sin(Ct) These...Display Graph. The input parameters of DAho , Ct, and DMiht along with Co as generated by the simulation are used to determine the Cartesian

77 FR 58051 - Fisheries of the Northeastern United States; Bluefish Fishery; Commercial Quota Harvested for the...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-09-19

.... 120201086-2418-02] RIN 0648-XC236 Fisheries of the Northeastern United States; Bluefish Fishery; Commercial...: NMFS announces that the 2012 bluefish commercial quota allocated to the Commonwealth of Massachusetts has been harvested. Vessels issued a commercial Federal fisheries permit for the bluefish fishery may...

78 FR 5168 - BE-29: Survey of Foreign Ocean Carriers' Expenses in the United States

Federal Register 2010, 2011, 2012, 2013, 2014

2013-01-24

... DEPARTMENT OF COMMERCE Bureau of Economic Analysis [Docket No. 130111033-3033-01] XRIN 0691-XC004... Analysis, Commerce. ACTION: Notice of reporting requirements. SUMMARY: By this Notice, the Bureau of Economic Analysis (BEA), Department of Commerce is informing the public that it is conducting the mandatory...

78 FR 5168 - BE-30: Survey of Ocean Freight Revenues and Foreign Expenses of United States Carriers

Federal Register 2010, 2011, 2012, 2013, 2014

2013-01-24

... DEPARTMENT OF COMMERCE Bureau of Economic Analysis [Docket No. 130114035-3035-01] XRIN 0691-XC005... of Economic Analysis, Commerce. ACTION: Notice of reporting requirements. SUMMARY: By this Notice, the Bureau of Economic Analysis (BEA), Department of Commerce, is informing the public that it is...

78 FR 6067 - BE-37: Survey of U.S. Airline Operators' Foreign Revenues and Expenses

Federal Register 2010, 2011, 2012, 2013, 2014

2013-01-29

... DEPARTMENT OF COMMERCE Bureau of Economic Analysis [Docket Number 130114042-3042-01] XRIN 0691-XC006 BE-37: Survey of U.S. Airline Operators' Foreign Revenues and Expenses AGENCY: Bureau of Economic... Economic Analysis (BEA), Department of Commerce, is informing the public that it is conducting a mandatory...

78 FR 25003 - Fisheries of the Northeastern United States; Summer Flounder Fishery; Quota Transfer

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-29

.... 121009528-2729-02] RIN 0648-XC634 Fisheries of the Northeastern United States; Summer Flounder Fishery... of North Carolina is transferring a portion of its 2013 commercial summer flounder quota to the... transferring a portion of its 2013 commercial summer flounder quota to the Commonwealth of Massachusetts and to...

78 FR 33 - Fisheries of the Northeastern United States; Summer Flounder Fishery; Quota Transfer

Federal Register 2010, 2011, 2012, 2013, 2014

2013-01-02

.... 111220786-1781-01] RIN 0648-XC396 Fisheries of the Northeastern United States; Summer Flounder Fishery... of North Carolina is transferring a portion of its 2012 commercial summer flounder quota to the Commonwealth of Virginia, the State of North Carolina is transferring a portion of its 2012 commercial summer...

78 FR 9849 - Fisheries of the Northeastern United States; Summer Flounder Fishery; Quota Transfer

Federal Register 2010, 2011, 2012, 2013, 2014

2013-02-12

.... 111220786-1781-01] RIN 0648-XC451 Fisheries of the Northeastern United States; Summer Flounder Fishery... of North Carolina is retroactively transferring a portion of its 2012 commercial summer flounder... summer flounder fishery are in 50 CFR part 648, and require annual specification of a commercial quota...

78 FR 20037 - Fisheries of the Northeastern United States; Summer Flounder Fishery; Quota Transfer

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-03

.... 121009528-2729-02] RIN 0648-XC542 Fisheries of the Northeastern United States; Summer Flounder Fishery... of North Carolina is transferring a portion of its 2013 commercial summer flounder quota to the.... SUPPLEMENTARY INFORMATION: Regulations governing the summer flounder fishery are in 50 CFR part 648, and require...

77 FR 64239 - Fisheries of the Northeastern United States; Summer Flounder Fishery; Commercial Quota Harvested...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-19

.... 111220786-1781-01] RIN 0648-XC294 Fisheries of the Northeastern United States; Summer Flounder Fishery...: NMFS announces that the 2012 summer flounder commercial quota allocated to the State of New York has been harvested. Vessels issued a commercial Federal fisheries permit for the summer flounder fishery...

77 FR 75569 - Fisheries of the Northeastern United States; Summer Flounder Fishery; Commercial Quota Harvested...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-12-21

.... 111220786-1781-01] RIN 0648-XC404 Fisheries of the Northeastern United States; Summer Flounder Fishery...: NMFS announces that the 2012 summer flounder commercial quota allocated to the State of New Jersey has been harvested. Vessels issued a commercial Federal fisheries permit for the summer flounder fishery...

77 FR 52262 - Fisheries of the Northeastern United States; Summer Flounder Fishery; Commercial Quota Harvested...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-29

.... 111220786-1781-01] RIN 0648-XC176 Fisheries of the Northeastern United States; Summer Flounder Fishery...; closure. SUMMARY: NMFS announces that the 2012 summer flounder commercial quota allocated to the... summer flounder fishery may not land summer flounder in Massachusetts for the remainder of calendar year...

78 FR 13812 - Fisheries of the Northeastern United States; Summer Flounder Fishery; Quota Transfer

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-01

.... 121009528-2729-02] RIN 0648-XC499 Fisheries of the Northeastern United States; Summer Flounder Fishery... of North Carolina is transferring a portion of its 2013 commercial summer flounder quota to the.... SUPPLEMENTARY INFORMATION: Regulations governing the summer flounder fishery are in 50 CFR part 648, and require...

78 FR 51096 - Fisheries of the Northeastern United States; Summer Flounder Fishery; Commercial Quota Harvested...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-20

.... 111220786-1781-01] RIN 0648-XC811 Fisheries of the Northeastern United States; Summer Flounder Fishery...; closure. SUMMARY: NMFS announces that the 2013 summer flounder commercial quota allocated to the... summer flounder fishery may not land summer flounder in Massachusetts for the remainder of calendar year...

78 FR 59626 - Fisheries of the Northeastern United States; Summer Flounder Fishery; Commercial Quota Harvested...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-09-27

.... 111220786-1781-01] RIN 0648-XC878 Fisheries of the Northeastern United States; Summer Flounder Fishery...: NMFS announces that the 2013 summer flounder commercial quota allocated to the State of New York has been harvested. Vessels issued a commercial Federal fisheries permit for the summer flounder fishery...

78 FR 70890 - Fisheries of the Northeastern United States; Summer Flounder Fishery; Commercial Quota Harvested...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-27

.... 111220786-1781-01] RIN 0648-XC998 Fisheries of the Northeastern United States; Summer Flounder Fishery...: NMFS announces that the 2013 summer flounder commercial quota allocated to the State of New Jersey has been harvested. Vessels issued a commercial Federal fisheries permit for the summer flounder fishery...

77 FR 25103 - Fisheries of the Northeastern United States; Summer Flounder Fishery; Quota Transfer

Federal Register 2010, 2011, 2012, 2013, 2014

2012-04-27

.... 111220786-1781-01] RIN 0648-XC002 Fisheries of the Northeastern United States; Summer Flounder Fishery... of North Carolina is transferring a portion of its 2012 commercial summer flounder quota to the... governing the summer flounder fishery are in 50 CFR part 648, and require annual specification of a...

78 FR 67128 - Mid-Atlantic Fishery Management Council (MAFMC); Public Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-08

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC962 Mid-Atlantic...), National Oceanic and Atmospheric Administration (NOAA), Commerce. ACTION: Notice of a public meeting.... DATES: The meeting will be held on Monday, November 25, 2013 from 1 p.m. to 4:30 p.m. ADDRESSES: The...

77 FR 64492 - Taking and Importing Marine Mammals; U.S. Navy Training in the Northwest Training Range Complex

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-22

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC247 Taking and... readiness activities pursuant to the Marine Mammal Protection Act (MMPA), as amended by the National Defense... report. Navy-funded marine mammal monitoring accomplishments within NWTRC for the past year consisted of...

77 FR 60319 - Harbor Porpoise Take Reduction Plan; Coastal Gulf of Maine Closure Area Established With a...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-03

...-XC099 Harbor Porpoise Take Reduction Plan; Coastal Gulf of Maine Closure Area Established With a... Atmospheric Administration (NOAA), Commerce. ACTION: Establishment of the Coastal Gulf of Maine Closure Area... Service (NMFS) announces the establishment of the Coastal Gulf of Maine Closure Area under the Harbor...

78 FR 25865 - Fisheries Off West Coast States; West Coast Salmon Fisheries; 2013 Management Measures

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-03

.... 130108020-3409-01] RIN 0648-XC438 Fisheries Off West Coast States; West Coast Salmon Fisheries; 2013.... SUMMARY: Through this final rule NMFS establishes fishery management measures for the 2013 ocean salmon fisheries off Washington, Oregon, and California and the 2014 salmon seasons opening earlier than May 1...

Nitrogen-doped hierarchical lamellar porous carbon synthesized from the fish scale as support material for platinum nanoparticle electrocatalyst toward the oxygen reduction reaction.

PubMed

Liu, Haijing; Cao, Yinliang; Wang, Feng; Huang, Yaqin

2014-01-22

Novel hierarchical lamellar porous carbon (HLPC) with high BET specific surface area of 2730 m(2) g(-1) and doped by nitrogen atoms has been synthesized from the fish scale without any post-synthesis treatment, and applied to support the platinum (Pt) nanoparticle (NP) catalysts (Pt/HLPC). The Pt NPs could be highly dispersed on the porous surface of HLPC with a narrow size distribution centered at ca. 2.0 nm. The results of the electrochemical analysis reveal that the electrochemical active surface area (ECSA) of Pt/HLPC is larger than the Pt NP electrocatalyst supported on the carbon black (Pt/Vulcan XC-72). Compared with the Pt/Vulcan XC-72, the Pt/HLPC exhibits larger current density, lower overpotential, and enhanced catalytic activity toward the oxygen reduction reaction (ORR) through the direct four-electron pathway. The improved catalytic activity is mainly attributed to the high BET specific surface area, hierarchical porous structures and the nitrogen-doped surface property of HLPC, indicating the superiority of HLPC as a promising support material for the ORR electrocatalysts.

Quorum sensing inhibitors from marine bacteria Oceanobacillus sp. XC22919.

PubMed

Chen, Xiaochun; Chen, Jianwei; Yan, Yinchun; Chen, Su; Xu, Xuewei; Zhang, Huawei; Wang, Hong

2018-02-12

In this study, three active compounds isolated from Oceanobacillus sp. XC22919 were identified as 2-methyl-N-(2'-phenylethyl) butyramide (1), 3-methyl-N-(2'-phenylethyl)-butyramide (2) and benzyl benzoate (3), and were first reported to exhibit the apparent quorum sensing inhibitory activities against C. violaceum 026 and P. aeruginosa. Compounds 1-3 inhibited violacein production of C. violaceum 026 by 10.5-55.7, 11.2-55.7, and 27.2%-95.7%, respectively, and inhibited pyocyanin production of P. aeruginosa by 1.7-50.8, 39.1-90.7, and 57.2%-98.7%, respectively. The azocasein-degrading proteolytic rates of P. aeruginosa were observed by 13.4-31.5, 13.4-28.8, and 11.3%-21.1%, respectively. With respect to elastase, the range of inhibition of activity of compounds 1-3 was 2.1-30.3, 4.2-18.2, and 8.9%-15.7%, respectively. Compounds 1 and 3 also showed a concentration-dependent attenuation in biofilm formation, with the maximum of 50.6% inhibition, and 37.7% inhibition at 100 μg/mL, respectively.

Strong Coupling Superconductivity in the Vicinity of the Structural Quantum Critical Point in (CaxSr1-x)3Rh4Sn13

NASA Astrophysics Data System (ADS)

Yu, Wing Chi; Cheung, Yiu Wing; Saines, Paul J.; Imai, Masaki; Matsumoto, Takuya; Michioka, Chishiro; Yoshimura, Kazuyoshi; Goh, Swee K.

The family of the superconducting quasiskutterudites (CaxSr1-x)3Rh4Sn13 features a structural quantum critical point at xc = 0 . 9 , around which a dome-shaped variation of the superconducting transition temperature Tc is found. In this talk, we present the specific heat data for the normal and the superconducting states of the entire series straddling the quantum critical point. Our analysis indicates a significant lowering of the effective Debye temperature on approaching xc, which we interpret as a result of phonon softening accompanying the structural instability. Furthermore, a remarkably large enhancement of 2 Δ /kBTc and ΔC / γTc beyond the Bardeen-Cooper-Schrieffer values is found in the vicinity of the structural quantum critical point. Reference: Wing Chi Yu et al. Phys. Rev. Lett. (in press, 2015) This work was supported by the CUHK (Startup Grant, Direct Grant No. 4053071), UGC Hong Kong (ECS/24300214), Grants-in-Aid from MEXT (22350029 and 23550152), and Glasstone Bequest, Oxford.

DeepX: Deep Learning Accelerator for Restricted Boltzmann Machine Artificial Neural Networks.

PubMed

Kim, Lok-Won

2018-05-01

Although there have been many decades of research and commercial presence on high performance general purpose processors, there are still many applications that require fully customized hardware architectures for further computational acceleration. Recently, deep learning has been successfully used to learn in a wide variety of applications, but their heavy computation demand has considerably limited their practical applications. This paper proposes a fully pipelined acceleration architecture to alleviate high computational demand of an artificial neural network (ANN) which is restricted Boltzmann machine (RBM) ANNs. The implemented RBM ANN accelerator (integrating network size, using 128 input cases per batch, and running at a 303-MHz clock frequency) integrated in a state-of-the art field-programmable gate array (FPGA) (Xilinx Virtex 7 XC7V-2000T) provides a computational performance of 301-billion connection-updates-per-second and about 193 times higher performance than a software solution running on general purpose processors. Most importantly, the architecture enables over 4 times (12 times in batch learning) higher performance compared with a previous work when both are implemented in an FPGA device (XC2VP70).

Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions

DOE PAGES

Karasiev, Valentin V.; Dufty, James W.; Trickey, S. B.

2018-02-14

The potential for density functional calculations to predict the properties of matter under extreme conditions depends crucially upon having a non-empirical approximate free energy functional valid over a wide range of state conditions. Unlike the ground-state case, no such free-energy exchange- correlation (XC) functional exists. We remedy that with systematic construction of a generalized gradient approximation XC free-energy functional based on rigorous constraints, including the free energy gradient expansion. The new functional provides the correct temperature dependence in the slowly varying regime and the correct zero-T, high-T, and homogeneous electron gas limits. Application in Kohn-Sham calculations for hot electrons inmore » a static fcc Aluminum lattice demon- strates the combined magnitude of thermal and gradient effects handled by this functional. Its accuracy in the increasingly important warm dense matter regime is attested by excellent agreement of the calculated deuterium equation of state with reference path integral Monte Carlo results at intermediate and elevated temperatures and by low density Al calculations over a wide T range.« less

Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Karasiev, Valentin V.; Dufty, James W.; Trickey, S. B.

The potential for density functional calculations to predict the properties of matter under extreme conditions depends crucially upon having a non-empirical approximate free energy functional valid over a wide range of state conditions. Unlike the ground-state case, no such free-energy exchange- correlation (XC) functional exists. We remedy that with systematic construction of a generalized gradient approximation XC free-energy functional based on rigorous constraints, including the free energy gradient expansion. The new functional provides the correct temperature dependence in the slowly varying regime and the correct zero-T, high-T, and homogeneous electron gas limits. Application in Kohn-Sham calculations for hot electrons inmore » a static fcc Aluminum lattice demon- strates the combined magnitude of thermal and gradient effects handled by this functional. Its accuracy in the increasingly important warm dense matter regime is attested by excellent agreement of the calculated deuterium equation of state with reference path integral Monte Carlo results at intermediate and elevated temperatures and by low density Al calculations over a wide T range.« less

Size-expanded DNA bases: An ab-initio study of their structural and electronic properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fuentes-Cabrera, Miguel A; Sumpter, Bobby G; Wells, Jack C

2005-01-01

The size-expanded DNA bases, xA, xC, xG, and xT, are benzo-homologue forms of the natural DNA bases; i.e., their structure can be seen as the fusion of a natural base and a benzene ring. Recently, a variety of DNAs, known as xDNAs, have been synthesized in which size-expanded and natural bases are paired. In this paper we use second-order Moeller-Plesset perturbation theory and density functional theory to investigate the structural and electronic properties of xA, xC, xG, and xT and their natural counterparts. We find that whereas natural and size-expanded bases have both nonplanar amino groups the latter have alsomore » nonplanar aromatic rings. When density functional theory is used to investigate the electronic properties of size-expanded and natural bases, it is found that the HOMO-LUMO gap of the size-expanded bases is smaller than that of the natural bases. Also, xG should be easier to oxidize than G.« less

Antioxidant capacity index based on gold nanoparticles formation. Application to extra virgin olive oil samples.

PubMed

Della Pelle, Flavio; Vilela, Diana; González, María Cristina; Lo Sterzo, Claudio; Compagnone, Darío; Del Carlo, Michele; Escarpa, Alberto

2015-07-01

A simple gold nanoparticles (AuNPs) based colorimetric assay for the antioxidant activity determination has been developed. The AuNP formation is mediated by extra virgin olive oil (EVOO's) endogenous polyphenols; the reaction is described by a sigmoidal curve. The ratio KAuNPs/Xc(50) (slope of the linear part of the sigmoid/concentration at half value of the absorbance) was found to be the optimal parameter to report the antioxidant capacity with respect to the single KAuNPs or Xc(50) values. The obtained data demonstrated that the compounds with ortho-diphenols functionality are most active in reducing gold (III) to gold (0). Thus, intermediate activity was found for gallic acid, while tyrosol (mono-phenols) had a significant lower activity than the others antioxidant compounds (at least one order of magnitude). In the analysis of olive oil samples, a significant correlation among classical methods used to determine antioxidant activity and the proposed parameter was found with R values in the 0.96-0.97 range. Copyright © 2015 Elsevier Ltd. All rights reserved.

Structural Stability and Electronic Properties of Na2C6O6 for a Rechargeable Sodium-ion Battery

NASA Astrophysics Data System (ADS)

Yamashita, Tomoki; Fujii, Akihiro; Momida, Hiroyoshi; Oguchi, Tamio

2014-03-01

Sodium-ion batteries have been explored as a promising alternative to lithium-ion batteries owing to a significant advantage of a natural abundance of sodium. Recently, it has been reported that disodium rhodizonate, Na2C6O6, exhibit good electrochemical properties and cycle performance as a minor-metal free organic cathode for sodium-ion batteries. However, its crystal structures during discharge/charge cycle still remain unclear. In this work, we theoretically propose feasible crystal structures of Na2+xC6O6 using first principles calculations. A structural phase transition has been found: Na4C6O6 has a different C6O6 packing arrangement from Na2C6O6. Electronic structures of Na2+xC6O6 during discharge/charge cycle are also discussed. Our predictions could be the key to understanding the discharge/charge process of Na2C6O6. Supported by MEXT program ``Elements Strategy Initiative to Form Core Rersearch Center'' (since 2012), MEXT; Ministry of Education Culture, Sports, Science and Technology, Japan.

Effect of carbide additions on grain growth in TiC-Ni cermets

NASA Astrophysics Data System (ADS)

Shin, Soon-Gi; Lee, Jun-Hee

2006-02-01

The growth of carbide particles in TiC-XC-2 vol.% Ni and TiC-XC-30 vol.% Ni alloys, where X=Zr, Cr, W, Ta and Mo, was fitted to an equation of the form d3-do 3=Kt. The grain growth behavior during liquid phase sintering at 1673K decreased markedly with the addition of Mo2C or WC, changed little for TaC, and increased with the addition of ZrC or Cr3C2. The grain contiguity decreased with increasing Ni content in the TiC-Mo2C-Ni alloy and was greater in the alloys with smaller growth rate constant. Consequently, the effect of carbide addition on the grain growth of 2 vol.% Ni alloys was found to be similar to that of 30 vol.% Ni alloys. The grain growth mechanism could be explained by the effect of contiguous carbide grain boundaries in restricting the overall grain growth, as well as the area of the solid/liquid interfaces in the alloy by the usual solution/reprecipitation model.

The SMS4 cryptographic system design based on dynamic partial self-reconfiguration technology

NASA Astrophysics Data System (ADS)

Wang, Jianxin; Gao, Xianwei; Li, Xiuying; Sui, Meili

2013-03-01

This paper describes SMS4 algorithm by using dynamic partial self-reconfiguration. The design is implemented on Xilinx VirtexII-Pro XC2VP30 FPGA devices. The partial self-reconfiguration encryption/decryption module data throughput is up to 50Mb/s, key expansion and encryption/decryption modules use 1606 and 1570 slices respectively, and the resource utilization ratio of the key expansion by using partial self-reconfiguration technology is less 32.03% and slices are less 757 than the non-reconfiguration technology. SMS4 implementation gets a good balance between high performance and low complexity in area. The theoretical and practical research of dynamic partial self-reconfiguration has a broad space for development and application prospect.

Do Maximal Roller Skiing Speed and Double Poling Performance Predict Youth Cross-Country Skiing Performance?

PubMed Central

Stöggl, Roland; Müller, Erich; Stöggl, Thomas

2017-01-01

The aims of the current study were to analyze whether specific roller skiing tests and cycle length are determinants of youth cross-country (XC) skiing performance, and to evaluate sex specific differences by applying non-invasive diagnostics. Forty-nine young XC skiers (33 boys; 13.8 ± 0.6 yrs and 16 girls; 13.4 ± 0.9 yrs) performed roller skiing tests consisting of both shorter (50 m) and longer durations (575 m). Test results were correlated with on snow XC skiing performance (PXC) based on 3 skating and 3 classical distance competitions (3 to 6 km). The main findings of the current study were: 1) Anthropometrics and maturity status were related to boys’, but not to girls’ PXC; 2) Significant moderate to acceptable correlations between girls’ and boys’ short duration maximal roller skiing speed (double poling, V2 skating, leg skating) and PXC were found; 3) Boys’ PXC was best predicted by double poling test performance on flat and uphill, while girls’ performance was mainly predicted by uphill double poling test performance; 4) When controlling for maturity offset, boys’ PXC was still highly associated with the roller skiing tests. The use of simple non-invasive roller skiing tests for determination of PXC represents practicable support for ski clubs, schools or skiing federations in the guidance and evaluation of young talent. Key points Double poling tests on flat and uphill terrain and short duration maximal speed tests were the highest cross-country skiing predicting factors in girls and boys. Only in the boys there was an effect of maturation on the performance outcomes, pointing out that girls seem to be almost fully matured at the age of 13 in contrast to the boys. Roller skiing tests over short distance (50-m) and longer distance 225 m and 350 m are stable and valid measures and suitable for performance prediction in youth cross-country skiers. PMID:28912656

Bioimpedance index for measurement of total body water in severely malnourished children: Assessing the effect of nutritional oedema.

PubMed

Girma, Tsinuel; Kæstel, Pernille; Workeneh, Netsanet; Mølgaard, Christian; Eaton, Simon; Andersen, Gregers S; Michaelsen, Kim F; Friis, Henrik; Wells, Jonathan C K

2016-06-01

Restoration of body composition indicates successful management of severe acute malnutrition (SAM). Bioimpedance (BI) index (height(2)/resistance) is used to predict total body water (TBW) but its performance in SAM, especially with oedema, requires further investigation. Children with SAM (mid-arm circumference <11.0 cm or weight-for-height <70% of median of NCHS reference and/or nutritional oedema) admitted to Jimma University Hospital were included. Tetrapolar-whole-body impedance (Z), resistance (R) and reactance (Xc) were measured at 50 and 200 kHzs. Pre- and post-deuterium dose saliva samples were analysed using isotope-ratio mass spectrometry. TBW was regressed on H(2)/Z. Xc and R were height (H)-indexed, and Xc/H plotted against R/H. Thirty five children (16 non-oedematous and 19 oedematous) with median (interquartile range) age of 42 (26-54) months were studied. Height-for-age z-score (mean ± SD) was low in both non-oedematous (-3.9 ± 2.8) and oedematous (-3.6 ± 1.7) children. Oedematous children had lower BI parameters than non-oedematous (p < 0.001) and hence higher H(2)/Z for a given amount of TBW. At both 50 and 200 kHz, association between H(2)/Z and TBW was stronger in non-oedematous children than oedematous (60% higher coefficient of determination and 20% lower standard error of estimate). Intercepts and regression estimates at 50 and 200 kHz were similar, in both oedematous and non-oedematous children. In children with oedematous SAM, BI index was weak in predicting TBW. Moreover, predicted TBWs at 200 kHz and 50 kHz did not differ and hence BI measurement at 50 kHz is still practical for TBW estimation. Copyright © 2015. Published by Elsevier Ltd.

Applying mathematical models to predict resident physician performance and alertness on traditional and novel work schedules.

PubMed

Klerman, Elizabeth B; Beckett, Scott A; Landrigan, Christopher P

2016-09-13

In 2011 the U.S. Accreditation Council for Graduate Medical Education began limiting first year resident physicians (interns) to shifts of ≤16 consecutive hours. Controversy persists regarding the effectiveness of this policy for reducing errors and accidents while promoting education and patient care. Using a mathematical model of the effects of circadian rhythms and length of time awake on objective performance and subjective alertness, we quantitatively compared predictions for traditional intern schedules to those that limit work to ≤ 16 consecutive hours. We simulated two traditional schedules and three novel schedules using the mathematical model. The traditional schedules had extended duration work shifts (≥24 h) with overnight work shifts every second shift (including every third night, Q3) or every third shift (including every fourth night, Q4) night; the novel schedules had two different cross-cover (XC) night team schedules (XC-V1 and XC-V2) and a Rapid Cycle Rotation (RCR) schedule. Predicted objective performance and subjective alertness for each work shift were computed for each individual's schedule within a team and then combined for the team as a whole. Our primary outcome was the amount of time within a work shift during which a team's model-predicted objective performance and subjective alertness were lower than that expected after 16 or 24 h of continuous wake in an otherwise rested individual. The model predicted fewer hours with poor performance and alertness, especially during night-time work hours, for all three novel schedules than for either the traditional Q3 or Q4 schedules. Three proposed schedules that eliminate extended shifts may improve performance and alertness compared with traditional Q3 or Q4 schedules. Predicted times of worse performance and alertness were at night, which is also a time when supervision of trainees is lower. Mathematical modeling provides a quantitative comparison approach with potential to aid residency programs in schedule analysis and redesign.

Comparison of Flexible Ureterorenoscope Quality of Vision: An In Vitro Study.

PubMed

Talso, Michele; Proietti, Silvia; Emiliani, Esteban; Gallioli, Andrea; Dragos, Laurian; Orosa, Andrea; Servian, Pol; Barreiro, Aaron; Giusti, Guido; Montanari, Emanuele; Somani, Bhaskar; Traxer, Olivier

2018-06-01

Flexible ureterorenoscopy (fURS) is one of the best solutions for treatment of renal calculi <2 cm and for upper urinary tract urothelial carcinoma conservative treatment. An adequate quality of vision is mandatory to help surgeon get better outcomes. No studies have been done, to our knowledge, about what fURS in the market has the best quality of vision. Seven different fURS were used to compare the image quality (Lithovue, Olympus V, Olympus V2, Storz Flex XC-in White Light and in Clara+Chroma mode-Wolf Cobra Vision, Olympus P6, and Storx Flex X2). Two standardized grids to evaluate contrast and image definition and three stones of different composition were filmed in four standardized different scenarios. These videos were shown to 103 subjects (51 urologists and 52 nonurologists) who had to evaluate them with a rating scale from 1 (very bad) to 5 (very good). No difference in terms of scores was observed for sex of the participants. Digital (D) ureterorenoscopes were rated better than fiber optics (FOs) ureterorenoscopes. Overall, Flex XC White Light and XC Clara+Chroma image quality resulted steadily better than other fURS (p < 0.0001). Olympus V generally provided a vision better than Lithovue. Cobra Vision and Olympus V2 had superimposable values that were significantly lower than Lithovue's ones. Olympus P6 and Storz X2 offered a low quality of vision compared to the others. In the medium simulating bleeding, Olympus V and V2 significantly improved their scores of 12% and 8.1%, contrary to rest of the ureterorenoscopes. D ureterorenoscopes have a better image quality than FO ones. The only disposable ureterorenoscope tested was comparable to the majority of other D ureterorenoscopes. The best image quality was provided by Storz D ureterorenoscopes, being Clara Chroma the favorite Spies Mode, according to literature.

Towards time-dependent current-density-functional theory in the non-linear regime

NASA Astrophysics Data System (ADS)

Escartín, J. M.; Vincendon, M.; Romaniello, P.; Dinh, P. M.; Reinhard, P.-G.; Suraud, E.

2015-02-01

Time-Dependent Density-Functional Theory (TDDFT) is a well-established theoretical approach to describe and understand irradiation processes in clusters and molecules. However, within the so-called adiabatic local density approximation (ALDA) to the exchange-correlation (xc) potential, TDDFT can show insufficiencies, particularly in violently dynamical processes. This is because within ALDA the xc potential is instantaneous and is a local functional of the density, which means that this approximation neglects memory effects and long-range effects. A way to go beyond ALDA is to use Time-Dependent Current-Density-Functional Theory (TDCDFT), in which the basic quantity is the current density rather than the density as in TDDFT. This has been shown to offer an adequate account of dissipation in the linear domain when the Vignale-Kohn (VK) functional is used. Here, we go beyond the linear regime and we explore this formulation in the time domain. In this case, the equations become very involved making the computation out of reach; we hence propose an approximation to the VK functional which allows us to calculate the dynamics in real time and at the same time to keep most of the physics described by the VK functional. We apply this formulation to the calculation of the time-dependent dipole moment of Ca, Mg and Na2. Our results show trends similar to what was previously observed in model systems or within linear response. In the non-linear domain, our results show that relaxation times do not decrease with increasing deposited excitation energy, which sets some limitations to the practical use of TDCDFT in such a domain of excitations.

IR and NMR spectroscopic correlation of enterobactin by DFT

NASA Astrophysics Data System (ADS)

Moreno, M.; Zacarias, A.; Porzel, A.; Velasquez, L.; Gonzalez, G.; Alegría-Arcos, M.; Gonzalez-Nilo, F.; Gross, E. K. U.

2018-06-01

Emerging and re-emerging epidemic diseases pose an ongoing threat to global health. Currently, Enterobactin and Enterobactin derivatives have gained interest, owing to their potential application in the pharmaceutical field. As it is known [J. Am. Chem. Soc (1979) 101, 20, 6097-6104], Enterobactin (H6EB) is an efficient iron carrier synthesized and secreted by many microbial species. In order to facilitate the elucidation of enterobactin and its analogues, here we propose the creation of a H6EB standard set using Density Functional Theory Infrared (IR) and NMR spectra. We used two exchange-correlation (xc) functionals (PBE including long-range corrections sbnd LC-PBEsbnd and mPW1), 2 basis sets (QZVP and 6-31G(d)) and 2 grids (fine and ultrafine) for most of the H6EB structures dependent of dihedral angles. The results show a significant difference between the Osbnd H and Nsbnd H bands, while the Cdbnd O amide and Osbnd (Cdbnd O)sbnd IR bands are often found on top of each other. The NMR DFT calculations show a strong dependence on the xc functional, basis set, and grid used for the H6EB structure. Calculated 1H and 13C NMR spectra enable the effect of the solvent to be understood in the context of the experimental measurements. The good agreement between the experimental and the calculated spectra using LC-PBE/QZVP and ultrafine grid suggest the possibility of the systems reported here to be considered as a standard set. The dependence of electrostatic potential and frontier orbitals with the catecholamide dihedral angles of H6EB is described. The matrix-assisted laser desorption/ionization time of the flight mass spectrometry (MALDI-TOF MS) of H6EB is also reported of manner to enrich the knowledge about its reactivity.

A theoretical study on the electronic structure of Au-XO(0,-1,+1) (X=C, N, and O) complexes: effect of an external electric field.

PubMed

Tielens, Frederik; Gracia, Lourdes; Polo, Victor; Andrés, Juan

2007-12-20

A theoretical study on the nature of Au-XO(0,-1,+1) (X=C, N, O) interaction is carried out in order to provide a better understanding on the adsorption process of XO molecules on Au surfaces or Au-supported surfaces. The effect of the total charge as well as the presence of an external electric field on the formation processes of the Au-XO complex are analyzed and discussed using DFT (B3LYP) and high-level ab initio (CCSD(T)//MP2) methods employing a 6-311+G(3df) basis set for X and O atoms and Stuttgart pseudopotentials for Au atom. The presence of an electric field can increase the binding of O2 molecule to Au while weakening the formation of the Au-CO complex. These behaviors are discussed in the context of adsorption or deadsorption of these molecules on Au clusters. The formation of the Au-XO complex, the effect of addition/removal of one electron, and the role of the electric field are rationalized by studying the nature of the bonding interactions by means of the electron localization function (ELF) analysis. The net interaction between Au and XO fragments is governed by the interplay of three factors: (i) the amount of charge transfer from Au to XO, (ii) the sharing of the lone pair from X atom by the Au core (V(X, Au) basin), and (iii) the role of the lone pair of Au (V(Au) basin) mainly formed by 6s electrons. The total charge of the system and the applied electric field determine the population and orientation of the V(Au) basin and, subsequently, the degree of repulsion with the V(X, Au) basin.

Study of high-performance canonical molecular orbitals calculation for proteins

NASA Astrophysics Data System (ADS)

Hirano, Toshiyuki; Sato, Fumitoshi

2017-11-01

The canonical molecular orbital (CMO) calculation can help to understand chemical properties and reactions in proteins. However, it is difficult to perform the CMO calculation of proteins because of its self-consistent field (SCF) convergence problem and expensive computational cost. To certainly obtain the CMO of proteins, we work in research and development of high-performance CMO applications and perform experimental studies. We have proposed the third-generation density-functional calculation method of calculating the SCF, which is more advanced than the FILE and direct method. Our method is based on Cholesky decomposition for two-electron integrals calculation and the modified grid-free method for the pure-XC term evaluation. By using the third-generation density-functional calculation method, the Coulomb, the Fock-exchange, and the pure-XC terms can be given by simple linear algebraic procedure in the SCF loop. Therefore, we can expect to get a good parallel performance in solving the SCF problem by using a well-optimized linear algebra library such as BLAS on the distributed memory parallel computers. The third-generation density-functional calculation method is implemented to our program, ProteinDF. To achieve computing electronic structure of the large molecule, not only overcoming expensive computation cost and also good initial guess for safe SCF convergence are required. In order to prepare a precise initial guess for the macromolecular system, we have developed the quasi-canonical localized orbital (QCLO) method. The QCLO has the characteristics of both localized and canonical orbital in a certain region of the molecule. We have succeeded in the CMO calculations of proteins by using the QCLO method. For simplified and semi-automated calculation of the QCLO method, we have also developed a Python-based program, QCLObot.

Erythroid colony induction without erythropoietin by Friend leukemia virus in vitro.

PubMed

Clarke, B J; Axelrad, A A; Shreeve, M M; McLeod, D L

1975-09-01

Erythroid colonies could be produced without the addition of erythropeietin in plasma cultures seeded with bone marrow cells from normal C3Hf/Bi mice by exposure of the cells in vitro to medium from a cell line (IS) that continuously produces Friend leukemia virus in culture. The activity in the culture medium was viral rather than erythropoietin-like, since it was sedimentable by high-speed centrifugation and heat labile. Erythroid colonies did not develop when the bone marrow cells exposed to virus-containing medium were from mice genetically resistant to Friend virus. IS culture medium contained both Friend spleen focus-forming and XC-plaque-forming activities. No erythroid colonies were induced when genetically sensitive cells were exposed to a preparation from which the spleen focus-forming activity had been removed, but which contained XC plaque-forming activity in high concentration. Thus the spleen focus-forming component of Friend virus appeared to be responsible for inducing erythroid colony formation without erythropoietin in vitro. Some erythroid colonies were also found in control cultures to which neither virus nor erythropoietin had been added. Reduction in the concentration of fetal calf serum in the culture medium substantially decreased the number of these colonies but had only a minor effect on the number of virus-induced colonies. The number of erythroid colonies produced after 2 days of culture without erythropoietin or fetal calf serum was approximately proportional to the titer of Friend spleen focus-forming virus to whcih the bone marrow cells had been exposed. This system should prove useful for investigation in vitro of Friend virus--host cell interactions which lead to erythropoietin-independent erythropoiesis.

Towards time-dependent current-density-functional theory in the non-linear regime.

PubMed

Escartín, J M; Vincendon, M; Romaniello, P; Dinh, P M; Reinhard, P-G; Suraud, E

2015-02-28

Time-Dependent Density-Functional Theory (TDDFT) is a well-established theoretical approach to describe and understand irradiation processes in clusters and molecules. However, within the so-called adiabatic local density approximation (ALDA) to the exchange-correlation (xc) potential, TDDFT can show insufficiencies, particularly in violently dynamical processes. This is because within ALDA the xc potential is instantaneous and is a local functional of the density, which means that this approximation neglects memory effects and long-range effects. A way to go beyond ALDA is to use Time-Dependent Current-Density-Functional Theory (TDCDFT), in which the basic quantity is the current density rather than the density as in TDDFT. This has been shown to offer an adequate account of dissipation in the linear domain when the Vignale-Kohn (VK) functional is used. Here, we go beyond the linear regime and we explore this formulation in the time domain. In this case, the equations become very involved making the computation out of reach; we hence propose an approximation to the VK functional which allows us to calculate the dynamics in real time and at the same time to keep most of the physics described by the VK functional. We apply this formulation to the calculation of the time-dependent dipole moment of Ca, Mg and Na2. Our results show trends similar to what was previously observed in model systems or within linear response. In the non-linear domain, our results show that relaxation times do not decrease with increasing deposited excitation energy, which sets some limitations to the practical use of TDCDFT in such a domain of excitations.

Hardware-software face detection system based on multi-block local binary patterns

NASA Astrophysics Data System (ADS)

Acasandrei, Laurentiu; Barriga, Angel

2015-03-01

Face detection is an important aspect for biometrics, video surveillance and human computer interaction. Due to the complexity of the detection algorithms any face detection system requires a huge amount of computational and memory resources. In this communication an accelerated implementation of MB LBP face detection algorithm targeting low frequency, low memory and low power embedded system is presented. The resulted implementation is time deterministic and uses a customizable AMBA IP hardware accelerator. The IP implements the kernel operations of the MB-LBP algorithm and can be used as universal accelerator for MB LBP based applications. The IP employs 8 parallel MB-LBP feature evaluators cores, uses a deterministic bandwidth, has a low area profile and the power consumption is ~95 mW on a Virtex5 XC5VLX50T. The resulted implementation acceleration gain is between 5 to 8 times, while the hardware MB-LBP feature evaluation gain is between 69 and 139 times.

A portable platform for accelerated PIC codes and its application to GPUs using OpenACC

NASA Astrophysics Data System (ADS)

Hariri, F.; Tran, T. M.; Jocksch, A.; Lanti, E.; Progsch, J.; Messmer, P.; Brunner, S.; Gheller, C.; Villard, L.

2016-10-01

We present a portable platform, called PIC_ENGINE, for accelerating Particle-In-Cell (PIC) codes on heterogeneous many-core architectures such as Graphic Processing Units (GPUs). The aim of this development is efficient simulations on future exascale systems by allowing different parallelization strategies depending on the application problem and the specific architecture. To this end, this platform contains the basic steps of the PIC algorithm and has been designed as a test bed for different algorithmic options and data structures. Among the architectures that this engine can explore, particular attention is given here to systems equipped with GPUs. The study demonstrates that our portable PIC implementation based on the OpenACC programming model can achieve performance closely matching theoretical predictions. Using the Cray XC30 system, Piz Daint, at the Swiss National Supercomputing Centre (CSCS), we show that PIC_ENGINE running on an NVIDIA Kepler K20X GPU can outperform the one on an Intel Sandy bridge 8-core CPU by a factor of 3.4.

77 FR 42193 - Fisheries of the Economic Exclusive Zone Off Alaska; Shallow-Water Species Fishery by Vessels...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-18

.... 111207737-2141-02] RIN 0648-0648-XC112 Fisheries of the Economic Exclusive Zone Off Alaska; Shallow- Water...; closure. SUMMARY: NMFS is prohibiting directed fishing for species that comprise the shallow-water species... third seasonal apportionment of the Pacific halibut bycatch allowance specified for the shallow-water...

78 FR 11788 - Atlantic Highly Migratory Species; Atlantic Bluefin Tuna Fisheries; General Category Fishery

Federal Register 2010, 2011, 2012, 2013, 2014

2013-02-20

.... 120306154-2241-02] RIN 0648-XC506 Atlantic Highly Migratory Species; Atlantic Bluefin Tuna Fisheries... category fishery for large medium and giant Atlantic bluefin tuna (BFT) until the General category reopens... implemented under the authority of the Atlantic Tunas Convention Act (16 U.S.C. 971 et seq.) and the Magnuson...

78 FR 7280 - Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Cod by Catcher/Processors Using Pot...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-02-01

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration 50 CFR Part 679 [Docket No. 111213751-2102-02] RIN 0648-XC465 Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Cod by Catcher/Processors Using Pot Gear in the Bering Sea and Aleutian Islands Management Area AGENCY: National...

77 FR 58981 - Fisheries of the South Atlantic and Gulf of Mexico; South Atlantic Fishery Management Council...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-09-25

... (NOAA), Commerce. ACTION: Notice of public meeting. SUMMARY: The SAFMC will hold a meeting of its Social... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC181 Fisheries [email protected] . SUPPLEMENTARY INFORMATION: The SAFMC SEP is a sub-panel that addresses social and economic...

78 FR 25878 - Fisheries of the Exclusive Economic Zone Off Alaska; Atka Mackerel in the Bering Sea and Aleutian...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-03

.... 121018563-3148-02] RIN 0648-XC654 Fisheries of the Exclusive Economic Zone Off Alaska; Atka Mackerel in the Bering Sea and Aleutian Islands Management Area AGENCY: National Marine Fisheries Service (NMFS... Bering Sea and Aleutian Island management area (BSAI) by vessels participating in the BSAI trawl limited...

78 FR 9327 - Fisheries of the Exclusive Economic Zone Off Alaska; Reallocation of Pacific Cod in the Bering...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-02-08

.... 111213751-2102-02] RIN 0648-XC481 Fisheries of the Exclusive Economic Zone Off Alaska; Reallocation of Pacific Cod in the Bering Sea and Aleutian Islands Management Area AGENCY: National Marine Fisheries... in the Bering Sea and Aleutian Islands management area. This action is necessary to allow the A...

78 FR 41718 - Fisheries of the Exclusive Economic Zone Off Alaska; Kamchatka Flounder in the Bering Sea and...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-07-11

.... 121018563-3148-02] RIN 0648-XC750 Fisheries of the Exclusive Economic Zone Off Alaska; Kamchatka Flounder in the Bering Sea and Aleutian Islands Management Area AGENCY: National Marine Fisheries Service (NMFS... management area (BSAI). This action is necessary to prevent exceeding the 2013 Kamchatka flounder initial...

77 FR 48916 - Fisheries of the Exclusive Economic Zone Off Alaska; Arrowtooth Flounder in the Bering Sea and...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-15

.... 111213751-2102-02] RIN 0648-XC129 Fisheries of the Exclusive Economic Zone Off Alaska; Arrowtooth Flounder in the Bering Sea and Aleutian Islands Management Area AGENCY: National Marine Fisheries Service... management area (BSAI). This action is necessary to allow the fisheries to continue operating. It is intended...

77 FR 61300 - Fisheries of the Exclusive Economic Zone Off Alaska; Reallocation of Atka Mackerel in the Bering...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-09

.... 111213751-2102-02] RIN 0648-XC278 Fisheries of the Exclusive Economic Zone Off Alaska; Reallocation of Atka Mackerel in the Bering Sea and Aleutian Islands Management Area AGENCY: National Marine Fisheries Service... Amendment 80 cooperatives in the Bering Sea and Aleutian Islands management area (BSAI). This action is...

77 FR 44172 - Fisheries of the Exclusive Economic Zone Off Alaska; Squid in the Bering Sea and Aleutian Islands...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-27

... manages the groundfish fishery in the BSAI exclusive economic zone according to the Fishery Management.... 111213751-2102-02] RIN 0648-XC119 Fisheries of the Exclusive Economic Zone Off Alaska; Squid in the Bering Sea and Aleutian Islands Management Area AGENCY: National Marine Fisheries Service (NMFS), National...

77 FR 39441 - Fisheries of the Exclusive Economic Zone Off Alaska; Atka Mackerel in the Bering Sea and Aleutian...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-03

.... 111213751-2102-02] RIN 0648-XC083 Fisheries of the Exclusive Economic Zone Off Alaska; Atka Mackerel in the Bering Sea and Aleutian Islands Management Area AGENCY: National Marine Fisheries Service (NMFS... Bering Sea and Aleutian Islands management area (BSAI) by vessels participating in the BSAI trawl limited...

78 FR 29248 - Fisheries of the Exclusive Economic Zone Off Alaska; Alaska Plaice in the Bering Sea and Aleutian...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-20

.... 121018563-3418-02] RIN 0648-XC687 Fisheries of the Exclusive Economic Zone Off Alaska; Alaska Plaice in the Bering Sea and Aleutian Islands Management Area AGENCY: National Marine Fisheries Service (NMFS...: NMFS is prohibiting retention of Alaska plaice in the Bering Sea and Aleutian Islands management area...

77 FR 26212 - Fisheries of the Exclusive Economic Zone Off Alaska; Atka Mackerel in the Bering Sea and Aleutian...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-05-03

.... 111213751-2102-02] RIN 0648-XC013 Fisheries of the Exclusive Economic Zone Off Alaska; Atka Mackerel in the Bering Sea and Aleutian Islands Management Area AGENCY: National Marine Fisheries Service (NMFS... Bering Sea and Aleutian Island management area (BSAI) by vessels participating in the BSAI trawl limited...

78 FR 35771 - Fisheries of the Exclusive Economic Zone Off Alaska; Atka Mackerel in the Bering Sea and Aleutian...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-06-14

.... 121018563-3148-02] RIN 0648-XC724 Fisheries of the Exclusive Economic Zone Off Alaska; Atka Mackerel in the Bering Sea and Aleutian Islands Management Area AGENCY: National Marine Fisheries Service (NMFS... Bering Sea and Aleutian Islands management area (BSAI) by vessels participating in the BSAI trawl limited...

78 FR 52458 - Fisheries of the Exclusive Economic Zone Off Alaska; Arrowtooth Flounder in the Bering Sea and...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-23

.... 121018563-3148-02] RIN 0648-XC816 Fisheries of the Exclusive Economic Zone Off Alaska; Arrowtooth Flounder in the Bering Sea and Aleutian Islands Management Area AGENCY: National Marine Fisheries Service... Aleutian Islands management area (BSAI). This action is necessary to prevent exceeding the 2013 arrowtooth...

78 FR 57537 - Fisheries of the Exclusive Economic Zone Off Alaska; Shortraker Rockfish in the Bering Sea and...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-09-19

... exclusive economic zone according to the Fishery Management Plan for Groundfish of the Bering Sea and.... 121018563-3418-02] RIN 0648-XC876 Fisheries of the Exclusive Economic Zone Off Alaska; Shortraker Rockfish in the Bering Sea and Aleutian Islands Management Area AGENCY: National Marine Fisheries Service...

78 FR 42891 - Fisheries of the Exclusive Economic Zone Off Alaska; Rougheye Rockfish in the Bering Sea and...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-07-18

... manages the groundfish fishery in the BSAI exclusive economic zone according to the Fishery Management.... 121018563-3148-02] RIN 0648-XC761 Fisheries of the Exclusive Economic Zone Off Alaska; Rougheye Rockfish in the Bering Sea and Aleutian Islands Management Area AGENCY: National Marine Fisheries Service (NMFS...

77 FR 44501 - Fisheries of the Exclusive Economic Zone Off Alaska; Arrowtooth Flounder in the Bering Sea and...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-30

.... 111213751-2102-02] RIN 0648-XC129 Fisheries of the Exclusive Economic Zone Off Alaska; Arrowtooth Flounder in the Bering Sea and Aleutian Islands Management Area AGENCY: National Marine Fisheries Service... management area (BSAI). This action is necessary to allow the fisheries to continue operating. It is intended...

78 FR 64891 - Fisheries of the Exclusive Economic Zone Off Alaska; Atka Mackerel in the Bering Sea and Aleutian...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-30

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration 50 CFR Part 679 [Docket No. 121018563-3148-02] RIN 0648-XC946 Fisheries of the Exclusive Economic Zone Off Alaska; Atka Mackerel in the...), National Oceanic and Atmospheric Administration (NOAA), Commerce. ACTION: Temporary rule; closure. SUMMARY...

78 FR 64892 - Fisheries of the Exclusive Economic Zone Off Alaska; Atka Mackerel in the Bering Sea and Aleutian...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-30

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration 50 CFR Part 679 [Docket No. 121018563-3148-02] RIN 0648-XC945 Fisheries of the Exclusive Economic Zone Off Alaska; Atka Mackerel in the...), National Oceanic and Atmospheric Administration (NOAA), Commerce. ACTION: Temporary rule; closure. SUMMARY...

78 FR 5167 - BE-9: Quarterly Survey of Foreign Airline Operators' Revenues and Expenses in the United States

Federal Register 2010, 2011, 2012, 2013, 2014

2013-01-24

... DEPARTMENT OF COMMERCE Bureau of Economic Analysis [Docket No. 130111032-3032-01] XRIN 0691-XC003... AGENCY: Bureau of Economic Analysis, Commerce. ACTION: Notice of reporting requirements. SUMMARY: By this Notice, the Bureau of Economic Analysis (BEA), Department of Commerce is informing the public that it is...

77 FR 73556 - Fisheries of the Northeastern United States; Summer Flounder Fishery; Quota Transfer

Federal Register 2010, 2011, 2012, 2013, 2014

2012-12-11

.... 111220786-1781-01] RIN 0648-XC373 Fisheries of the Northeastern United States; Summer Flounder Fishery... of Maine is transferring a portion of its 2012 commercial summer flounder quota to the State of... summer flounder fishery are in 50 CFR part 648, and require annual specification of a commercial quota...

77 FR 69567 - Fisheries of the Northeastern United States; Summer Flounder Fishery; Quota Transfer

Federal Register 2010, 2011, 2012, 2013, 2014

2012-11-20

.... 111220786-1781-01] RIN 0648-XC340 Fisheries of the Northeastern United States; Summer Flounder Fishery... of North Carolina is transferring a portion of its 2012 commercial summer flounder quota to the State... governing the summer flounder fishery are in 50 CFR part 648, and require annual specification of a...

78 FR 66857 - Fisheries of the Northeastern United States; Summer Flounder Fishery; Quota Transfer

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-07

.... 121009528-2729-02] RIN 0648-XC932 Fisheries of the Northeastern United States; Summer Flounder Fishery... of Maine is transferring a portion of its 2013 commercial summer flounder quota to the State of... summer flounder fishery are in 50 CFR part 648, and require annual specification of a commercial quota...

Environmental Impact Statement. Disposal and Reuse of Williams Air Force Base, Arizona.

DTIC Science & Technology

1994-06-01

none native 4. Mulberry (Moraceae op.) 5. Pine (Pinaceae up.) 6. Desert Willow (Chilopsis linearis) 7. Red Bird of Paradise (Caesalpinia pulcherrima...Cecil P. A atomne Director Laud Un Phaulfi XC Governor Thoymma 1. Whiet Lt- GOOvenr Mary T. Thomas pas DEpAWTMENT OF THE AIR FORCE wwOOS Am FORM OA5 TWax

A More Challenging Interpretative Nitration Experiment Employing Substituted Benzoic Acids and Acetanilides

ERIC Educational Resources Information Center

Treadwell, Edward M.; Lin, Tung-Yin

2008-01-01

An experiment is described involving the nitration of ortho or meta monosubstituted benzoic acids (XC[subscript 6]H[subscript 4]CO[subscript 2]H, X = Halogen, Me, OH, or OMe) and monochlorinated acetanilides with nitric acid to determine the regioselectivity of addition by [superscript 1]H NMR spectroscopy and molecular modeling. Students were…

78 FR 30894 - Taking and Importing Marine Mammals; U.S. Navy Training in the Gulf of Alaska Temporary Maritime...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-23

... DEPARTMENT OF COMMERCE National Oceanic and Atmospheric Administration RIN 0648-XC640 Taking and... Marine Mammal Protection Act (MMPA), as amended by the National Defense Authorization Act of 2004 (NDAA.... Navy-funded marine mammal monitoring accomplishments within GOA TMAA for the past year consisted of the...

78 FR 16684 - General and Plastic Surgery Devices Panel of the Medical Devices Advisory Committee; Notice of...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-18

... provide timely notice. Therefore, you should always check the Agency's Web site at http://www.fda.gov...]derm Voluma XC is indicated for deep (dermal/subcutaneous and/or submuscular/ supraperiosteal... the background material on its Web site prior to the meeting, the background material will be made...

76 FR 41536 - Self-Regulatory Organizations; Notice of Filing and Immediate Effectiveness of Proposed Rule...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-14

.... Section X(a): Installation fees for new cabinets with power. 2. Section X(b): Installation fees for... period than the install timeframes. 3. Section X(c): Installation fees for cabinet power related to an order for a new cabinet. 4. Section X(d): Installation fees for cooling fans, perforated floor tiles and...

Orbital-Dependent-Functionals within Density Functional Theory: Methodology and Applications

NASA Astrophysics Data System (ADS)

Makmal, Adi

I have designed and implemented a new numerical scheme for solving Kohn-Sham (KS) equations for diatomic systems, together with a full solution of the OEP equation. The equations are solved on a real-space prolate spheroidal coordinate grid, such that all the system's electrons are taken into account. The OEP equation is solved via the S-iteration scheme. This newly developed software package is called DARSEC (DiAtomic Real-Space Electronic structure Calculations). It involves no approximation except for the one inherent in the XC functional. Thus it is especially suitable for examining new functionals of any kind, and ODFs in particular. It is also an ideal tool for assessing the validity of commonly used approximations, for the same reasons. One case for which this uniqueness of DARSEC was exploited in this thesis is the examination of the validity of the pseudopotential approximation for KS gaps that are calculated with EXX OEP (xOEP). Before this study, use of the pseudopotential approximation in such calculations was called into question. I have shown that KS gaps obtained with pseudopotentials that have been constructed in a manner consistent with the exact-exchange functional agree with the all-electron results (i.e. without the pseudopotential approximation), for the cases studied. This confirmed the reliability of the pseudopotential approximation for ODFs such as EXX. Explicit density-dependent XC functionals traditionally fail to obtain atomization-energy as well as charge-dissociation curves that are, at least qualitatively, correct for diatomic systems. On the other hand, Hartree-Fock (HF) theory encounters no such problem. Hence, an additional goal of this research was to study the performances of the EXX functional (being the DFT counterpart of HF) in describing binding energies and charge dissociations for stretched diatomic molecules. Moreover, I wanted to investigate the special features of the resulting single and local EXX KS potential, as opposed to the non-local orbital specific HF potentials. I asked the following questions: Is it at all possible to obtain correct binding energy curves and charge dissociation curves with the local exact-exchange KS potential? What are the main features of such a local KS potential? And how are they related to the spatial shapes of the KS orbitals? To answer these questions, I calculated the electronic structures of highly stretched H2, HF and LiF molecules with EXX, using the Krieger, Li, and Iafrate (KLI) scheme. All calculations were done with DARSEC, whose coordinate system is highly suitable for calculating such stretched diatomic molecules. By examining several electronic configurations in a systematic manner, low energy ones were identified, and qualitatively correct binding-energy curves were obtained. For the LiF molecule a qualitatively correct charge separation curve was also achieved. Once the local EXX KLI potential was obtained for highly stretched diatomic systems, I could study its properties. Specifically, I have identified and demonstrated the following features: (a) The location and size of a constant shift in the potential and its relation to orbital spatial shapes; (b) The dependence of the shift's position on the inter-atomic separation length; (c) The existence of multiple constant shifts of the same kind; (d) The relation between the eigenvalues of the highly stretched diatomic system and the corresponding eigenvalues of the separated atoms - and how this relation is correlated with the asymptotic shift of the local potential. Understanding this unique combination of features sheds light on the mechanism with which the EXX potential enforces the correct charge dissociation. Last, a study on a novel ODF was initiated. The new ODF, suggested by Stephan Kummel, has a local function that mixes a fraction of EXX with a complementary fraction of exchange of the homogenous electronic gas (LDA), where a different fraction is assigned for each point in space. To derive the corresponding potential, the functional derivative of the new energy expression with respect to the KS orbitals was analytically derived. The new energy and potential expressions were implemented into DARSEC, and preliminary examinations were carried out. (Abstract shortened by UMI.)

A real-time hybrid neuron network for highly parallel cognitive systems.

PubMed

Christiaanse, Gerrit Jan; Zjajo, Amir; Galuzzi, Carlo; van Leuken, Rene

2016-08-01

For comprehensive understanding of how neurons communicate with each other, new tools need to be developed that can accurately mimic the behaviour of such neurons and neuron networks under `real-time' constraints. In this paper, we propose an easily customisable, highly pipelined, neuron network design, which executes optimally scheduled floating-point operations for maximal amount of biophysically plausible neurons per FPGA family type. To reduce the required amount of resources without adverse effect on the calculation latency, a single exponent instance is used for multiple neuron calculation operations. Experimental results indicate that the proposed network design allows the simulation of up to 1188 neurons on Virtex7 (XC7VX550T) device in brain real-time yielding a speed-up of x12.4 compared to the state-of-the art.

Investigation of low-speed turbulent separated flow around airfoils

NASA Technical Reports Server (NTRS)

Wadcock, Alan J.

1987-01-01

Described is a low-speed wind tunnel experiment to measure the flowfield around a two-dimensional airfoil operating close to maximum lift. Boundary layer separation occurs on the upper surface at x/c=0.85. A three-component laser velocimeter, coupled with a computer-controlled data acquisition system, was used to obtain three orthogonal mean velocity components and three components of the Reynolds stress tensor in both the boundary layer and wake of the airfoil. Pressure distributions on the airfoil, skin friction distribution on the upper surface of the airfoil, and integral properties of the airfoil boudary layer are also documented. In addition to these near-field flow properties, static pressure distributions, both upstream and downstream from the airfoil and on the walls of the wind tunnel, are also presented.

One-Pot Synthesis of Graphene-Supported Monodisperse Pd Nanoparticles as Catalyst for Formic Acid Electro-oxidation

PubMed Central

Yang, Sudong; Dong, Jing; Yao, Zhaohui; Shen, Chengmin; Shi, Xuezhao; Tian, Yuan; Lin, Shaoxiong; Zhang, Xiaogang

2014-01-01

To synthesize monodisperse palladium nanoparticles dispersed on reduced graphene oxide (RGO) sheets, we have developed an easy and scalable solvothermal reduction method from an organic solution system. The RGO-supported palladium nanoparticles with a diameter of 3.8 nm are synthesized in N-methyl-2-pyrrolidone (NMP) and in the presence of oleylamine and trioctylphosphine, which facilitates simultaneous reduction of graphene oxide and formation of Pd nanocrystals. So-produced Pd/RGO was tested for potential use as electrocatalyst for the electro-oxidation of formic acid. Pd/RGO catalyzes formic acid oxidation very well compared to Pd/Vulcan XC-72 catalyst. This synthesis method is a new way to prepare excellent electrocatalysts, which is of great significance in energy-related catalysis. PMID:24675779

78 FR 14225 - Fisheries of the Caribbean, Gulf of Mexico, and South Atlantic; Gulf of Mexico Reef Fish Fishery...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-05

.... 120417412-2412-01] RIN 0648-XC510 Fisheries of the Caribbean, Gulf of Mexico, and South Atlantic; Gulf of Mexico Reef Fish Fishery; 2013 Accountability Measure for Gulf of Mexico Commercial Gray Triggerfish... measure (AM) for commercial gray triggerfish in the Gulf of Mexico (Gulf) reef fish fishery for the 2013...

78 FR 72583 - Reef Fish Fishery of the Gulf of Mexico; 2013 Accountability Measure and Closure for Hogfish in...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-12-03

..., Shrimp, and Coral and Coral Reefs Fishery Management Plans for the Gulf of Mexico (Generic ACL Amendment.... 100217097-1757-02] RIN 0648-XC981 Reef Fish Fishery of the Gulf of Mexico; 2013 Accountability Measure [email protected] . SUPPLEMENTARY INFORMATION: The reef fish fishery of the Gulf, which includes hogfish, is...

Biochemical Markers of Brain Injury: An Integrated Proteomics-Based Approach

DTIC Science & Technology

2011-12-01

levels to track the effects of Dextromethorphan therapy and correlation to histopathology and neurological outcome. 6 First we tested whether...diseases. Neurochem Int. 51:105-111. Shear DA, Williams AJ, Sharrow K, Lu XC and Tortella FC. (2009). Neuroprotective profile of dextromethorphan in...Figure 14. Dextromethorphan decreased GFAP in CSF after PBBI but did not lower other biomarkers. A-H

77 FR 46338 - Fisheries of the Economic Exclusive Zone Off Alaska; Deep-Water Species Fishery by Vessels Using...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-03

.... 111207737-2141-02] RIN 0648-XC142 Fisheries of the Economic Exclusive Zone Off Alaska; Deep-Water Species...: NMFS is prohibiting directed fishing for species that comprise the deep-water species fishery by... apportionment of the Pacific halibut bycatch allowance specified for the deep-water species fishery in the GOA...

78 FR 30242 - Fisheries of the Economic Exclusive Zone Off Alaska; Deep-Water Species Fishery by Vessels Using...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-22

.... 120918468-3111-02] RIN 0648-XC675 Fisheries of the Economic Exclusive Zone Off Alaska; Deep-Water Species...: NMFS is prohibiting directed fishing for species that comprise the deep-water species fishery by... apportionment of the Pacific halibut bycatch allowance specified for the deep-water species fishery in the GOA...

77 FR 24154 - Fisheries of the Economic Exclusive Zone Off Alaska; Deep-Water Species Fishery by Vessels Using...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-04-23

.... 111207737-2141-02] RIN 0648-XC001 Fisheries of the Economic Exclusive Zone Off Alaska; Deep-Water Species...: NMFS is prohibiting directed fishing for species that comprise the deep-water species fishery by... apportionment of the Pacific halibut bycatch allowance specified for the deep-water species fishery in the GOA...

78 FR 73454 - Fisheries of the Exclusive Economic Zone Off Alaska; Reallocation of Pacific Cod in the Central...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-12-06

... in the Gulf of Alaska exclusive economic zone according to the Fishery Management Plan for Groundfish.... 120918468-3111-02] RIN 0648-XC976 Fisheries of the Exclusive Economic Zone Off Alaska; Reallocation of Pacific Cod in the Central Regulatory Area of the Gulf of Alaska Management Area AGENCY: National Marine...

78 FR 73454 - Fisheries of the Exclusive Economic Zone Off Alaska; Reallocation of Pacific Cod in the Western...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-12-06

.... 120918468-3111-02] RIN 0648-XC975 Fisheries of the Exclusive Economic Zone Off Alaska; Reallocation of Pacific Cod in the Western Regulatory Area of the Gulf of Alaska Management Area AGENCY: National Marine... the Western Regulatory Area of the Gulf of Alaska management area (GOA). This action is necessary to...

77 FR 54838 - Fisheries of the Exclusive Economic Zone Off Alaska; Reallocation of Pacific Cod in the Western...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-09-06

.... 111207737-2141-02] RIN 0648-XC205 Fisheries of the Exclusive Economic Zone Off Alaska; Reallocation of Pacific Cod in the Western Regulatory Area of the Gulf of Alaska Management Area AGENCY: National Marine... Alaska management area. This action is necessary to allow the 2012 total allowable catch of Pacific cod...

78 FR 55228 - Fisheries of the Exclusive Economic Zone Off Alaska; Reallocation of Pacific Cod in the Western...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-09-10

... in the Gulf of Alaska exclusive economic zone according to the Fishery Management Plan for Groundfish.... 120918468-3111-02] RIN 0648-XC856 Fisheries of the Exclusive Economic Zone Off Alaska; Reallocation of Pacific Cod in the Western Regulatory Area of the Gulf of Alaska Management Area AGENCY: National Marine...

77 FR 60649 - Fisheries of the Exclusive Economic Zone Off Alaska; Pollock in the Herring Savings Areas of the...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-04

.... 111207737-2141-02] RIN 0648-XC277 Fisheries of the Exclusive Economic Zone Off Alaska; Pollock in the Herring Savings Areas of the Bering Sea and Aleutian Islands Management Area AGENCY: National Marine... INFORMATION: NMFS manages the groundfish fishery in the BSAI according to the Fishery Management Plan for...

78 FR 57097 - Fisheries of the Exclusive Economic Zone Off Alaska; Sharks in the Bering Sea and Aleutian...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-09-17

.... 121018563-3418-02] RIN 0648-XC872 Fisheries of the Exclusive Economic Zone Off Alaska; Sharks in the Bering... prohibiting retention of sharks in the Bering Sea and Aleutian Islands management area (BSAI). This action is necessary because the 2013 total allowable catch (TAC) of sharks in the BSAI has been reached. DATES...

77 FR 61573 - Science Advisory Board Satellite Task Force; Availability of Draft Report and Request for Comments

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-10

...-2506-01] RIN 0648-XC276 Science Advisory Board Satellite Task Force; Availability of Draft Report and... notice on behalf of the NOAA Science Advisory Board (SAB) to announce the availability of the draft..., 2012. ADDRESSES: The Draft Report of the SATTF will be available on the NOAA Science Advisory Board Web...

Relationships among dual-energy X-ray absorptiometry (DXA), bioelectrical impedance (BIA), and ultrasound measurements of body composition of swine

USDA-ARS?s Scientific Manuscript database

In three separate studies (156 pigs total), DXA, BIA, and ultrasound were compared as methods for measuring live body composition of pigs at 60 and 100-110 kg BWt. DXA measured total body fat and lean content, BIA measurements of resistance (Rs) and reactance (Xc) were used to calculate total body l...

77 FR 34262 - Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch in the Western Aleutian...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-11

.... 111213751-2102-02] RIN 0648-XC061 Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch.... ACTION: Temporary rule; closure. SUMMARY: NMFS is prohibiting directed fishing for Pacific ocean perch in... allocation of Pacific ocean perch in this area allocated to vessels participating in the BSAI trawl limited...

77 FR 42439 - Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch in the West Yakutat...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-19

.... 111207737-2141-02] RIN 0648-XC113 Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch...: NMFS is prohibiting directed fishing for Pacific ocean perch in the West Yakutat District of the Gulf...) of Pacific ocean perch in the West Yakutat District of the GOA. DATES: Effective 1200 hrs, Alaska...

78 FR 42718 - Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch in the Bering Sea and...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-07-17

.... 121018563-3148-02] RIN 0648-XC757 Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch...; closure. SUMMARY: NMFS is prohibiting directed fishing for Pacific ocean perch in the Western Aleutian... allowable catch (TAC) of Pacific ocean perch in this area allocated to vessels participating in the BSAI...

78 FR 44465 - Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch in the West Yakutat...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-07-24

.... 120918468-3111-02] RIN 0648-XC771 Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch...: NMFS is prohibiting directed fishing for Pacific ocean perch in the West Yakutat District of the Gulf...) of Pacific ocean perch in the West Yakutat District of the GOA. DATES: Effective 1200 hours, Alaska...

77 FR 39440 - Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch in the Central Aleutian...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-03

.... 111213751-2102-02] RIN 0648-XC085 Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch.... ACTION: Temporary rule; closure. SUMMARY: NMFS is prohibiting directed fishing for Pacific ocean perch in... allocation of Pacific ocean perch in this area allocated to vessels participating in the BSAI trawl limited...

77 FR 41332 - Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch in the Western...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-13

.... 111207737-2141-02] RIN 0648-XC109 Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch...: NMFS is prohibiting retention of Pacific ocean perch in the Western Regulatory Area of the Gulf of Alaska (GOA). This action is necessary because the 2012 total allowable catch (TAC) of Pacific ocean...

77 FR 39649 - Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch in the Western...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-05

.... 111207737-2141-02] RIN 0648-XC086 Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch...: NMFS is prohibiting directed fishing for Pacific ocean perch in the Western Regulatory Area of the Gulf...) of Pacific ocean perch in the Western Regulatory Area of the GOA. DATES: Effective 1200 hrs, Alaska...

78 FR 39631 - Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch in the Western...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-07-02

.... 120918468-3111-02] RIN 0648-XC739 Fisheries of the Exclusive Economic Zone Off Alaska; Pacific Ocean Perch...: NMFS is prohibiting directed fishing for Pacific ocean perch in the Western Regulatory Area of the Gulf... Pacific ocean perch in the Western Regulatory Area of the GOA. DATES: Effective 1200 hours, Alaska local...

Corona[5]arenes Accessed by a Macrocycle-to-Macrocycle Transformation Route and a One-Pot Three-Component Reaction.

PubMed

Wu, Zhi-Chen; Guo, Qing-Hui; Wang, Mei-Xiang

2017-06-12

Corona[5]arenes, a novel type of macrocyclic compound that is composed of alternating heteroatoms and para-arylenes, were synthesized efficiently by two distinct methods. In a macrocycle-to-macrocycle transformation approach, S 6 -corona[3]arene[3]tetrazine underwent sequential S N Ar reactions with HS-C 6 H 4 -X-C 6 H 4 -SH (X=S, CH 2 , CMe 2 , SO 2 , and O) to produce the corresponding corona[3]arene[2]tetrazines. Different corona[3]arene[2]tetrazine compounds were also constructed in a straightforward manner by a one-pot three-component reaction of HS-C 6 H 4 -X-C 6 H 4 -SH (X=S, CH 2 , CMe 2 , SO 2 , and O) with diethyl 2,5-dimercaptoterephthalate and 2 equiv of 3,6-dichlorotetrazine under very mild conditions. All corona[5]arenes adopted 1,2,4-alternate conformational structures in the crystalline state yielding similar nearly regular pentagonal cavities. Both the cavity size and the electronic property of the acquired macrocycles were fine-tuned by the nature of the bridging element X. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Noncompetitive Effect of Gambogic Acid Displaces Fluorescence-Labeled ATP but Requires ATP for Binding to Hsp90/HtpG.

PubMed

Yue, Qing; Stahl, Frank; Plettenburg, Oliver; Kirschning, Andreas; Warnecke, Athanasia; Zeilinger, Carsten

2018-05-08

The heat shock protein 90 (Hsp90) family plays a critical role in maintaining the homeostasis of the intracellular environment for human and prokaryotic cells. Hsp90 orthologues were identified as important target proteins for cancer and plant disease therapies. It was shown that gambogic acid (GBA) has the potential to inhibit human Hsp90. However, it is unknown whether it is also able to act on the bacterial high-temperature protein (HtpG) analogue. In this work, we screened GBA and nine other novel potential Hsp90 inhibitors using a miniaturized high-throughput protein microarray-based assay and found that GBA shows an inhibitory effect on different Hsp90s after dissimilarity analysis of the protein sequence alignment. The dissociation constant of GBA and HtpG Xanthomonas (XcHtpG) computed from microscale thermophoresis is 682.2 ± 408 μM in the presence of ATP, which is indispensable for the binding of GBA to XcHtpG. Our results demonstrate that GBA is a promising Hsp90/HtpG inhibitor. The work further demonstrates that our assay concept has great potential for finding new potent Hsp/HtpG inhibitors.

Fragility, network adaptation, rigidity- and stress- transitions in homogenized binary GexS100-x glasses

NASA Astrophysics Data System (ADS)

Chakraborty, Shibalik; Boolchand, Punit

2014-03-01

Binary GexS100-x glasses reveal elastic and chemical phase transitions driven by network topology. With increasing Ge content x, well defined rigidity (xc(1) =19.3%) and stress(xc(2) =24.85%) transitions and associated optical elasticity power-laws are observed in Raman scattering. Calorimetric measurements reveal a square-well like minimum with window walls that coincide with the two elastic phase transitions. Molar volumes show a trapezoidal-like minimum with edges that nearly coincide with the reversibility window. These results are signatures of the isostatically rigid nature of the elastic phase formed between the rigidity and stress transitions. Complex Cp measurements show melt fragility index, m(x) to also show a global minimum in the reversibility window, underscoring that melt dynamics encode the elastic behavior of the glass formed at Tg. The strong nature of melts formed in the IP has an important practical consequence; they lead to slow homogenization of non-stoichiometric batch compositions reacted at high temperatures. Homogenization of chalcogenides melts/glasses over a scale of a few microns is a pre-requisite to observe the intrinsic physical properties of these materials. Supported by NSF Grant DMR 0853957.

Thermal affected zone obtained in machining steel XC42 by high-power continuous CO 2 laser

NASA Astrophysics Data System (ADS)

Jebbari, Neila; Jebari, Mohamed Mondher; Saadallah, Faycal; Tarrats-Saugnac, Annie; Bennaceur, Raouf; Longuemard, Jean Paul

2008-09-01

A high-power continuous CO 2 laser (4 kW) can provide energy capable of causing melting or even, with a special treatment of the surface, vaporization of an XC42-steel sample. The laser-metal interaction causes an energetic machining mechanism, which takes place according to the assumption that the melting front precedes the laser beam, such that the laser beam interacts with a preheated surface whose temperature is near the melting point. The proposed model, obtained from the energy balance during the interaction time, concerns the case of machining with an inert gas jet and permits the calculation of the characteristic parameters of the groove according to the characteristic laser parameters (absorbed laser energy and impact diameter of the laser beam) and allows the estimation of the quantity of the energy causing the thermal affected zone (TAZ). This energy is equivalent to the heat quantity that must be injected in the heat propagation equation. In the case of a semi-infinite medium with fusion temperature at the surface, the resolution of the heat propagation equation gives access to the width of the TAZ.

Kinetic enhancement via passive deposition of carbon-based nanomaterials in vanadium redox flow batteries

NASA Astrophysics Data System (ADS)

Aaron, Doug; Yeom, Sinchul; Kihm, Kenneth D.; Ashraf Gandomi, Yasser; Ertugrul, Tugrul; Mench, Matthew M.

2017-10-01

Addition of carbon-based nanomaterials to operating flow batteries accomplishes vanadium redox flow battery performance improvement. Initial efforts focus on addition of both pristine graphene and vacuum-filtered reduced graphene oxide (rGO) film on carbon paper supporting electrodes. While the former is unable to withstand convective flow through the porous electrode, the latter shows measurable kinetic improvement, particularly when laid on the polymer electrolyte membrane (PEM) side of the electrode; in contrast to the kinetic performance gain, a deleterious impact on mass transport is observed. Based on this tradeoff, further improvement is realized using perforated rGO films placed on the PEM side of the electrodes. Poor mass transport in the dense rGO film prompts identification of a more uniform, passive deposition method. A suspension of rGO flakes or Vulcan carbon black (XC-72R), both boasting two orders-of-magnitude greater specific surface area than that of common carbon electrodes, is added to the electrolyte reservoirs and allowed to passively deposit on the carbon paper or carbon felt supporting electrodes. For common carbon felt electrodes, addition of rGO flakes or XC-72R enables a tripling of current density at the same 80% voltage efficiency.

Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen benzenesulfonamides, 4-X-C 6H 4SO 2NH 2 (X = Cl, Br or F)

NASA Astrophysics Data System (ADS)

Karabacak, Mehmet; Çınar, Mehmet; Çoruh, Ali; Kurt, Mustafa

2009-02-01

In the present study, the structural properties of para-halogen benzenesulfonamides, 4-XC 6H 4SO 2NH 2 (4-chlorobenzenesulfonamide (I), 4-bromobenzenesulfonamide (II) and 4-fluorobenzenesulfonamide (III)) have been studied extensively utilizing ab initio Hartree-Fock (HF) and density functional theory (DFT) employing B3LYP exchange correlation. The vibrational frequencies were calculated and scaled values were compared with experimental values. The complete assignments were performed on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method. The effects of the halogen substituent on the characteristic benzenesulfonamides bands in the spectra are discussed. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of the molecules were calculated using the Gauge-Invariant Atomic Orbital (GIAO) method. Finally, geometric parameters, vibrational bands and chemical shifts were compared with available experimental data of the molecules. The fully optimized geometries of the molecules were found to be consistent with the X-ray crystal structures. The observed and calculated frequencies and chemical shifts were found to be in very good agreement.

[Microeukaryotic biodiversity in the waste ore samples surrounding an acid mine drainage lake].

PubMed

Li, Si-Yuan; Hao, Chun-Bo; Wang, Li-Hua; Lü, Zheng; Zhang, Li-Na; Liu, Ying; Feng, Chuan-Ping

2013-10-01

The abandoned mineral samples were collected in an acid mine drainage area in Anhui Province. Molecular ecological methods were used to construct 18S rDNA clone libraries after analyzing the main physicochemical parameters, and then the microeukaryotic diversity and community structure in the acid mine drainage area were studied. The results showed that the region was strongly acidic (pH <3), and the concentrations of Fe, SO2-(4), P, NO-(3) -N showed the same trend, all higher in the bare waste ore samples PD and 1 M than in the vegetation covered samples LW and XC. Four eukaryotic phyla were detected in the abandoned mineral samples: Ascomycota, Basidiomycota, Glomeromycota and Arthropoda. Glomeromycota can form an absolute symbiotic relationship with the plant, and it was a key factor for early plant to adapt the terrestrial environment. The biodiversity of the vegetation covered samples LW and XC, which contained Glomeromycota, was much higher than that of the bare abandoned rock samples PD and 1 M. Moreover, many sequences in the libraries were closely related to some isolated strains, which are tolerant to low pH and heavy metals, such as Penicillium purpurogenum, Chaetothyriales sp. and Staninwardia suttonii.

A novel binary Pt 3Te x/C nanocatalyst for ethanol electro-oxidation

NASA Astrophysics Data System (ADS)

Huang, Meihua; Wang, Fei; Li, Lirong; Guo, Yonglang

The Pt 3Te x/C nanocatalyst was prepared and its catalytic performance for ethanol oxidation was investigated for the first time. The Pt 3Te/C nanoparticles were characterized by an X-ray diffractometer (XRD), transmission electron microscope (TEM) and energy dispersive X-ray spectroscopy equipped with TEM (TEM-EDX). The Pt 3Te/C catalyst has a typical fcc structure of platinum alloys with the presence of Te. Its particle size is about 2.8 nm. Among the synthesized catalysts with different atomic ratios, the Pt 3Te/C catalyst has the highest anodic peak current density. The cyclic voltammograms (CV) show that the anodic peak current density for the Pt 3Te/C, commercial PtRu/C and Pt/C catalysts reaches 1002, 832 and 533 A g -1, respectively. On the current-time curve, the anodic current on the Pt 3Te/C catalyst was higher than those for the catalysts reported. So, these findings show that the Pt 3Te/C catalyst has uniform nanoparticles and the best activity among the synthesized catalysts, and it is better than commercial PtRu/C and Pt/C catalysts for ethanol oxidation at room temperature.

A new DFT approach to model small polarons in oxides with proper account for long-range polarization

NASA Astrophysics Data System (ADS)

Kokott, Sebastian; Levchenko, Sergey V.; Scheffler, Matthias; Theory Department Team

In this work, we address two important challenges in the DFT description of small polarons (excess charges localized within one unit cell): sensitivity to the errors in exchange-correlation (XC) treatment and finite-size effects in supercell calculations. The polaron properties are obtained using a modified neutral potential-energy surface (PES). Using the hybrid HSE functional and considering the whole range 0 <= α <= 1 , we show that the modified PES model significantly reduces the dependence of the polaron level and binding energy in MgO and TiO2 on the XC functional. It does not eliminate the dependence on supercell size. Based on Pekar's model, we derive the proper long-range behavior of the polaron and a finite-size correction that allows to obtain the polaron properties in the dilute limit (tested for supercells containing up to 1,000 atoms). The developed approach reduces drastically the computational time for exploring the polaron PES, and gives a consistent description of polarons for the whole range of α. It allowed us to find a self-trapped hole in MgO that is noticeably more stable than reported previously. partially supported by UniCat (Deutsche Forschungsgemeinschaft).

A robust embedded vision system feasible white balance algorithm

NASA Astrophysics Data System (ADS)

Wang, Yuan; Yu, Feihong

2018-01-01

White balance is a very important part of the color image processing pipeline. In order to meet the need of efficiency and accuracy in embedded machine vision processing system, an efficient and robust white balance algorithm combining several classical ones is proposed. The proposed algorithm mainly has three parts. Firstly, in order to guarantee higher efficiency, an initial parameter calculated from the statistics of R, G and B components from raw data is used to initialize the following iterative method. After that, the bilinear interpolation algorithm is utilized to implement demosaicing procedure. Finally, an adaptive step adjustable scheme is introduced to ensure the controllability and robustness of the algorithm. In order to verify the proposed algorithm's performance on embedded vision system, a smart camera based on IMX6 DualLite, IMX291 and XC6130 is designed. Extensive experiments on a large amount of images under different color temperatures and exposure conditions illustrate that the proposed white balance algorithm avoids color deviation problem effectively, achieves a good balance between efficiency and quality, and is suitable for embedded machine vision processing system.

Design and Implementation of a Mechanical Control System for the Scanning Microwave Limb Sounder

NASA Technical Reports Server (NTRS)

Bowden, William

2011-01-01

The Scanning Microwave Limb Sounder (SMLS) will use technological improvements in low noise mixers to provide precise data on the Earth's atmospheric composition with high spatial resolution. This project focuses on the design and implementation of a real time control system needed for airborne engineering tests of the SMLS. The system must coordinate the actuation of optical components using four motors with encoder readback, while collecting synchronized telemetric data from a GPS receiver and 3-axis gyrometric system. A graphical user interface for testing the control system was also designed using Python. Although the system could have been implemented with a FPGA-based setup, we chose to use a low cost processor development kit manufactured by XMOS. The XMOS architecture allows parallel execution of multiple tasks on separate threads-making it ideal for this application and is easily programmed using XC (a subset of C). The necessary communication interfaces were implemented in software, including Ethernet, with significant cost and time reduction compared to an FPGA-based approach. For these reasons, the XMOS technology is an attractive, cost effective, alternative to FPGA-based technologies for this design and similar rapid prototyping projects.

Evolution of critical pressure with increasing Fe substitution in the heavy-fermion system URu 2 - x Fe x Si 2

DOE PAGES

Wolowiec, C. T.; Kanchanavatee, N.; Huang, K.; ...

2016-08-29

Measurements of electrical resistivity, ρ(T ), were performed under quasihydrostatic pressure up to P ~ 2.2 GPa to determine the pressure dependence of the so-called hidden order (HO) and large-moment antiferromagnetic (LMAFM) phases for the URu 2-xFexSi2 system with x = 0.025, 0.05, 0.10, 0.15, and 0.20. As the Fe concentration (x) is increased, we observed that a smaller amount of external pressure, P c, is required to induce the HO → LMAFM phase transition. A critical pressure of P c ~ 1.2 GPa at x = 0.025 reduces to P c ~ 0 at x = 0.15, suggesting themore » URu 2-xFe xSi 2 system is fully expressed in the LMAFM phase for x ≥ x* c = 0.15, where x * c denotes the ambient pressure critical concentration of Fe. Furthermore, when using a bulk modulus calculation to convert x to chemical pressure, P ch(x), we consistently found that the induced HO → LMAFM phase transition occurred at various combinations of x c and P c such that P ch(x c) + P c ≈ 1.5 GPa, where xc denotes those critical concentrations of Fe that induce the HO→LMAFM phase transition for the URu 2-xFe xSi 2 compounds under pressure. We performed exponential fits of ρ(T ) in the HO and LMAFM phases in order to determine the pressure dependence of the energy gap, , that opens over part of the Fermi surface in the transition from the paramagnetic (PM) phase to the HO/LMAFM phase at the transition temperature, T 0. Finally, this change in the pressure variation of Δ(P) at the HO→LMAFM phase transition is consistent with the values of P c determined from the T 0(P) phase lines at the PM→HO/LMAFM transition.« less

77 FR 56168 - Reef Fish Fishery of the Gulf of Mexico; Gulf of Mexico Individual Fishing Quota Programs

Federal Register 2010, 2011, 2012, 2013, 2014

2012-09-12

.... 090206140-91081-03] RIN 0648-XC227 Reef Fish Fishery of the Gulf of Mexico; Gulf of Mexico Individual... red snapper and grouper/tilefish components of the reef fish fishery in the Gulf of Mexico (Gulf), the... INFORMATION: The reef fish fishery of the Gulf of Mexico is managed under the Fishery Management Plan for Reef...

Production and Coating of Pure Boron Powders

DTIC Science & Technology

1990-03-30

Na required to react with TiCl4 or ZrCl4 downstream of the nozzle, the product gas from the reactor consists of 3 moles of NaCl for each mole of...boron plus [4 x Xc x (number of moles of boron)] moles of Na, where 4 is the stoichiometry required to convert TiC14 (or ZrCl4 ) to free coating metal

77 FR 60945 - 2012-2013 Accountability Measure and Closure for Commercial Black Sea Bass in the South Atlantic

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-05

.... 0907271173-0629-03] RIN 0648-XC152 2012-2013 Accountability Measure and Closure for Commercial Black Sea Bass... accountability measure (AM) for the commercial sector of black sea bass in the exclusive economic zone (EEZ) of... (ACL) (equal to the commercial quota) for black sea bass will have been reached by October 8, 2012...

77 FR 56791 - Main Hawaiian Islands Deep 7 Bottomfish Annual Catch Limits and Accountability Measures for 2012-13

Federal Register 2010, 2011, 2012, 2013, 2014

2012-09-14

... of the State's bottomfish restricted areas. The analyses in the most recent (2010) MHI Deep 7.... 120628195-2414-02] RIN 0648-XC089 Main Hawaiian Islands Deep 7 Bottomfish Annual Catch Limits and... specifies a quota of 325,000 lb of Deep 7 bottomfish in the main Hawaiian Islands for the 2012-13 fishing...

The Road to Gold: Training and Peaking Characteristics in the Year Prior to a Gold Medal Endurance Performance

PubMed Central

Tønnessen, Espen; Sylta, Øystein; Haugen, Thomas A.; Hem, Erlend; Svendsen, Ida S.; Seiler, Stephen

2014-01-01

Purpose To describe training variations across the annual cycle in Olympic and World Champion endurance athletes, and determine whether these athletes used tapering strategies in line with recommendations in the literature. Methods Eleven elite XC skiers and biathletes (4 male; 28±1 yr, 85±5 mL. min−1. kg−1 , 7 female, 25±4 yr, 73±3 mL. min−1. kg−1 ) reported one year of day-to-day training leading up to the most successful competition of their career. Training data were divided into periodization and peaking phases and distributed into training forms, intensity zones and endurance activity forms. Results Athletes trained ∼800 h/500 sessions.year−1, including ∼500 h. year−1 of sport-specific training. Ninety-four percent of all training was executed as aerobic endurance training. Of this, ∼90% was low intensity training (LIT, below the first lactate threshold) and 10% high intensity training (HIT, above the first lactate threshold) by time. Categorically, 23% of training sessions were characterized as HIT with primary portions executed at or above the first lactate turn point. Training volume and specificity distribution conformed to a traditional periodization model, but absolute volume of HIT remained stable across phases. However, HIT training patterns tended to become more polarized in the competition phase. Training volume, frequency and intensity remained unchanged from pre-peaking to peaking period, but there was a 32±15% (P<.01) volume reduction from the preparation period to peaking phase. Conclusions The annual training data for these Olympic and World champion XC skiers and biathletes conforms to previously reported training patterns of elite endurance athletes. During the competition phase, training became more sport-specific, with 92% performed as XC skiing. However, they did not follow suggested tapering practice derived from short-term experimental studies. Only three out of 11 athletes took a rest day during the final 5 days prior to their most successful competition. PMID:25019608

The road to gold: training and peaking characteristics in the year prior to a gold medal endurance performance.

PubMed

Tønnessen, Espen; Sylta, Øystein; Haugen, Thomas A; Hem, Erlend; Svendsen, Ida S; Seiler, Stephen

2014-01-01

To describe training variations across the annual cycle in Olympic and World Champion endurance athletes, and determine whether these athletes used tapering strategies in line with recommendations in the literature. Eleven elite XC skiers and biathletes (4 male; 28±1 yr, 85±5 mL x min(-1) x kg(-1) VO2max, 7 female, 25±4 yr, 73±3 mL x min(-1) x kg(-1) VO2max) reported one year of day-to-day training leading up to the most successful competition of their career. Training data were divided into periodization and peaking phases and distributed into training forms, intensity zones and endurance activity forms. Athletes trained ∼800 h/500 sessions x year(-1), including ∼500 h x year(-1) of sport-specific training. Ninety-four percent of all training was executed as aerobic endurance training. Of this, ∼90% was low intensity training (LIT, below the first lactate threshold) and 10% high intensity training (HIT, above the first lactate threshold) by time. Categorically, 23% of training sessions were characterized as HIT with primary portions executed at or above the first lactate turn point. Training volume and specificity distribution conformed to a traditional periodization model, but absolute volume of HIT remained stable across phases. However, HIT training patterns tended to become more polarized in the competition phase. Training volume, frequency and intensity remained unchanged from pre-peaking to peaking period, but there was a 32±15% (P<.01) volume reduction from the preparation period to peaking phase. The annual training data for these Olympic and World champion XC skiers and biathletes conforms to previously reported training patterns of elite endurance athletes. During the competition phase, training became more sport-specific, with 92% performed as XC skiing. However, they did not follow suggested tapering practice derived from short-term experimental studies. Only three out of 11 athletes took a rest day during the final 5 days prior to their most successful competition.

Dependence of Excited State Potential Energy Surfaces on the Spatial Overlap of the Kohn-Sham Orbitals and the Amount of Nonlocal Hartree-Fock Exchange in Time-Dependent Density Functional Theory.

PubMed

Plötner, Jürgen; Tozer, David J; Dreuw, Andreas

2010-08-10

Time-dependent density functional theory (TDDFT) with standard GGA or hybrid exchange-correlation functionals is not capable of describing the potential energy surface of the S1 state of Pigment Yellow 101 correctly; an additional local minimum is observed at a twisted geometry with substantial charge transfer (CT) character. To investigate the influence of nonlocal exact orbital (Hartree-Fock) exchange on the shape of the potential energy surface of the S1 state in detail, it has been computed along the twisting coordinate employing the standard BP86, B3LYP, and BHLYP xc-functionals as well as the long-range separated (LRS) exchange-correlation (xc)-functionals LC-BOP, ωB97X, ωPBE, and CAM-B3LYP and compared to RI-CC2 benchmark results. Additionally, a recently suggested Λ-parameter has been employed that measures the amount of CT in an excited state by calculating the spatial overlap of the occupied and virtual molecular orbitals involved in the transition. Here, the error in the calculated S1 potential energy curves at BP86, B3LYP, and BHLYP can be clearly related to the Λ-parameter, i.e., to the extent of charge transfer. Additionally, it is demonstrated that the CT problem is largely alleviated when the BHLYP xc-functional is employed, although it still exhibits a weak tendency to underestimate the energy of CT states. The situation improves drastically when LRS-functionals are employed within TDDFT excited state calculations. All tested LRS-functionals give qualitatively the correct potential energy curves of the energetically lowest excited states of P. Y. 101 along the twisting coordinate. While LC-BOP and ωB97X overcorrect the CT problem and now tend to give too large excitation energies compared to other non-CT states, ωPBE and CAM-B3LYP are in excellent agreement with the RI-CC2 results, with respect to both the correct shape of the potential energy curve as well as the absolute values of the calculated excitation energies.

Carbon Isotope Characterization of Organic Intermediaries in Hydrothermal Hydrocarbon Synthesis by Pyrolysis-GC-MS-C-IRMS

NASA Technical Reports Server (NTRS)

Socki, Richard A.; Fu, Qi; Niles, Paul B.

2010-01-01

We report results of experiments designed to characterize the carbon isotope composition of intermediate organic compounds produced as a result of mineral surface catalyzed reactions. The impetus for this work stems from recently reported detection of methane in the Martian atmosphere coupled with evidence showing extensive water-rock interaction during Martian history. Abiotic formation by Fischer-Tropsch-type (FTT) synthesis during serpentinization reactions may be one possible process responsible for methane generation on Mars, and measurement of carbon and hydrogen isotopes of intermediary organic compounds can help constrain the origin of this methane. Of particular interest within the context of this work is the isotopic composition of organic intermediaries produced on the surfaces of mineral catalysts (i.e. magnetite) during hydrothermal experiments, and the ability to make meaningful and reproducible isotope measurements. Our isotope measurements utilize a unique analytical technique combining Pyrolysis-Gas Chromatograph-Mass Spectrometry-Combustion-Isotope Ratio Mass Specrometry (Py-GC-MS-C-IRMS). Others have conducted similar pyrolysis-IRMS experiments on low molecular weight organic acids (Dias, et al, Organic Geochemistry, 33 [2002]). Our technique differs in that it carries a split of the pyrolyzed GC-separated product to a Thermo DSQ-II quadrupole mass spectrometer as a means of making qualitative and semi-quantitative compositional measurements of the organic compounds. A sample of carboxylic acid (mixture of C1 through C6) was pyrolyzed at 100 XC and passed through the GC-MS-C-IRMS (combusted at 940 XC). In order to test the reliability of our technique we compared the _13C composition of different molecular weight organic acids (from C1 through C6) extracted individually by the traditional sealed-tube cupric oxide combustion (940 XC) method with the _13C produced by our pyrolysis technique. Our data indicate that an average 4.3. +/-0.5. (V-PDB) apparent isotopic fractionation accompanies the pyrolysis extractions. We postulate that this isotope offset could be the result of incomplete thermal desorption during pyrolysis. We are continuing to investigate the reliability of this pyrolysis technique for correcting carbon isotope measurements of mineral surface catalyzed organic compounds.

Novel intelligent real-time position tracking system using FPGA and fuzzy logic.

PubMed

Soares dos Santos, Marco P; Ferreira, J A F

2014-03-01

The main aim of this paper is to test if FPGAs are able to achieve better position tracking performance than software-based soft real-time platforms. For comparison purposes, the same controller design was implemented in these architectures. A Multi-state Fuzzy Logic controller (FLC) was implemented both in a Xilinx(®) Virtex-II FPGA (XC2v1000) and in a soft real-time platform NI CompactRIO(®)-9002. The same sampling time was used. The comparative tests were conducted using a servo-pneumatic actuation system. Steady-state errors lower than 4 μm were reached for an arbitrary vertical positioning of a 6.2 kg mass when the controller was embedded into the FPGA platform. Performance gains up to 16 times in the steady-state error, up to 27 times in the overshoot and up to 19.5 times in the settling time were achieved by using the FPGA-based controller over the software-based FLC controller. © 2013 ISA. Published by Elsevier Ltd. All rights reserved.

FPGA based hardware optimized implementation of signal processing system for LFM pulsed radar

NASA Astrophysics Data System (ADS)

Azim, Noor ul; Jun, Wang

2016-11-01

Signal processing is one of the main parts of any radar system. Different signal processing algorithms are used to extract information about different parameters like range, speed, direction etc, of a target in the field of radar communication. This paper presents LFM (Linear Frequency Modulation) pulsed radar signal processing algorithms which are used to improve target detection, range resolution and to estimate the speed of a target. Firstly, these algorithms are simulated in MATLAB to verify the concept and theory. After the conceptual verification in MATLAB, the simulation is converted into implementation on hardware using Xilinx FPGA. Chosen FPGA is Xilinx Virtex-6 (XC6LVX75T). For hardware implementation pipeline optimization is adopted and also other factors are considered for resources optimization in the process of implementation. Focusing algorithms in this work for improving target detection, range resolution and speed estimation are hardware optimized fast convolution processing based pulse compression and pulse Doppler processing.

Quasi-Two-Dimensional Magnetism in Co-Based Shandites

NASA Astrophysics Data System (ADS)

Kassem, Mohamed A.; Tabata, Yoshikazu; Waki, Takeshi; Nakamura, Hiroyuki

2016-06-01

We report quasi-two-dimensional (Q2D) itinerant electron magnetism in the layered Co-based shandites. Comprehensive magnetization measurements were performed using single crystals of Co3Sn2-xInxS2 (0 ≤ x ≤ 2) and Co3-yFeySn2S2 (0 ≤ y ≤ 0.5). The magnetic parameters of both systems; the Curie temperature TC, effective moment peff and spontaneous moment ps; exhibit almost identical variations against the In- and Fe-concentrations, indicating significance of the electron count on the magnetism in the Co-based shandite. The ferromagnetic-nonmagnetic quantum phase transition is found around xc ˜ 0.8. Analysis based on the extended Q2D spin fluctuation theory clearly reveals the highly Q2D itinerant electron character of the ferromagnetism in the Co-based shandites.

RPYFMM: Parallel adaptive fast multipole method for Rotne-Prager-Yamakawa tensor in biomolecular hydrodynamics simulations

NASA Astrophysics Data System (ADS)

Guan, W.; Cheng, X.; Huang, J.; Huber, G.; Li, W.; McCammon, J. A.; Zhang, B.

2018-06-01

RPYFMM is a software package for the efficient evaluation of the potential field governed by the Rotne-Prager-Yamakawa (RPY) tensor interactions in biomolecular hydrodynamics simulations. In our algorithm, the RPY tensor is decomposed as a linear combination of four Laplace interactions, each of which is evaluated using the adaptive fast multipole method (FMM) (Greengard and Rokhlin, 1997) where the exponential expansions are applied to diagonalize the multipole-to-local translation operators. RPYFMM offers a unified execution on both shared and distributed memory computers by leveraging the DASHMM library (DeBuhr et al., 2016, 2018). Preliminary numerical results show that the interactions for a molecular system of 15 million particles (beads) can be computed within one second on a Cray XC30 cluster using 12,288 cores, while achieving approximately 54% strong-scaling efficiency.

Efficient Smart CMOS Camera Based on FPGAs Oriented to Embedded Image Processing

PubMed Central

Bravo, Ignacio; Baliñas, Javier; Gardel, Alfredo; Lázaro, José L.; Espinosa, Felipe; García, Jorge

2011-01-01

This article describes an image processing system based on an intelligent ad-hoc camera, whose two principle elements are a high speed 1.2 megapixel Complementary Metal Oxide Semiconductor (CMOS) sensor and a Field Programmable Gate Array (FPGA). The latter is used to control the various sensor parameter configurations and, where desired, to receive and process the images captured by the CMOS sensor. The flexibility and versatility offered by the new FPGA families makes it possible to incorporate microprocessors into these reconfigurable devices, and these are normally used for highly sequential tasks unsuitable for parallelization in hardware. For the present study, we used a Xilinx XC4VFX12 FPGA, which contains an internal Power PC (PPC) microprocessor. In turn, this contains a standalone system which manages the FPGA image processing hardware and endows the system with multiple software options for processing the images captured by the CMOS sensor. The system also incorporates an Ethernet channel for sending processed and unprocessed images from the FPGA to a remote node. Consequently, it is possible to visualize and configure system operation and captured and/or processed images remotely. PMID:22163739

A multi-platform evaluation of the randomized CX low-rank matrix factorization in Spark

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gittens, Alex; Kottalam, Jey; Yang, Jiyan

We investigate the performance and scalability of the randomized CX low-rank matrix factorization and demonstrate its applicability through the analysis of a 1TB mass spectrometry imaging (MSI) dataset, using Apache Spark on an Amazon EC2 cluster, a Cray XC40 system, and an experimental Cray cluster. We implemented this factorization both as a parallelized C implementation with hand-tuned optimizations and in Scala using the Apache Spark high-level cluster computing framework. We obtained consistent performance across the three platforms: using Spark we were able to process the 1TB size dataset in under 30 minutes with 960 cores on all systems, with themore » fastest times obtained on the experimental Cray cluster. In comparison, the C implementation was 21X faster on the Amazon EC2 system, due to careful cache optimizations, bandwidth-friendly access of matrices and vector computation using SIMD units. We report these results and their implications on the hardware and software issues arising in supporting data-centric workloads in parallel and distributed environments.« less

Prickle1 regulates neurite outgrowth of apical spiral ganglion neurons but not hair cell polarity in the murine cochlea

PubMed Central

Kersigo, Jennifer; Wu, Shu; Fritzsch, Bernd; Bassuk, Alexander G.

2017-01-01

In the mammalian organ of Corti (OC), the stereocilia on the apical surface of hair cells (HCs) are uniformly organized in a neural to abneural axis (or medial-laterally). This organization is regulated by planar cell polarity (PCP) signaling. Mutations of PCP genes, such as Vangl2, Dvl1/2, Celsr1, and Fzd3/6, affect the formation of HC orientation to varying degrees. Prickle1 is a PCP signaling gene that belongs to the prickle / espinas / testin family. Prickle1 protein is shown to be asymmetrically localized in the HCs of the OC, and this asymmetric localization is associated with loss of PCP in Smurf mutants, implying that Prickle1 is involved in HC PCP development in the OC. A follow-up study found no PCP polarity defects after loss of Prickle1 (Prickle1-/-) in the cochlea. We show here strong Prickle1 mRNA expression in the spiral ganglion by in situ hybridization and β-Gal staining, and weak expression in the OC by β-Gal staining. Consistent with this limited expression in the OC, cochlear HC PCP is unaffected in either Prickle1C251X/C251X mice or Prickle1f/f; Pax2-cre conditional null mice. Meanwhile, type II afferents of apical spiral ganglion neurons (SGN) innervating outer hair cells (OHC) have unusual neurite growth. In addition, afferents from the apex show unusual collaterals in the cochlear nuclei that overlap with basal turn afferents. Our findings argue against the role of Prickle1 in regulating hair cell polarity in the cochlea. Instead, Prickle1 regulates the polarity-related growth of distal and central processes of apical SGNs. PMID:28837644

Effects of Phase Difference Between Axial and Contact loads on Fretting Fatigue Behavior of Titanium Alloy.

DTIC Science & Technology

2006-09-01

orientation for test # 3 (out of phase) ............................... 106 Figure 5.29. Stress distribution of axial stress for test # 2 and test # 3...p(x) = - )( ))(( )(’)( xC x dh A x a a ω ζζω ζζ π ω + −∫− (2.9) where h...equation 2.9, can be found to be: * dh k x dx

78 FR 27863 - Fisheries of the Exclusive Economic Zone Off Alaska; Big Skate in the Central Regulatory Area of...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-13

.... 120918468-3111-02] RIN 0648-XC673 Fisheries of the Exclusive Economic Zone Off Alaska; Big Skate in the... prohibiting retention of big skate in the Central Regulatory Area of the Gulf of Alaska (GOA). This action is necessary because the 2013 total allowable catch of big skate in the Central Regulatory Area of the GOA has...

77 FR 75399 - Fisheries of the Exclusive Economic Zone Off Alaska; Big Skate in the Central Regulatory Area of...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-12-20

.... 111207737-2141-02] RIN 0648-XC405 Fisheries of the Exclusive Economic Zone Off Alaska; Big Skate in the... prohibiting retention of big skate in the Central Regulatory Area of the Gulf of Alaska (GOA). This action is necessary because the 2012 total allowable catch of big skate in the Central Regulatory Area of the GOA has...

Chemical Production of Excited NF.

DTIC Science & Technology

1982-07-01

purpose other than in connection with a definitely Government -related procure - ment, the United States Government incurs no responsibility or any...AD- AIIB 017 ROCKWELL INTERNATIONAL THOUSAND OAKS CA SCIENCE CENTER F/S -7/NF CHEMICAL PRODUC TION OF E XC ITED NF( U ) JUL 82 R D COOMBE , fl PATEL...Captain Ernest Kunstadt (ARAP) was the Laboratory Project Officer-in-Charge. When Government drawings, specifications, or other data are used for any

Capacity fade in high energy silicon-graphite electrodes for lithium-ion batteries

DOE PAGES

Dose, W. M.; Piernas-Munoz, M. J.; Maroni, V. A.; ...

2018-02-09

A silicon-graphite blended anode is paired with a high capacity LiFePO 4 reference/counter electrode to track irreversibility and lithium inventory. The LiFePO 4 electrode provides a reliable, flat potential for dQ dV -1 analysis of Li xSi and Li xC electrochemical reactions. We can relate this electrochemistry to the morphological and physical changes taking place.

Calibration of the ART-XC/SRG X-ray Mirror Modules

NASA Technical Reports Server (NTRS)

Gubarev, M.; Ramsey, B.; Zavlin, V.; Swartz, D.; Kolodziejczak, J.; Elsner, R.; Pavlinsky, M.; Tkachenko, A.; Lapshov, I.

2014-01-01

Seven x-ray mirror modules are being fabricated at the Marshall Space Flight Center (MSFC) for the Astronomical Roentgen Telescope (ART) instrument to be launched on board of the Spektrum Roentgen Gamma (SRG) Mission. As they are completed, the modules are tested and calibrated at the MSFC's 104-m Stray Flight Facility. The results of these calibration measurements and comparisons with theoretical models will be presented.

Capacity fade in high energy silicon-graphite electrodes for lithium-ion batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dose, W. M.; Piernas-Munoz, M. J.; Maroni, V. A.

A silicon-graphite blended anode is paired with a high capacity LiFePO 4 reference/counter electrode to track irreversibility and lithium inventory. The LiFePO 4 electrode provides a reliable, flat potential for dQ dV -1 analysis of Li xSi and Li xC electrochemical reactions. We can relate this electrochemistry to the morphological and physical changes taking place.

Measured Boundary Layer Transition and Rotor Hover Performance at Model Scale

NASA Technical Reports Server (NTRS)

Overmeyer, Austin D.; Martin, Preston B.

2017-01-01

An experiment involving a Mach-scaled, 11:08 f t: diameter rotor was performed in hover during the summer of 2016 at NASA Langley Research Center. The experiment investigated the hover performance as a function of the laminar to turbulent transition state of the boundary layer, including both natural and fixed transition cases. The boundary layer transition locations were measured on both the upper and lower aerodynamic surfaces simultaneously. The measurements were enabled by recent advances in infrared sensor sensitivity and stability. The infrared thermography measurement technique was enhanced by a paintable blade surface heater, as well as a new high-sensitivity long wave infrared camera. The measured transition locations showed extensive amounts, x=c>0:90, of laminar flow on the lower surface at moderate to high thrust (CT=s > 0:068) for the full blade radius. The upper surface showed large amounts, x=c > 0:50, of laminar flow at the blade tip for low thrust (CT=s < 0:045). The objective of this paper is to provide an experimental data set for comparisons to newly developed and implemented rotor boundary layer transition models in CFD and rotor design tools. The data is expected to be used as part of the AIAA Rotorcraft SimulationWorking Group

Quantum percolation phase transition and magnetoelectric dipole glass in hexagonal ferrites

NASA Astrophysics Data System (ADS)

Rowley, S. E.; Vojta, T.; Jones, A. T.; Guo, W.; Oliveira, J.; Morrison, F. D.; Lindfield, N.; Baggio Saitovitch, E.; Watts, B. E.; Scott, J. F.

2017-07-01

Hexagonal ferrites not only have enormous commercial impact (£2 billion/year in sales) due to applications that include ultrahigh-density memories, credit-card stripes, magnetic bar codes, small motors, and low-loss microwave devices, they also have fascinating magnetic and ferroelectric quantum properties at low temperatures. Here we report the results of tuning the magnetic ordering temperature in PbF e12 -xG axO19 to zero by chemical substitution x . The phase transition boundary is found to vary as TN˜(1-x /xc ) 2 /3 with xc very close to the calculated spin percolation threshold, which we determine by Monte Carlo simulations, indicating that the zero-temperature phase transition is geometrically driven. We find that this produces a form of compositionally tuned, insulating, ferrimagnetic quantum criticality. Close to the zero-temperature phase transition, we observe the emergence of an electric dipole glass induced by magnetoelectric coupling. The strong frequency behavior of the glass freezing temperature Tm has a Vogel-Fulcher dependence with Tm finite, or suppressed below zero in the zero-frequency limit, depending on composition x . These quantum-mechanical properties, along with the multiplicity of low-lying modes near the zero-temperature phase transition, are likely to greatly extend applications of hexaferrites into the realm of quantum and cryogenic technologies.

New insights into the electronic and optical properties of the Bi4M3O12 (M = Si or Ge) scintillators

NASA Astrophysics Data System (ADS)

Sousa, O. M.; Lima, A. F.; Lalic, M. V.

2017-11-01

Electronic and optical properties of the Bi4Ge3O12 (BGO) and Bi4Si3O12 (BSO) compounds with eulytine structure have been revisited in terms of the first-principles calculations on density functional theory (DFT) level. Exchange and correlation (XC) effects have been described by Tran-Blaha modified Becke-Johnson (TB-mBJ) potential in its semiconductor variance form. The calculated band gaps agree very well with experimental data obtained from direct reflectivity measurements and disagree with data obtained on the base of ellipsometry technique. The calculated reflectivity spectra also agree very well with low-temperature experimental data. These facts prove that present approach is more successful than previous DFT approaches which failed to describe correctly either one or both of these properties. On the basis of this observation, it was concluded that: (1) DFT calculations with TB-mBJ XC potential correctly describe the BGO and BSO electronic structures, whose principal features are demonstrated; (2) the BGO and BSO band gaps should be around 5.0 and 5.4 eV respectively and their experimental optical absorption edges should be masked by exciton effects, in agreement with the conclusions from reflectivity measurements.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Castaño-González, E.-E.; Seña, N.; Mendoza-Estrada, V.

In this paper, we carried out first-principles calculations in order to investigate the structural and electronic properties of the binary compound gallium antimonide (GaSb). This theoretical study was carried out using the Density Functional Theory within the plane-wave pseudopotential method. The effects of exchange and correlation (XC) were treated using the functional Local Density Approximation (LDA), generalized gradient approximation (GGA): Perdew–Burke–Ernzerhof (PBE), Perdew-Burke-Ernzerhof revised for solids (PBEsol), Perdew-Wang91 (PW91), revised Perdew–Burke–Ernzerhof (rPBE), Armiento–Mattson 2005 (AM05) and meta-generalized gradient approximation (meta-GGA): Tao–Perdew–Staroverov–Scuseria (TPSS) and revised Tao–Perdew–Staroverov–Scuseria (RTPSS) and modified Becke-Johnson (MBJ). We calculated the densities of state (DOS) and band structuremore » with different XC potentials identified and compared them with the theoretical and experimental results reported in the literature. It was discovered that functional: LDA, PBEsol, AM05 and RTPSS provide the best results to calculate the lattice parameters (a) and bulk modulus (B{sub 0}); while for the cohesive energy (E{sub coh}), functional: AM05, RTPSS and PW91 are closer to the values obtained experimentally. The MBJ, Rtpss and AM05 values found for the band gap energy is slightly underestimated with those values reported experimentally.« less

Effect of mixed Ge/Si cross-linking on the physical properties of amorphous Ge-Si-Te networks

NASA Astrophysics Data System (ADS)

Gunasekera, K.; Boolchand, P.; Micoulaut, M.

2014-04-01

Amorphous GexSixTe1-2x glasses are studied as a function of composition by a combination of experimental and theoretical methods, allowing for a full description of the network structure in relationship with physico-chemical properties. Calorimetric and thermal measurements reveal that such glasses display an anomalous behavior across a range of compositions xc1=7.5% and

Reduction of Wake-Stator Interaction Noise Using Passive Porosity

NASA Technical Reports Server (NTRS)

Tinetti, Ana F.; Kelly, Jeffrey J.; Thomas, Russell H.; Bauer, Steven X. S.

2002-01-01

The present study was conducted to assess the potential of Passive Porosity Technology as a mechanism to reduce interaction noise in turbomachinery by reducing the fluctuating forces acting on the vane surfaces. To do so, a typical fan stator airfoil was subjected to the effects of a transversely moving wake; time histories of the primitive aerodynamic variables, obtained from Computational Fluid Dynamics (CFD) solutions, were then input into an acoustic prediction code. This procedure was performed on the solid airfoil to obtain a baseline, and on a series of porous configurations in order to isolate those that yield maximum noise reductions without compromising the aerodynamic performance of the stator. It was found that communication between regions of high pressure differential - made possible by the use of passive porosity - is necessary to significantly alter the noise radiation pattern of the stator airfoil. In general, noise reductions were obtained for those configurations incorporating passive porosity in the region between x/c is approximately 0.15 on the suction side of the airfoil and x/c is approximately 0.20 on the pressure side. Reductions in overall radiated noise of approximately 1.0 dB were obtained. The noise benefit increased to about 2.5 dB when the effects of loading noise alone were considered.

Cathode catalysts for primary phosphoric acid fuel cells

NASA Technical Reports Server (NTRS)

1981-01-01

Alkylation or carbon Vulcan XC-72, the support carbon, was shown to provide the most stable bond type for linking cobalt dehydrodibenzo tetraazannulene (CoTAA) to the surface of the carbon; this result is based on data obtained by cyclic voltammetry, pulse voltammetry and by release of 14C from bonded CoTAA. Half-cell tests at 100 C in 85% phosphoric acid showed that CoTAA bonded to the surface of carbon (Vulcan XC-72) via an alkylation procedure is a more active catalyst than is platinum based on a factor of two improvement in Tafel slope; dimeric CoTAA had catalytic activity equal to platinum. Half-cell tests also showed that bonded CoTAA catalysts do not suffer a loss in potential when air is used as a fuel rather than oxygen. Commercially available polytetrafluroethylene (PTFE) was shown to be unstable in the fuel cell environment with degradation occurring in 2000 hours or less. The PTFE was stressed at 200 C in concentrated phosphoric acid as well as electrochemically stressed in 150 C concentrated phosphoric acid; the surface chemistry of PTFE was observed to change significantly. Radiolabeled PTFE was prepared and used to verify that such chemical changes also occur in the primary fuel cell environment.

IR and NMR spectroscopic correlation of enterobactin by DFT.

PubMed

Moreno, M; Zacarias, A; Porzel, A; Velasquez, L; Gonzalez, G; Alegría-Arcos, M; Gonzalez-Nilo, F; Gross, E K U

2018-06-05

Emerging and re-emerging epidemic diseases pose an ongoing threat to global health. Currently, Enterobactin and Enterobactin derivatives have gained interest, owing to their potential application in the pharmaceutical field. As it is known [J. Am. Chem. Soc (1979) 101, 20, 6097-6104], Enterobactin (H 6 EB) is an efficient iron carrier synthesized and secreted by many microbial species. In order to facilitate the elucidation of enterobactin and its analogues, here we propose the creation of a H 6 EB standard set using Density Functional Theory Infrared (IR) and NMR spectra. We used two exchange-correlation (xc) functionals (PBE including long-range corrections LC-PBE and mPW1), 2 basis sets (QZVP and 6-31G(d)) and 2 grids (fine and ultrafine) for most of the H 6 EB structures dependent of dihedral angles. The results show a significant difference between the OH and NH bands, while the CO amide and O(CO) IR bands are often found on top of each other. The NMR DFT calculations show a strong dependence on the xc functional, basis set, and grid used for the H 6 EB structure. Calculated 1 H and 13 C NMR spectra enable the effect of the solvent to be understood in the context of the experimental measurements. The good agreement between the experimental and the calculated spectra using LC-PBE/QZVP and ultrafine grid suggest the possibility of the systems reported here to be considered as a standard set. The dependence of electrostatic potential and frontier orbitals with the catecholamide dihedral angles of H 6 EB is described. The matrix-assisted laser desorption/ionization time of the flight mass spectrometry (MALDI-TOF MS) of H 6 EB is also reported of manner to enrich the knowledge about its reactivity. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.

Modeling the stress dependence of Barkhausen phenomena for stress axis linear and noncollinear with applied magnetic field (abstract)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sablik, M.J.; Augustyniak, B.; Chmielewski, M.

1996-04-01

The almost linear dependence of the maximum Barkhausen noise signal amplitude on stress has made it a tool for nondestructive evaluation of residual stress. Recently, a model has been developed to account for the stress dependence of the Barkhausen noise signal. The model uses the development of Alessandro {ital et} {ital al}. who use coupled Langevin equations to derive an expression for the Barkhausen noise power spectrum. The model joins this expression to the magnetomechanical hysteresis model of Sablik {ital et} {ital al}., obtaining both a hysteretic and stress-dependent result for the magnetic-field-dependent Barkhausen noise envelope and obtaining specifically themore » almost linear stress dependence of the Barkhausen noise maximum experimentally. In this paper, we extend the model to derive the angular dependence observed by Kwun of the Barkhausen noise amplitude when stress axis is taken at different angles relative to magnetic field. We also apply the model to the experimental observation that in XC10 French steel, there is an apparent almost linear correlation with stress of hysteresis loss and of the integral of the Barkhausen noise signal over applied field {ital H}. Further, the two quantities, Barkhausen noise integral and hysteresis loss, are linearly correlated with each other. The model shows how that behavior is to be expected for the measured steel because of its sharply rising hysteresis curve. {copyright} {ital 1996 American Institute of Physics.}« less

Proton behaviour, structure and elasticity of serpentine at high-pressure

NASA Astrophysics Data System (ADS)

Mookherjee, Mainak; Stixrude, Lars

2007-03-01

Serpentine occurs in oceanic crust as the alteration product of ultramafic rocks and is a possible candidate for carrying water to the deep earth. The presence of sub-surface serpentine may be manifested by mud volcanoes, high electrical conductivities, and seismic anomalies. Using density functional theory, we predict a phase transition in serpentine near 22 GPa. The phase transition is caused by a re-orientation of the hydroxyl vector coupled with changes in the di-trigonal rings of SiO4 tetrahedra. The symmetry of the crystal-structure remains unaffected. Evidence of pressure-induced hydrogen bonding is absent in serpentine, as evident from the reduction of O-H bond length upon compression. Results of compression for the low-pressure phase is well represented by a fourth order Birch-Murnaghan finite strain expression with KO= 63 GPa, K'O= 10.2 and KOK''O = -120, where K is the bulk modulus, prime indicates pressure derivatives, and O refers to zero pressure. At low pressures, the elastic constant tensor is highly anisotropic with C11^o ˜2.4xC33^o , and becomes more isotropic with compression. We find an elastic instability near 36 GPa that may be related to experimentally observed amorphization.

Repeated-Dose and Reproductive/Developmental Toxicity of NTO (3-Nitro-1,2,4-Triazol-5-One) in the Rat

DTIC Science & Technology

2014-03-21

caused by a parasitic problem or contact dermatitis , the lacerations resolved with topical treatment prior to the skin scrape being performed. Several...14 8 Discussion 16 9 Conclusions 18 10 Point of Contact 19 Appendices A References...postpartum did not indicate that NTO presents a developmental hazard. 18 Toxicology Study No. 85-XC-OFP4-12, April-July 2012 10 Point of Contact

A Cultural Resources Inventory of Eastern Portions of Lake Sakakawea, North Dakota (Mercer and McLean Counties).

DTIC Science & Technology

1982-09-15

34esources Inventory of Eastern Portions of Lake Sakakawee, North Dakota (Mercer and McLean August - September 1982 Counties ) 6. PERFORMING ORG. REPORT...of Lake Sakakawea (Mercer and McLean Counties ), North Dakota, Identif ied 56 sites. The site types include: stone circles (36), stone cairn (1), linear...9 A CULTURAL RESOURCES INVENTORY OF EASTERN PORTIONS OF LAUE SAKAKAWRA, NORTH DAKOTA (MERCER AND XcLEAN COUNTIES

A Theoretical Development of a Multicarrier Wireless Relay System and a Practical Exploration of Full-Duplex Radio Communication

DTIC Science & Technology

2014-06-01

analyzed the performance of full-duplex MIMO OFDM transceivers under non-ideal ADCs. In [62], impact of thermal noise on full-duplex radio was...h12 ∗ h23 − h22 ∗ h13 h12 ∗ h24 − h22 ∗ h14 h21 ∗ h13 − h11 ∗ h23 h21 ∗ h14 − h11 ∗ h24 h22 ∗ h11 − h12 ∗ h21 0 0 h22 ∗ h11 − h12 ∗ h21...with complex model for fullduplex can be de- scribed as the following equation: xc =  xar xai xbr xbi  =  h13

Thermodynamic Analysis and Optimization Based on Exergy Flow for a Two-Staged Pulse Tube Refrigerator

DTIC Science & Technology

2010-01-01

X.C. Xuan, Cryogenics, 43, pp. 117-124 (2003). 11. J. Chen, X. Chen, and C. Wu, Exergy , an International Journal , 1, pp. 100-106 (2001). 12. C.S...THERMODYNAMIC ANALYSIS AND OPTIMIZATION BASED ON EXERGY FLOW FOR A TWOSTAGED PULSE TUBE REFRIGERATOR A. Razani, T. Fraser, C. Dodson, and T. Roberts...2012) Additional information on AIP Conf. Proc. Journal Homepage: http://proceedings.aip.org/ Journal Information: http://proceedings.aip.org

Extraordinary Electromagnetic Waves in Weakly Relativistic Degenerate Spin-1/2 Magnetized Quantum Plasmas

NASA Astrophysics Data System (ADS)

Li, Chun-Hua; Wang, Shao-Wei; Liu, Yun-Hao; Xia, Zhen-Wei; Zhang, Xiao-Hui; Zou, Dan-Dan

2018-04-01

Not Available Supported by the National Natural Science Foundation of China under Grant Nos 11705043, 11547137 and 11605036, the Innovation Training Project for College Students in Anhui Province under Grant No 2017CXCYS222, the Doctoral Production & Learning & Research Special Fund of Hefei University of Technology under Grant No XC2015JZBZ25, and the Natural Science Foundation of Jiangxi Province under Grant Nos 20161BAB206156 and 20171BAB206044.

Three-Dimensional Eutrophication Model of Chesapeake Bay. Volume 1: Main Report.

DTIC Science & Technology

1994-05-01

c.d.g (4-68) - Krpon RPON - WSr 5 RPON Nitrate NO 3 = [ (PNx - 1)PxANCxBx x=c, d ,g (4-69) + NT - ANDC Denit DOC Silica The model incorporates two siliceous...Dimensional Eutrophication Model of Chesapeake Bay Volume I: Main Report D TIC by Carl F. Cerco, Thomas M. Cole ELECTE• JUN 2 810,94U Approved For...Approach ................................... 15-13 Comparison of Analytical and Empirical Results ............... 15-19 D iscussion