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Sample records for rita kohn describes

  1. Kohn anomaly in graphene

    International Nuclear Information System (INIS)

    Milosevic, I.; Kepcija, N.; Dobardzic, E.; Damnjanovic, M.; Mohr, M.; Maultzsch, J.; Thomsen, C.

    2011-01-01

    Symmetry based analysis of the Kohn anomaly is performed. Kohn phonon frequencies and displacements are calculated by force constant method. It is shown that Kohn phonon vibrations cause electronic band gap opening.

  2. 27 CFR 9.162 - Sta. Rita Hills.

    Science.gov (United States)

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Sta. Rita Hills. 9.162.... Rita Hills. (a) Name. The name of the viticultural area described in this section is “Sta. Rita Hills”. For purposes of part 4 of this chapter, “Sta. Rita Hills” is a term of viticultural significance. (b...

  3. Hum Kohn Hai

    Indian Academy of Sciences (India)

    learnt that in memory of Jewish victims of the Holocaust, Kohn had helped organize a music concert by the Austrian composer Viktor Ullmann, who was killed in the gas chambers at the. Auschwitz–Birkenau concentration camp; Ullmann had been imprisoned at Theresienstadt at the same time as Kohn's parents.

  4. Competition: Was Kohn Right?

    Science.gov (United States)

    Shields, David Light; Bredemeier, Brenda Light

    2010-01-01

    Alfie Kohn made the case for competition being destructive to education. The truth may be that there are two separate ways to contest: true competition, which is a healthy desire to excel, and decompetition, which is the unhealthy desire merely to beat the opponent. Decompetition leads to the ills that Kohn enumerated. Educators should teach their…

  5. Ang Rita 1

    OpenAIRE

    Loomis, Molly

    2012-01-01

    .wav and .mp3 versions of audio file Ang Rita describes in Sherpa difference aspects of his life as a yak herder and yak herding culture. Tape includes native names for yak, birth and death ceremonies; castration practices; differences between Sherpa and Tibetan customs regarding yaks; herding yaks as a child; herding calls; interactions with wolves; grazing practices; concerns about decline of yak herding and the environmental consequences; the future of yak herding; famous yak herders; t...

  6. Equivalence of the generalized and complex Kohn variational methods

    Energy Technology Data Exchange (ETDEWEB)

    Cooper, J N; Armour, E A G [School of Mathematical Sciences, University Park, Nottingham NG7 2RD (United Kingdom); Plummer, M, E-mail: pmxjnc@googlemail.co [STFC Daresbury Laboratory, Daresbury, Warrington, Cheshire WA4 4AD (United Kingdom)

    2010-04-30

    For Kohn variational calculations on low energy (e{sup +} - H{sub 2}) elastic scattering, we prove that the phase shift approximation, obtained using the complex Kohn method, is precisely equal to a value which can be obtained immediately via the real-generalized Kohn method. Our treatment is sufficiently general to be applied directly to arbitrary potential scattering or single open channel scattering problems, with exchange if required. In the course of our analysis, we develop a framework formally to describe the anomalous behaviour of our generalized Kohn calculations in the regions of the well-known Schwartz singularities. This framework also explains the mathematical origin of the anomaly-free singularities we reported in a previous article. Moreover, we demonstrate a novelty: that explicit solutions of the Kohn equations are not required in order to calculate optimal phase shift approximations. We relate our rigorous framework to earlier descriptions of the Kohn-type methods.

  7. Equivalence of the generalized and complex Kohn variational methods

    International Nuclear Information System (INIS)

    Cooper, J N; Armour, E A G; Plummer, M

    2010-01-01

    For Kohn variational calculations on low energy (e + - H 2 ) elastic scattering, we prove that the phase shift approximation, obtained using the complex Kohn method, is precisely equal to a value which can be obtained immediately via the real-generalized Kohn method. Our treatment is sufficiently general to be applied directly to arbitrary potential scattering or single open channel scattering problems, with exchange if required. In the course of our analysis, we develop a framework formally to describe the anomalous behaviour of our generalized Kohn calculations in the regions of the well-known Schwartz singularities. This framework also explains the mathematical origin of the anomaly-free singularities we reported in a previous article. Moreover, we demonstrate a novelty: that explicit solutions of the Kohn equations are not required in order to calculate optimal phase shift approximations. We relate our rigorous framework to earlier descriptions of the Kohn-type methods.

  8. Kohn anomalies in superconductors

    International Nuclear Information System (INIS)

    Flatte, M.E.

    1994-01-01

    The detailed behavior of phonon dispersion curves near momenta which span the electronic Fermi sea in a superconductor is presented. An anomaly, similar to the metallic Kohn anomaly, exists in a superconductor's dispersion curves when the frequency of the photon spanning the Fermi sea exceeds twice the superconducting energy gap. This anomaly occurs at approximately the same momentum but is stronger than the normal-state Kohn anomaly. It also survives at finite temperature, unlike the metallic anomaly. Determination of Fermi-surface diameters from the location of these anomalies, therefore, may be more successful in the superconducting phase than in the normal state. However, the superconductor's anomaly fades rapidly with increased phonon frequency and becomes unobservable when the phonon frequency greatly exceeds the gap. This constraint makes these anomalies useful only in high-temperature superconductors such as La 1.85 Sr 0.15 CuO 4

  9. Til lykke eller Rita

    DEFF Research Database (Denmark)

    Agger, Gunhild

    2012-01-01

    Med Rita og Lykke har den satiriske sædekomedie fået en renæssance. Sædekomedien lever af at udstille normbrud og satirisere over menneskenes omgangsformer og kommunikation eller mangel på samme. Det er netop det, der sker i Rita og Lykke, hvor det outrerede eksponeres for at latterliggøres....

  10. Added flexibility in triple axis spectrometers: The two RITAs at Risø

    DEFF Research Database (Denmark)

    Lefmann, K.; McMorrow, D.F.; Rønnow, H.M.

    2000-01-01

    The cold-neutron triple-axis spectrometer RITA-I at Rise has been operational for about three years, and in the near future an improved version, RITA-2 will replace the existing triple-axis instrument TAS7. We review the performance of RITA-1 and the operation modes of its flexible secondary...... spectrometer, giving examples of a few key experiments, and describe the software developed for running it. Further, the design of the new RITA-2 instrument is presented. The two RITA spectrometers are compared with their sister instrument SPINS at NIST and with similar instruments planned elsewhere. (C) 2000...

  11. Meet Alfie Kohn. Part Two.

    Science.gov (United States)

    Swan, Deborah

    1997-01-01

    An interview with educator-author Alfie Kohn discusses student motivation and the need to move away from giving rewards, praise as a form of control, the importance of genuine encouragement that fosters intrinsic motivation and lifelong learning, and the role of mentors in supporting teachers who seek to change or improve traditional teaching…

  12. A Kohn-Sham system at zero temperature

    International Nuclear Information System (INIS)

    Cornean, H; Hoke, K; Neidhardt, H; Racec, P N; Rehberg, J

    2008-01-01

    A one-dimensional Kohn-Sham system for spin particles is considered which effectively describes semiconductor nanostructures, and which is investigated at zero temperature. We prove the existence of solutions and derive a priori estimates. For this purpose we find estimates for eigenvalues of the Schroedinger operator with effective Kohn-Sham potential and obtain W 1,2 -bounds of the associated particle density operator. Afterwards, compactness and continuity results allow us to apply Schauder's fixed point theorem. In the case of vanishing exchange-correlation potential uniqueness is shown by monotonicity arguments. Finally, we investigate the behavior of the system if the temperature approaches zero

  13. A Kohn-Sham system at zero temperature

    DEFF Research Database (Denmark)

    Cornean, Horia; Hoke, K.; Neidhardt, H.

    2008-01-01

    A one-dimensional Kohn-Sham system for spin particles is considered which effectively describes semiconductor nanostructures, and which is investigated at zero temperature. We prove the existence of solutions and derive a priori estimates. For this purpose we find estimates for eigenvalues...... by monotonicity arguments. Finally, we investigate the behavior of the system if the temperature approaches zero....

  14. Rita Bottoms: Polyartist Librarian

    OpenAIRE

    Bottoms, Rita; Reti, Irene; Regional History Project, UCSC Library

    2005-01-01

    Project Director Irene Reti conducted fourteen hours of interviews with Rita Bottoms, Head of Special Collections at the University Library, UC Santa Cruz, shortly before her retirement in March 2003. This oral history provides a vivid and intimate look at thirty-seven years behind the scenes in the library's Special Collections. For thirty-seven years Bottoms dedicated herself to collecting work by some of the most eminent writers and photographers of the twentieth century, includin...

  15. Interview: Rita Colwell

    OpenAIRE

    Alucozai, Milad

    2012-01-01

    Dr. Rita Colwell is a renowned microbiologist and infectious disease expert as well as a Purdue Alumna. She served as the 11th director of the National Science Foundation (NSF) from 1998 to 2004. Currently, she serves as the President and CEO of CosmosID and is a Distinguished Professor at both the University of Maryland and Johns Hopkins University School of Public Health.

  16. Kohn-Luttinger effect in gauge theories

    International Nuclear Information System (INIS)

    Schaefer, T.

    2006-01-01

    Kohn and Luttinger showed that a many body system of fermions interacting via short range forces becomes superfluid even if the interaction is repulsive in all partial waves. In gauge theories such as QCD the interaction between fermions is long range and the assumptions of Kohn and Luttinger are not satisfied. We show that in a U(1) gauge theory the Kohn-Luttinger phenomenon does not take place. In QCD attractive channels always exist, but there are cases in which the primary pairing channel leaves some fermions ungapped. As an example we consider the unpaired fermion in the 2SC phase of QCD with two flavors. We show that it acquires a very small gap via a mechanism analogous to the Kohn-Luttinger effect. The gap is too small to be phenomenologically relevant

  17. Hurricane Rita Poster (September 22, 2005)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Hurricane Rita poster. Multi-spectral image from NOAA-16 shows Hurricane Rita as a category-4 hurricane in the Gulf of Mexico on September 22, 2005. Poster size is...

  18. Kohn singularity and Kohn anomaly in conventional superconductors—role of pairing mechanism

    International Nuclear Information System (INIS)

    Chaudhury, Ranjan; Das, Mukunda P

    2013-01-01

    We present a theoretical analysis of the Kohn singularity and Kohn anomaly in the superconducting phase of a three-dimensional metallic system. We show that a phonon mechanism-based Cooper pairing in a Fermi liquid metal can lead to these phenomena quite naturally. The results are discussed against the background of some recent experimental findings. (fast track communication)

  19. Sir John and Lady Rita Cornforth: a distinguished chemical partnership.

    Science.gov (United States)

    Purchase, Rupert; Hanson, James R

    2015-01-01

    This review describes the life of Sir John Cornforth AC CBE FRS, who was awarded the Nobel Prize for Chemistry in 1975. It covers his early life in Australia, his work in Oxford, the National Institute for Medical Research, the Milstead Laboratory of Chemical Enzymology and the University of Sussex, together with the contributions made by his wife, Lady Rita Cornforth.

  20. Proteomic profiling of white muscle from freshwater catfish Rita rita.

    Science.gov (United States)

    Mohanty, Bimal Prasanna; Mitra, Tandrima; Banerjee, Sudeshna; Bhattacharjee, Soma; Mahanty, Arabinda; Ganguly, Satabdi; Purohit, Gopal Krishna; Karunakaran, Dhanasekar; Mohanty, Sasmita

    2015-06-01

    Muscle tissues contribute 34-48 % of the total body mass in fish. Proteomic analysis enables better understanding of the skeletal muscle physiology and metabolism. A proteome map reflects the general fingerprinting of the fish species and has the potential to identify novel proteins which could serve as biomarkers for many aspects of aquaculture including fish physiology and growth, flesh quality, food safety and aquatic environmental monitoring. The freshwater catfish Rita rita of the family Bagridae inhabiting the tropical rivers and estuaries is an important food fish with high nutritive value and is also considered a species of choice in riverine pollution monitoring. Omics information that could enhance utility of this species in molecular research is meager. Therefore, in the present study, proteomic analysis of Rita rita muscle has been carried out and functional genomics data have been generated. A reference muscle proteome has been developed, and 23 protein spots, representing 18 proteins, have been identified by MALDI-TOF/TOF-MS and LC-MS/MS. Besides, transcript information on a battery of heat shock proteins (Hsps) has been generated. The functional genomics information generated could act as the baseline data for further molecular research on this species.

  1. Chk2 mediates RITA-induced apoptosis.

    Science.gov (United States)

    de Lange, J; Verlaan-de Vries, M; Teunisse, A F A S; Jochemsen, A G

    2012-06-01

    Reactivation of the p53 tumor-suppressor protein by small molecules like Nutlin-3 and RITA (reactivation of p53 and induction of tumor cell apoptosis) is a promising strategy for cancer therapy. The molecular mechanisms involved in the responses to RITA remain enigmatic. Several groups reported the induction of a p53-dependent DNA damage response. Furthermore, the existence of a p53-dependent S-phase checkpoint has been suggested, involving the checkpoint kinase Chk1. We have recently shown synergistic induction of apoptosis by RITA in combination with Nutlin-3, and we observed concomitant Chk2 phosphorylation. Therefore, we investigated whether Chk2 contributes to the cellular responses to RITA. Strikingly, the induction of apoptosis seemed entirely Chk2 dependent. Transcriptional activity of p53 in response to RITA required the presence of Chk2. A partial rescue of apoptosis observed in Noxa knockdown cells emphasized the relevance of p53 transcriptional activity for RITA-induced apoptosis. In addition, we observed an early p53- and Chk2-dependent block of DNA replication upon RITA treatment. Replicating cells seemed more prone to entering RITA-induced apoptosis. Furthermore, the RITA-induced DNA damage response, which was not a secondary effect of apoptosis induction, was strongly attenuated in cells lacking p53 or Chk2. In conclusion, we identified Chk2 as an essential mediator of the cellular responses to RITA.

  2. Resolvent kernel for the Kohn Laplacian on Heisenberg groups

    Directory of Open Access Journals (Sweden)

    Neur Eddine Askour

    2002-07-01

    Full Text Available We present a formula that relates the Kohn Laplacian on Heisenberg groups and the magnetic Laplacian. Then we obtain the resolvent kernel for the Kohn Laplacian and find its spectral density. We conclude by obtaining the Green kernel for fractional powers of the Kohn Laplacian.

  3. Single-particle properties from Kohn-Sham Green's functions

    International Nuclear Information System (INIS)

    Bhattacharyya, Anirban; Furnstahl, R.J.

    2005-01-01

    An effective action approach to Kohn-Sham density functional theory is used to illustrate how the exact Green's function can be calculated in terms of the Kohn-Sham Green's function. An example based on Skyrme energy functionals shows that single-particle Kohn-Sham spectra can be improved by adding sources used to construct the energy functional

  4. The Jost-Kohn inversion procedure

    Science.gov (United States)

    Prosser, R. T.

    1972-01-01

    Conditions are considered that must be imposed on a class of quantum mechanical problems to obtain reasonable results by the Jost-Kohn procedure. The discussion is restricted to problems in three space-dimensions without assuming any radial or other symmetry of the potential.

  5. Talks with Teachers: Clyde F. Kohn.

    Science.gov (United States)

    Souza, Anthony R. de

    1984-01-01

    Kohn--a geographer who has taught at all educational levels and is a former president of the National Council for Geographic Education and the American Association of Geographers--talks about his family and schooling, cooperation between professional organizations, his role in the High School Geography Project, and his interest in enology. (RM)

  6. Bloch-Kohn and Wannier-Kohn functions in one dimension

    International Nuclear Information System (INIS)

    Bruno-Alfonso, Alexys; Guo-Qiang, Hai

    2003-01-01

    Bloch and Wannier functions of the Kohn type for a quite general one-dimensional Hamiltonian with inversion symmetry are studied. Important clarifications on null minigaps and the symmetry of those functions are given, with emphasis on the Kronig-Penney model. The lack of a general selection rule on the miniband index for optical transitions between edge states in semiconductor superlattices is discussed. A direct method for the calculation of Wannier-Kohn functions is presented

  7. Reactivating p53 and Inducing Tumor Apoptosis (RITA) Enhances the Response of RITA-Sensitive Colorectal Cancer Cells to Chemotherapeutic Agents 5-Fluorouracil and Oxaliplatin.

    Science.gov (United States)

    Wiegering, Armin; Matthes, Niels; Mühling, Bettina; Koospal, Monika; Quenzer, Anne; Peter, Stephanie; Germer, Christoph-Thomas; Linnebacher, Michael; Otto, Christoph

    2017-04-01

    Colorectal carcinoma (CRC) is the most common cancer of the gastrointestinal tract with frequently dysregulated intracellular signaling pathways, including p53 signaling. The mainstay of chemotherapy treatment of CRC is 5-fluorouracil (5FU) and oxaliplatin. The two anticancer drugs mediate their therapeutic effect via DNA damage-triggered signaling. The small molecule reactivating p53 and inducing tumor apoptosis (RITA) is described as an activator of wild-type and reactivator of mutant p53 function, resulting in elevated levels of p53 protein, cell growth arrest, and cell death. Additionally, it has been shown that RITA can induce DNA damage signaling. It is expected that the therapeutic benefits of 5FU and oxaliplatin can be increased by enhancing DNA damage signaling pathways. Therefore, we highlighted the antiproliferative response of RITA alone and in combination with 5FU or oxaliplatin in human CRC cells. A panel of long-term established CRC cell lines (n=9) including p53 wild-type, p53 mutant, and p53 null and primary patient-derived, low-passage cell lines (n=5) with different p53 protein status were used for this study. A substantial number of CRC cells with pronounced sensitivity to RITA (IC 50 RITA appeared independent of p53 status and was associated with an increase in antiproliferative response to 5FU and oxaliplatin, a transcriptional increase of p53 targets p21 and NOXA, and a decrease in MYC mRNA. The effect of RITA as an inducer of DNA damage was shown by a strong elevation of phosphorylated histone variant H2A.X, which was restricted to RITA-sensitive cells. Our data underline the primary effect of RITA, inducing DNA damage, and demonstrate the differential antiproliferative effect of RITA to CRC cells independent of p53 protein status. We found a substantial number of RITA-sensitive CRC cells within both panels of established CRC cell lines and primary patient-derived CRC cell lines (6/14) that provide a rationale for combining RITA with 5FU or

  8. Reactivating p53 and Inducing Tumor Apoptosis (RITA Enhances the Response of RITA-Sensitive Colorectal Cancer Cells to Chemotherapeutic Agents 5-Fluorouracil and Oxaliplatin

    Directory of Open Access Journals (Sweden)

    Armin Wiegering

    2017-04-01

    Full Text Available Colorectal carcinoma (CRC is the most common cancer of the gastrointestinal tract with frequently dysregulated intracellular signaling pathways, including p53 signaling. The mainstay of chemotherapy treatment of CRC is 5-fluorouracil (5FU and oxaliplatin. The two anticancer drugs mediate their therapeutic effect via DNA damage-triggered signaling. The small molecule reactivating p53 and inducing tumor apoptosis (RITA is described as an activator of wild-type and reactivator of mutant p53 function, resulting in elevated levels of p53 protein, cell growth arrest, and cell death. Additionally, it has been shown that RITA can induce DNA damage signaling. It is expected that the therapeutic benefits of 5FU and oxaliplatin can be increased by enhancing DNA damage signaling pathways. Therefore, we highlighted the antiproliferative response of RITA alone and in combination with 5FU or oxaliplatin in human CRC cells. A panel of long-term established CRC cell lines (n = 9 including p53 wild-type, p53 mutant, and p53 null and primary patient-derived, low-passage cell lines (n = 5 with different p53 protein status were used for this study. A substantial number of CRC cells with pronounced sensitivity to RITA (IC50< 3.0 μmol/l were identified within established (4/9 and primary patient-derived (2/5 CRC cell lines harboring wild-type or mutant p53 protein. Sensitivity to RITA appeared independent of p53 status and was associated with an increase in antiproliferative response to 5FU and oxaliplatin, a transcriptional increase of p53 targets p21 and NOXA, and a decrease in MYC mRNA. The effect of RITA as an inducer of DNA damage was shown by a strong elevation of phosphorylated histone variant H2A.X, which was restricted to RITA-sensitive cells. Our data underline the primary effect of RITA, inducing DNA damage, and demonstrate the differential antiproliferative effect of RITA to CRC cells independent of p53 protein status. We found a substantial number

  9. Joachim kohn (1912-1987) and the origin of cellulose acetate electrophoresis.

    Science.gov (United States)

    Rocco, Richard M

    2005-10-01

    The year 2006 marks the 50th anniversary of the discovery of cellulose acetate (CA) electrophoresis by Joachim Kohn, a pathologist at Queen Mary's Hospital in Roehampton, London. During a career in pathology that began in 1950 and spanned 37 years, Kohn published more than 50 papers in clinical laboratory medicine. He was the first to report the use of CA microbiology filters as solid supports for zone electrophoresis and the separation of hemoglobin phenotypes on CA membranes. Kohn also invented a new electrophoresis chamber and an 8-position stamp applicator especially for use with CA membranes. Beginning in 1957, Kohn pioneered the development of CA techniques for immunoelectrophoresis, counter immunoelectrophoresis, radial immunodiffusion, protein blotting, and immunofixation. He also designed a transport dressing for burn patients and was the first person to describe the use of an enzyme-based dipstick for measuring fingerstick blood glucose concentrations. This short review highlights Kohn's discovery of CA electrophoresis and his contributions to the development of this procedure.

  10. Restricted open-shell Kohn-Sham theory: N unpaired electrons

    International Nuclear Information System (INIS)

    Schulte, Marius; Frank, Irmgard

    2010-01-01

    Graphical abstract: High-spin or low-spin? The lowest-lying states for different multiplicities of iron complexes are described with a combination of restricted open-shell Kohn-Sham theory and Car-Parrinello molecular dynamics. - Abstract: We present an energy expression for restricted open-shell Kohn-Sham theory for N unpaired electrons. It is shown that it is possible to derive an explicit energy expression for all low-spin multiplets of systems that exhibit neither radial nor cylindrical symmetry. The approach was implemented in the CPMD code and tested for iron complexes.

  11. Kohn anomaly in phonon driven superconductors

    International Nuclear Information System (INIS)

    Das, M P; Chaudhury, R

    2014-01-01

    Anomalies often occur in the physical world. Sometimes quite unexpectedly anomalies may give rise to new insight to an unrecognized phenomenon. In this paper we shall discuss about Kohn anomaly in a conventional phonon-driven superconductor by using a microscopic approach. Recently Aynajian et al.'s experiment showed a striking feature; the energy of phonon at a particular wave-vector is almost exactly equal to twice the energy of the superconducting gap. Although the phonon mechanism of superconductivity is well known for many conventional superconductors, as has been noted by Scalapino, the new experimental results reveal a genuine puzzle. In our recent work we have presented a detailed theoretical analysis with the help of microscopic calculations to unravel this mystery. We probe this aspect of phonon behaviour from the properties of electronic polarizability function in the superconducting phase of a Fermi liquid metal, leading to the appearance of a Kohn singularity. We show the crossover to the standard Kohn anomaly of the normal phase for temperatures above the transition temperature. Our analysis provides a nearly complete explanation of this new experimentally discovered phenomenon. This report is a shorter version of our recent work in JPCM.

  12. RITA-type triple axis spectrometers

    International Nuclear Information System (INIS)

    Roennow, H.M.

    2001-01-01

    The RITA spectrometer at Risoe National Laboratory was the first to incorporate a complete re-thinking of the neutron-path from source, through detector to analysis. Since then, other RITA-type spectrometers such as SPINS at NIST, RITA-II at PSI have been built, and several new spectrometers around the world are adapting the same philosophy. The main novelty of RITA was the introduction of a single back-end tank featuring both an analyser block with multiple individually turnable analyser blades and a 2D position sensitive detector. Several new triple-axis spectrometers are presently being built at existing and future sources, and almost all of them have learnt from the experience with RITA. (R.P.)

  13. Complete mitochondrial genome of the Freshwater Catfish Rita rita (Siluriformes, Bagridae).

    Science.gov (United States)

    Lashari, Punhal; Laghari, Muhammad Younis; Xu, Peng; Zhao, Zixia; Jiang, Li; Narejo, Naeem Tariq; Deng, Yulin; Sun, Xiaowen; Zhang, Yan

    2015-01-01

    The complete mitochondrial genome of Catfish, Rita rita, was isolated by LA PCR (TakaRa LAtaq, Dalian, China); and sequenced by Sanger's method to obtain the complete mitochondrial genome, which is listed Critically Endangered and Red Listed species. The complete mitogenome was 16,449 bp in length and contains 13 typical vertebrate protein-coding genes, 2 rRNA and 22 tRNA genes. The whole genome base composition was estimated to be 33.40% A, 27.43% C, 14.26% G and 24.89% T. The complete mitochondrial genome of catfish, Rita rita provides the basis for genetic breeding and conservation studies.

  14. Approximating the Shifted Hartree-Exchange-Correlation Potential in Direct Energy Kohn-Sham Theory.

    Science.gov (United States)

    Sharpe, Daniel J; Levy, Mel; Tozer, David J

    2018-02-13

    Levy and Zahariev [Phys. Rev. Lett. 113 113002 (2014)] have proposed a new approach for performing density functional theory calculations, termed direct energy Kohn-Sham (DEKS) theory. In this approach, the electronic energy equals the sum of orbital energies, obtained from Kohn-Sham-like orbital equations involving a shifted Hartree-exchange-correlation potential, which must be approximated. In the present study, density scaling homogeneity considerations are used to facilitate DEKS calculations on a series of atoms and molecules, leading to three nonlocal approximations to the shifted potential. The first two rely on preliminary Kohn-Sham calculations using a standard generalized gradient approximation (GGA) exchange-correlation functional and the results illustrate the benefit of describing the dominant Hartree component of the shift exactly. A uniform electron gas analysis is used to eliminate the need for these preliminary Kohn-Sham calculations, leading to a potential with an unconventional form that yields encouraging results, providing strong motivation for further research in DEKS theory.

  15. Comparison of Schwinger and Kohn variational phase shift calculations

    International Nuclear Information System (INIS)

    Callaway, I.

    1980-01-01

    Numerical calculations of the l = 0 phase shift for an attractive Yukawa potential are reported using Schwinger and Kohn (type) variational methods. Accurate values can be obtained from both procedures, but when the same basis set of short range functions is used, the Kohn procedure gives superior results. (orig.)

  16. Variational method for inverting the Kohn-Sham procedure

    International Nuclear Information System (INIS)

    Kadantsev, Eugene S.; Stott, M.J.

    2004-01-01

    A procedure based on a variational principle is developed for determining the local Kohn-Sham (KS) potential corresponding to a given ground-state electron density. This procedure is applied to calculate the exchange-correlation part of the effective Kohn-Sham (KS) potential for the neon atom and the methane molecule

  17. A Hohenberg-Kohn theorem for non-local potentials

    International Nuclear Information System (INIS)

    Meron, E.; Katriel, J.

    1977-01-01

    It is shown that within any class of commuting one-body potentials a Hohenberg-Kohn type theorem is satisfied with respect to an appropriately defined density. The Hohenberg-Kohn theorem for local potentials follows as a special case. (Auth.)

  18. Strong Correlation in Kohn-Sham Density Functional Theory

    NARCIS (Netherlands)

    Malet, F.; Gori Giorgi, P.

    2012-01-01

    We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to approximate the exchange-correlation energy of the restricted Kohn-Sham scheme. Our approximation corresponds to a highly nonlocal density functional whose functional derivative can be easily constructed,

  19. The Kohn Social Competence Scale and Kohn Symptom Checklist for the Preschool Child: A Follow-Up Report

    Science.gov (United States)

    Kohn, Martin

    1977-01-01

    The paper focuses on two research instruments, the Kohn Social Competence Scale and the Kohn Symptom Checklist, designed to assess the behavior of children in a preschool setting as well as on two factor-analytically derived dimensions of social-emotional functioning which the instruments measure. (SBH)

  20. Time-dependent Kohn-Sham approach to quantum electrodynamics

    International Nuclear Information System (INIS)

    Ruggenthaler, M.; Mackenroth, F.; Bauer, D.

    2011-01-01

    We prove a generalization of the van Leeuwen theorem toward quantum electrodynamics, providing the formal foundations of a time-dependent Kohn-Sham construction for coupled quantized matter and electromagnetic fields. We circumvent the symmetry-causality problems associated with the action-functional approach to Kohn-Sham systems. We show that the effective external four-potential and four-current of the Kohn-Sham system are uniquely defined and that the effective four-current takes a very simple form. Further we rederive the Runge-Gross theorem for quantum electrodynamics.

  1. Nonadiabatic effects on surfaces: Kohn anomaly, electronic damping of adsorbate vibrations, and local heating of single molecules

    International Nuclear Information System (INIS)

    Kroeger, J

    2008-01-01

    Three aspects of electron-phonon coupling at metal surfaces are reviewed. One aspect is the Kohn effect, which describes an anomalous dispersion relation of surface phonons due to quasi-one-dimensional nesting of Fermi surface contours. The combination of electron energy loss spectroscopy and angle-resolved photoelectron spectroscopy allows us to unambiguously characterize Kohn anomaly systems. A second aspect is the nonadiabatic damping of adsorbate vibrations. Characteristic spectroscopic line shapes of vibrational modes allow us to estimate the amount of energy transfer between the vibrational mode and electron-hole pairs. Case studies of a Kohn anomaly and nonadiabatic damping are provided by the hydrogen- and deuterium-covered Mo(110) surface. As a third aspect of interaction between electrons and phonons, local heating of a C 60 molecule adsorbed on Cu(100) and in contact with the tip of a scanning tunnelling microscope is covered

  2. Architecture student Meredith Baber wins Kohn Pedersen Fox Traveling Fellowship

    OpenAIRE

    Chadwick, Heather Riley

    2009-01-01

    Meredith Baber of Cartersville, Va., a fourth-year honors architecture student in the School of Architecture + Design, is the first student in the history of Virginia Tech to win a prestigious Kohn Pederson Fox (KPF) Associates Travelling Fellowship.

  3. Lens proteome map and alpha-crystallin profile of the catfish Rita rita.

    Science.gov (United States)

    Mohanty, Bimal Prasanna; Bhattacharjee, Soma; Das, Manas Kumar

    2011-02-01

    Crystallins are a diverse group of proteins that constitute nearly 90% of the total soluble proteins of the vertebrate eye lens and these tightly packed crystallins are responsible for transparency of the lens. These proteins have been studied in different model and non-model species for understanding the modifications they undergo with ageing that lead to cataract, a disease of protein aggregation. In the present investigation, we studied the lens crystallin profile of the tropical freshwater catfish Rita rita. Profiles of lens crystallins were analyzed and crystallin proteome maps of Rita rita were generated for the first time. alphaA-crystallins, member of the alpha-crystallin family, which are molecular chaperons and play crucial role in maintaining lens transparency were identified by 1- and 2-D immunoblot analysis with anti-alphaA-crystallin antibody. Two protein bands of 19-20 kDa were identified as alphaA-crystallins on 1-D immunoblots and these bands separated into 10 discrete spots on 2-D immunoblot. However, anti-alphaB-crystallin and antiphospho-alphaB-crystallin antibodies were not able to detect any immunoreactive bands on 1- and 2-D immunoblots, indicating alphaB-crystallin was either absent or present in extremely low concentration in Rita rita lens. Thus, Rita rita alpha-crystallins are more like that of the catfish Clarias batrachus and the mammal kangaroo in its alphaA- and alphaB-crystallin content (contain low amount from 5-9% of alphaB-crystallin) and unlike the dogfish, zebrafish, human, bovine and mouse alpha-crystallins (contain higher amount of alphaB-crystallin from 25% in mouse and bovine to 85% in dogfish). Results of the present study can be the baseline information for stimulating further investigation on Rita rita lens crystallins for comparative lens proteomics. Comparing and contrasting the alpha-crystallins of the dogfish and Rita rita may provide valuable information on the functional attributes of alphaA- and alphaB-isoforms, as

  4. Molecular photoionization using the complex Kohn variational method

    International Nuclear Information System (INIS)

    Lynch, D.L.; Schneider, B.I.

    1992-01-01

    We have applied the complex Kohn variational method to the study of molecular-photoionization processes. This requires electron-ion scattering calculations enforcing incoming boundary conditions. The sensitivity of these results to the choice of the cutoff function in the Kohn method has been studied and we have demonstrated that a simple matching of the irregular function to a linear combination of regular functions produces accurate scattering phase shifts

  5. Hole subbands in quantum wells: exact solution for six-dimensional Luttinger–Kohn Hamiltonian

    International Nuclear Information System (INIS)

    Belykh, V G; Tulupenko, V N

    2009-01-01

    The exact solution for wavefunctions of six-dimensional Luttinger–Kohn Hamiltonian, describing the valence band of cubic semiconductors in the effective mass approximation, is derived. The problem of space quantization for a rectangular quantum well with finite depth is solved. The wavefunctions of carriers in the quantum well are built up of a complete set of exact wavefunctions for the bulk materials constituting the heterojunction. Obtained formulae for wavefunctions permit one to derive the analytical expression for a determinant, which nulls give the allowed energy values. Comparison of the energy spectra for the Si/Si 0.88 Ge 0.12 quantum well obtained in the framework of the developed technique, and using four-dimensional Luttinger–Kohn Hamiltonian allows us to trace clearly the impact of the spin–orbit interaction on the formation of the energy spectrum for the quantum well

  6. Looking at the future with Rita.

    Science.gov (United States)

    Bentivoglio, M

    2013-11-12

    This paper on Rita Levi-Montalcini (1909-2012), who received in 1986 the Nobel Prize in Physiology or Medicine for the discovery of nerve growth factor, focuses on aspects of her advocacy and her commitment to education in which she has been especially active in the last part of her long life. With passionate confidence on the capabilities of the aging brain (together with severe admonition against the pursuit of immortality), she encouraged contributions of senior citizens to the society. Always projected into the future, with enduring faith in the potential of young individuals, in education as a key to development, in the capabilities of women, in the importance of gender equality, Rita established in 2001 the Rita Levi-Montalcini Foundation for the education of African women. Her legacy on engagement for a better 'global village' should not be forgotten by the neuroscience community.

  7. Realizing the full potential of a RITA spectrometer

    DEFF Research Database (Denmark)

    Lefmann, K.; Niedermayer, C.; Abrahamsen, A.B.

    2006-01-01

    The “re-invented triple-axis spectrometer (RITA) concept has existed for a decade. Recent developments at RITA-2 at PSI, have revealed more of the potential of this instrument class. We demonstrate the performance of the multi-blade imaging mode, which has been applied e.g. to studies of dispersion...... relations and emphasize the power of this mode in combination with the low background of RITA-2. In addition, we present other ways of utilizing the position sensitive detector in a RITA instrument. Simulations of a planned upgrade of the guide-monochromator system at RITA-2 have shown a potential...

  8. "Making Lemonade from Lemons:" Early Childhood Teacher Educators' Programmatic Responses to Hurricanes Katrina and Rita

    Science.gov (United States)

    DiCarlo, Cynthia F.; Burts, Diane C.; Buchanan, Teresa K.; Aghayan, Carol; Benedict, Joan

    2007-01-01

    This article describes how early childhood teacher education faculty at one university responded in the aftermath of hurricanes Katrina and Rita and used the disaster to enhance their undergraduate and graduate programs. They explain how they modeled developmentally appropriate practices while responding to community needs. Four companion articles…

  9. Antibacterial properties of the skin mucus of the freshwater fishes, Rita rita and Channa punctatus.

    Science.gov (United States)

    Kumari, U; Nigam, A K; Mitial, S; Mitial, A K

    2011-07-01

    The skin mucus of Rita rita and Channa punctatus was investigated to explore the possibilities of its antibacterial properties. Skin mucus was extracted in acidic solvents (0.1% trifluoroacetic acid and 3% acetic acid) and in triple distilled water (aqueous medium). The antibacterial activity of the mucus extracts was analyzed, using disc diffusion method, against five strains of bacteria--the Gram-positive Staphylococcus aureus and Micrococcus luteus; and the Gram negative Escherichia coli, Pseudomonas aeruginosa and Salmonella typhi. In both Rita rita and Channa punctatus, the skin mucus extracted in acidic solvents as well as in aqueous medium show antibacterial activity against Staphylococcus aureus and Micrococcus luteus. Nevertheless, the activity is higher in acidic solvents than that in aqueous medium. The acidic mucus extracts of Rita rita, show antibacterial activity against Salmonella typhi as well. The results suggest that fish skin mucus have bactericidal properties and thus play important role in the protection of fish against the invasion of pathogens. Fish skin mucus could thus be regarded as a potential source of novel antibacterial components.

  10. Kohn-Luttinger superconductivity in monolayer and bilayer semimetals with the Dirac spectrum

    International Nuclear Information System (INIS)

    Kagan, M. Yu.; Mitskan, V. A.; Korovushkin, M. M.

    2014-01-01

    The effect of Coulomb interaction in an ensemble of Dirac fermions on the formation of superconducting pairing in monolayer and bilayer doped graphene is studied using the Kohn-Luttinger mechanism disregarding the Van der Waals potential of the substrate and impurities. The electronic structure of graphene is described using the Shubin-Vonsovsky model taking into account the intratomic, interatomic, and interlayer (in the case of bilayer graphene) Coulomb interactions between electrons. The Cooper instability is determined by solving the Bethe-Saltpeter integral equation. The renormalized scattering amplitude is obtained with allowance for the Kohn-Luttinger polarization contributions up to the second order of perturbation theory in the Coulomb interaction. It plays the role of effective interaction in the Bethe-Salpeter integral equation. It is shown that the allowance for the Kohn-Luttinger renormalizations as well as intersite Coulomb interaction noticeably affects the competition between the superconducting phases with the f-wave and d + id-wave symmetries of the order parameter. It is demonstrated that the superconducting transition temperature for an idealized graphene bilayer with significant interlayer Coulomb interaction between electrons is noticeably higher than in the monolayer case

  11. Effective electronic-only Kohn-Sham equations for the muonic molecules.

    Science.gov (United States)

    Rayka, Milad; Goli, Mohammad; Shahbazian, Shant

    2018-03-28

    A set of effective electronic-only Kohn-Sham (EKS) equations are derived for the muonic molecules (containing a positively charged muon), which are completely equivalent to the coupled electronic-muonic Kohn-Sham equations derived previously within the framework of the nuclear-electronic orbital density functional theory (NEO-DFT). The EKS equations contain effective non-coulombic external potentials depending on parameters describing the muon's vibration, which are optimized during the solution of the EKS equations making the muon's KS orbital reproducible. It is demonstrated that the EKS equations are derivable from a certain class of effective electronic Hamiltonians through applying the usual Hohenberg-Kohn theorems revealing a "duality" between the NEO-DFT and the effective electronic-only DFT methodologies. The EKS equations are computationally applied to a small set of muoniated organic radicals and it is demonstrated that a mean effective potential may be derived for this class of muonic species while an electronic basis set is also designed for the muon. These computational ingredients are then applied to muoniated ferrocenyl radicals, which had been previously detected experimentally through adding a muonium atom to ferrocene. In line with previous computational studies, from the six possible species, the staggered conformer, where the muon is attached to the exo position of the cyclopentadienyl ring, is deduced to be the most stable ferrocenyl radical.

  12. Krimmi-Rita juubelituur Eestimaal / Enda Trubok

    Index Scriptorium Estoniae

    Trubok, Enda

    2010-01-01

    Kontši-Savva ehk Krasnodarka küla eesti seltsi esinaisel Rita Kadilkinal (neiupõlvenimi Kuusk), kelle esivanemad 1862. aastal Järvamaalt – Albu vallast – Krimmi paremaid maid otsima läksid, täitus septembris 70 eluaastat, mille puhul otsustaski ta Eestisse tulla

  13. A Green Prison: The Santa Rita Jail Campus Microgrid

    Energy Technology Data Exchange (ETDEWEB)

    Marnay, Chris; DeForest, Nicholas; Lai, Judy

    2012-01-22

    A large microgrid project is nearing completion at Alameda County’s twenty-two-year-old 45 ha 4,000-inmate Santa Rita Jail, about 70 km east of San Francisco. Often described as a green prison, it has a considerable installed base of distributed energy resources (DER) including an eight-year old 1.2 MW PV array, a five-year old 1 MW fuel cell with heat recovery, and considerable efficiency investments. A current US$14 M expansion adds a 2 MW-4 MWh Li-ion battery, a static disconnect switch, and various controls upgrades. During grid blackouts, or when conditions favor it, the Jail can now disconnect from the grid and operate as an island, using the on-site resources described together with its back-up diesel generators. In other words, the Santa Rita Jail is a true microgrid, or μgrid, because it fills both requirements, i.e. it is a locally controlled system, and it can operate both grid connected and islanded. The battery’s electronics includes Consortium for Electric Reliability Technology (CERTS) Microgrid technology. This enables the battery to maintain energy balance using droops without need for a fast control system.

  14. RITA inhibits multiple myeloma cell growth through induction of p53-mediated caspase-dependent apoptosis and synergistically enhances nutlin-induced cytotoxic responses.

    Science.gov (United States)

    Saha, Manujendra N; Jiang, Hua; Mukai, Asuka; Chang, Hong

    2010-11-01

    Mutations or deletions of p53 are relatively rare in multiple myeloma (MM), at least in newly diagnosed patients. Thus, restoration of p53 tumor suppressor function in MM by blocking the inhibitory role of murine double minute 2 (MDM2) is a promising and applicable therapeutic strategy. RITA and nutlin are two new classes of small molecule MDM2 inhibitors that prevent the p53-MDM2 interaction. Earlier reports showed p53-dependent activity of RITA in solid tumors as well as in leukemias. We and others recently described nutlin-induced apoptosis in MM cells, but it remains unclear whether RITA exerts antimyeloma activity. Here, we found that RITA activates the p53 pathway and induces apoptosis in MM cell lines and primary MM samples, preferentially killing myeloma cells. The activation of p53 induced by RITA was mediated through modulation of multiple apoptotic regulatory proteins, including upregulation of a proapoptotic protein (NOXA), downregulation of an antiapoptotic protein, Mcl-1, and activation of caspases through extrinsic pathways. Moreover, a number of key p53-mediated apoptotic target genes were identified by gene expression profiling and further validated by quantitative real-time PCR. Importantly, the combination of RITA with nutlin displayed a strong synergism on growth inhibition with the combination index ranging from 0.56 to 0.82 in MM cells. Our data support further clinical evaluation of RITA as a potential novel therapeutic intervention in MM. ©2010 AACR.

  15. Kohn-Sham potentials for fullerenes and spherical molecules

    International Nuclear Information System (INIS)

    Pavlyukh, Y.; Berakdar, J.

    2010-01-01

    We present a procedure for the construction of accurate Kohn-Sham potentials of quasispherical molecules starting from the first-principles valence densities. The method is demonstrated for the case of icosahedral C 20 2+ and C 60 molecules. Provided the density is N representable the Hohenberg-Kohn theorem guarantees the uniqueness of the obtained potentials. The potential is iteratively built following the suggestion of R. van Leeuwen and E. J. Baerends [Phys. Rev. A 49, 2421 (1994)]. The high symmetry of the molecules allows a parametrization of the angular dependence of the densities and the potentials using a small number of symmetry-adapted spherical harmonics. The radial behavior of these quantities is represented on a grid and the density is reconstructed from the approximate potential by numerically solving the coupled-channel Kohn-Sham equations. Subsequently, the potential is updated and the procedure is continued until convergence is achieved.

  16. Poisson equation in the Kohn-Sham Coulomb problem

    OpenAIRE

    Manby, F. R.; Knowles, Peter James

    2001-01-01

    We apply the Poisson equation to the quantum mechanical Coulomb problem for many-particle systems. By introducing a suitable basis set, the two-electron Coulomb integrals become simple overlaps. This offers the possibility of very rapid linear-scaling treatment of the Coulomb contribution to Kohn-Sham theory.

  17. Kohn Anomaly and Phase Stability in Group VB Transition Metals

    Directory of Open Access Journals (Sweden)

    Alexander Landa

    2018-03-01

    Full Text Available In the periodic table, only a few pure metals exhibit lattice or magnetic instabilities associated with Fermi surface nesting, the classical examples being α-U and Cr. Whereas α-U displays a strong Kohn anomaly in the phonon spectrum that ultimately leads to the formation of charge density waves (CDWs, Cr is known for its nesting-induced spin density waves (SDWs. Recently, it has become clear that a pronounced Kohn anomaly and the corresponding softening in the elastic constants is also the key factor that controls structural transformations and mechanical properties in compressed group VB metals—materials with relatively high superconducting critical temperatures. This article reviews the current understanding of the structural and mechanical behavior of these metals under pressure with an introduction to the concept of the Kohn anomaly and how it is related to the important concept of Peierls instability. We review both experimental and theoretical results showing different manifestations of the Kohn anomaly in the transverse acoustic phonon mode TA (ξ00 in V, Nb, and Ta. Specifically, in V the anomaly triggers a structural transition to a rhombohedral phase, whereas in Nb and Ta it leads to an anomalous reduction in yield strength.

  18. The Compassion Our Children Deserve: An Interview with Alfie Kohn.

    Science.gov (United States)

    Miller, Ron; Kohn, Alfie

    2000-01-01

    Alfie Kohn, former teacher and current educational theorist and writer, discusses his views on teaching, learning, and parenting. He addresses the problems of reward-based education, the negative effects of competition on learning, and capitalizing on the naturalness of altruistic behavior in humans. He stresses the importance of treating children…

  19. [Alfred Kohn, professor of histology at German University in Prague].

    Science.gov (United States)

    Nanka, O; Grim, M

    2008-01-01

    Prof. Kohn (1867-1959) was the head of the Institute of Histology at the Medical Faculty of German University in Prague for 26 years. In 2007 we commemorated his 140th birthday, and 2009 we will remember the 50th anniversary of his death. He entered the history of medicine by discovery of nature and origin of parathyroid glands and by pioneer research into chromaffin cells and sympathetic paraganglia. Kohn's papers on the pituitary, interstitial cells of testes, and ovaries are also related to endocrinology. All his studies are based on descriptive and comparative histological and embryological observations. Kohn was twice the dean of German Medical Faculty, and a member or honorary member of many important scientific societies. He was repeatedly nominated for Nobel Prize for physiology and medicine. For his Jewish origin he was expelled from Deutsche Gesellschaft der Wissenschaften und Künste für die Tschechoslowakische Republik in 1939 and transported to Terezin ghetto in 1943. After the war he lived in Prague. On the occasion of his 90th birthday he was elected honorary president of Anatomische Gesellschaft and awarded by the Czechoslovak Order of Labour. Alfred Kohn died in 1959. He was one of the outstanding personalities that Prague gave to the world of science.

  20. Retention of Displaced Students after Hurricanes Katrina and Rita

    Science.gov (United States)

    Coco, Joshua Christian

    2017-01-01

    The purpose of the study was to investigate the strategies that university leaders implemented to improve retention of displaced students in the aftermaths of Hurricanes Katrina and Rita. The universities that participated in this study admitted displaced students after Hurricanes Katrina and Rita. This study utilized a qualitative…

  1. Simulations and experiments on RITA-2 at PSI

    DEFF Research Database (Denmark)

    Klausen, S.N.; Lefmann, K.; McMorrow, D.F.

    2002-01-01

    The cold-neutron triple-axis spectrometer RITA-2 designed and built at Riso National Laboratory was installed at the neutron source SINQ at Paul Scherrer Institute in April/May 2001. In connection with the installation of RITA-2, computer simulations were performed using the neutron ray...

  2. Realizing the full potential of a RITA spectrometer

    International Nuclear Information System (INIS)

    Lefmann, K.; Niedermayer, Ch.; Abrahamsen, A.B.; Bahl, C.R.H.; Christensen, N.B.; Jacobsen, H.S.; Larsen, T.L.; Haefliger, P.; Filges, U.; Ronnow, H.M.

    2006-01-01

    The 're-invented triple-axis spectrometer (RITA) concept has existed for a decade. Recent developments at RITA-2 at PSI, have revealed more of the potential of this instrument class. We demonstrate the performance of the multi-blade imaging mode, which has been applied e.g. to studies of dispersion relations and emphasize the power of this mode in combination with the low background of RITA-2. In addition, we present other ways of utilizing the position sensitive detector in a RITA instrument. Simulations of a planned upgrade of the guide-monochromator system at RITA-2 have shown a potential to increase the flux at the sample position by a factor 5

  3. Realizing the full potential of a RITA spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Lefmann, K. [Riso National Laboratory, Frederiksborgvej 399, DK-4000 Roskilde (Denmark)]. E-mail: kim.lefmann@risoe.dk; Niedermayer, Ch. [Laboratory for Neutron Scattering, ETH-Zuerich and Paul Scherrer Institut, CH-5232 Villilgen (Switzerland); Abrahamsen, A.B. [Riso National Laboratory, Frederiksborgvej 399, DK-4000 Roskilde (Denmark); Bahl, C.R.H. [Riso National Laboratory, Frederiksborgvej 399, DK-4000 Roskilde (Denmark); Christensen, N.B. [Riso National Laboratory, Frederiksborgvej 399, DK-4000 Roskilde (Denmark): Laboratory for Neutron Scattering, ETH-Zuerich and Paul Scherrer Institut, CH-5232 Villilgen (Switzerland); Jacobsen, H.S. [Niels Bohr Institute, University of Copenhagen, DK-2100 Copenhagen O (Denmark); Larsen, T.L. [Niels Bohr Institute, University of Copenhagen, DK-2100 Copenhagen O (Denmark); Haefliger, P. [Laboratory for Neutron Scattering, ETH-Zuerich and Paul Scherrer Institut, CH-5232 Villilgen (Switzerland); Filges, U. [Laboratory for Neutron Scattering, ETH-Zuerich and Paul Scherrer Institut, CH-5232 Villilgen (Switzerland); Ronnow, H.M. [Laboratory for Neutron Scattering, ETH-Zuerich and Paul Scherrer Institut, CH-5232 Villilgen (Switzerland)

    2006-11-15

    The 're-invented triple-axis spectrometer (RITA) concept has existed for a decade. Recent developments at RITA-2 at PSI, have revealed more of the potential of this instrument class. We demonstrate the performance of the multi-blade imaging mode, which has been applied e.g. to studies of dispersion relations and emphasize the power of this mode in combination with the low background of RITA-2. In addition, we present other ways of utilizing the position sensitive detector in a RITA instrument. Simulations of a planned upgrade of the guide-monochromator system at RITA-2 have shown a potential to increase the flux at the sample position by a factor 5.

  4. Morphological observation and length-weight relationship of critically endangered riverine catfish Rita rita (Hamilton).

    Science.gov (United States)

    Amin, M R; Mollah, M F A; Taslima, K; Muhammadullah

    2014-01-15

    The experiment was conducted to investigate the morphological status of the critically endangered riverine catfish Rita rita using morphometric and meristic traits. About 158 species of Rita were collected from the old Brahmaputra river in Mymensingh district and were studied in the laboratory of the Fisheries Biology and Genetics Department, Bangladesh Agricultural University. Measurement of length and weight of Rita were recorded by using measuring scale and electric balance respectively. Significant curvilinear relationship existed between total length and other morphometric characters and between head length and other characters of the head. Relationships between total length and various body measurements of the fish were highly significant (p < 0.01) except the relationship between total length and pelvic fin length of male fish (p < 0.05). In case of meristic characters-dorsal fin rays, pelvic fin rays, pectoral fin rays, anal fin rays, caudal fin rays, number of vertebrae and branchiostegal rays were found to be more or less similar except slight differences. The values of condition factors (k) in the total length body-weight relationships for female and male were found to be 0.41 and 0.38, respectively. The mean values of relative condition factors (kn) were 1.0 and 1.005 for female and male, respectively.

  5. Extension of the Kohn-Sham formulation of density functional theory to finite temperature

    Science.gov (United States)

    Gonis, A.; Däne, M.

    2018-05-01

    Based on Mermin's extension of the Hohenberg and Kohn theorems to non-zero temperature, the Kohn-Sham formulation of density functional theory (KS-DFT) is generalized to finite temperature. We show that present formulations are inconsistent with Mermin's functional containing expressions, in particular describing the Coulomb energy, that defy derivation and are even in violation of rules of logical inference. More; current methodology is in violation of fundamental laws of both quantum and classical mechanics. Based on this feature, we demonstrate the impossibility of extending the KS formalism to finite temperature through the self-consistent solutions of the single-particle Schrödinger equation of T > 0. Guided by the form of Mermin's functional that depends on the eigenstates of a Hamiltonian, determined at T = 0, we base our extension of KS-DFT on the determination of the excited states of a non-interacting system at the zero of temperature. The resulting formulation is consistent with that of Mermin constructing the free energy at T > 0 in terms of the excited states of a non-interacting Hamiltonian (system) that, within the KS formalism, are described by Slater determinants. To determine the excited states at T = 0 use is made of the extension of the Hohenberg and Kohn theorems to excited states presented in previous work applied here to a non-interacting collection of replicas of a non-interacting N-particle system, whose ground state density is taken to match that of K non-interacting replicas of an interacting N-particle system at T = 0 . The formalism allows for an ever denser population of the excitation spectrum of a Hamiltonian, within the KS approximation. The form of the auxiliary potential, (Kohn-Sham potential), is formally identical to that in the ground state formalism with the contribution of the Coulomb energy provided by the derivative of the Coulomb energy in all excited states taken into account. Once the excited states are determined, the

  6. Environmental Impact Report from Santa Rita Hydroelectric Power Plant (Minas Gerais State - Brazil): technical strategic for its elaboration; Relatorio de Impacto Ambiental da Usina Hidreletrica da Santa Rita (MG): estrategica tecnica para sua elaboracao

    Energy Technology Data Exchange (ETDEWEB)

    Souza, J.A. de; Marques Neto, F P [Companhia Energetica de Minas Gerais (CEMIG), Belo Horizonte, MG (Brazil)

    1990-12-31

    The steps for developing the technical strategies used on the elaboration of Environmental Impact Report from Santa Rita Hydroelectric Power Plant, Minas Gerais State, are described, including the influence area, technical requirements, impact identification, technical selection of mitigative measures, impact meaning and strategy for evaluating the identified impacts. (C.G.C.).

  7. Environmental Impact Report from Santa Rita Hydroelectric Power Plant (Minas Gerais State - Brazil): technical strategic for its elaboration

    International Nuclear Information System (INIS)

    Souza, J.A. de; Marques Neto, F.P.

    1989-01-01

    The steps for developing the technical strategies used on the elaboration of Environmental Impact Report from Santa Rita Hydroelectric Power Plant, Minas Gerais State, are described, including the influence area, technical requirements, impact identification, technical selection of mitigative measures, impact meaning and strategy for evaluating the identified impacts. (C.G.C.)

  8. Rising Above the Water: New Orleans Implements Energy Efficiency and Sustainability Practices Following Hurricanes Katrina and Rita (Fact Sheet)

    Energy Technology Data Exchange (ETDEWEB)

    2012-07-01

    This fact sheet describes the technical assistance that the U.S. Department of Energy, through its National Renewable Energy Laboratory, provided to New Orleans, Louisiana, which helped the city incorporate energy efficiency into its rebuilding efforts for K-12 schools and homes following Hurricanes Katrina and Rita. NREL also provided support and analysis on energy policy efforts.

  9. RITA: The reinvented triple axis spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Mason, T.E. [Toronto Univ., ON (Canada). Dept. of Physics; Clausen, K.N.; Aeppli, G.; McMorrow, D.R.; Kjems, J.K. [Risoe National Lab., Roskilde (Denmark)

    1995-11-01

    Risoe National Laboratory was reported to be in the process of developing a new spectrometer design, RITA, based on the triple axis design. The spectrometer will attempt to incorporate more recent innovations such as multilayer supermirrors and microstrip proportional counters into a rethinking of the triple-axis spectrometer. By optimizing the beam optics, using supermirrors and extending the analyser to map regions of (Q, {omega}) space using an array of independently controllable pyrolytic graphite crystals focussed on an area detector, it was hoped that the efficiency of single-crystal inelastic experiments could be increased by as much as a factor of 20. 7 figs., 20 refs.

  10. Positron-atom scattering using a modified Kohn variational technique

    International Nuclear Information System (INIS)

    Page, B.A.P.

    1976-01-01

    An analysis of the zero-energy positron-hydrogen and positron-helium systems using various approximations to the target ground-state wavefunction is presented. A modification of the normal Kohn variational method is used in which a quantity, asub(Q), which becomes the Kohn scattering length if the target wavefunction is exact, is related to the trial wavefunction psisub(t) through an integral expression. By comparing the results obtained with the definitive values for the positron-hydrogen system, it is conjectured that if the values of asub(Q) display a local minimum when all the nonlinear parameters of psisub(t) are varied, then this local minimum of asub(Q) is an upper bound on the exact scattering length. Using this criterion to analyse the positron-helium results, it is concluded that this method may be considered as an alternative to the 'method of models' procedure, since both methods give similar results. (author)

  11. RITA Mimics: Synthesis and Mechanistic Evaluation of Asymmetric Linked Trithiazoles.

    Science.gov (United States)

    Pietkiewicz, Adrian L; Zhang, Yuqi; Rahimi, Marwa N; Stramandinoli, Michael; Teusner, Matthew; McAlpine, Shelli R

    2017-04-13

    The established cytotoxic agent RITA contains a thiophene-furan-thiophene backbone and two terminal alcohol groups. Herein we investigate the effect of using thiazoles as the backbone in RITA-like molecules and modifying the terminal groups of these trithiazoles, thereby generating 41 unique structures. Incorporating side chains with varied steric bulk allowed us to investigate how size and a stereocenter impacted biological activity. Subjecting compounds to growth inhibition assays on HCT-116 cells showed that the most potent compounds 7d , 7e , and 7h had GI 50 values of 4.4, 4.4, and 3.4 μM, respectively, versus RITA (GI 50 of 800 nM). Analysis of these compounds in apoptosis assays proved that 7d , 7e , and 7h were as effective as RITA at inducing apoptosis. Evaluating the impact of 7h on proteins targeted by RITA (p53, c-Myc, and Mcl-1) indicated that it acts via a different mechanism of action to that of RITA. RITA suppressed Mcl-1 protein via p53, whereas compound 7h suppressed Mcl-1 expression via an alternative mechanism independent of p53.

  12. Bypassing the Kohn-Sham equations with machine learning.

    Science.gov (United States)

    Brockherde, Felix; Vogt, Leslie; Li, Li; Tuckerman, Mark E; Burke, Kieron; Müller, Klaus-Robert

    2017-10-11

    Last year, at least 30,000 scientific papers used the Kohn-Sham scheme of density functional theory to solve electronic structure problems in a wide variety of scientific fields. Machine learning holds the promise of learning the energy functional via examples, bypassing the need to solve the Kohn-Sham equations. This should yield substantial savings in computer time, allowing larger systems and/or longer time-scales to be tackled, but attempts to machine-learn this functional have been limited by the need to find its derivative. The present work overcomes this difficulty by directly learning the density-potential and energy-density maps for test systems and various molecules. We perform the first molecular dynamics simulation with a machine-learned density functional on malonaldehyde and are able to capture the intramolecular proton transfer process. Learning density models now allows the construction of accurate density functionals for realistic molecular systems.Machine learning allows electronic structure calculations to access larger system sizes and, in dynamical simulations, longer time scales. Here, the authors perform such a simulation using a machine-learned density functional that avoids direct solution of the Kohn-Sham equations.

  13. Hohenberg-Kohn theorem and non-V-representable densities

    International Nuclear Information System (INIS)

    Englisch, H.; Englisch, R.

    1983-01-01

    In the density-functional formalism of Hohenberg and Kohn, the variation is only allowed over the one-particle densities which are pure-state-V-representable (PS-V-representable). Levy and Lieb proved that not every ensemble-V-representable (E-V-representable) density is PS-V-representable. Since we show that the Hohenberg-Kohn formalism can be extended to a variation over E-V-representable densities for degenerated ground states, Levy's and Lieb's result is not a counterexample to the universality of the Hohenberg-Kohn theorem. The question whether every N-representable density is E-V-representable has remained open so far. Presenting examples of non-E-V-representable densities we answer this question in the negative. Thus the value of Levy's functional for the calculation of ground-state energies is obvious, since this functional only requires the N-representability of the densities. Therefore we transfer two approaches for the calculation of excited-state energies into the framework of Levy's formalism. (orig.)

  14. Children and Trauma: A Post-Katrina and Rita Response

    Science.gov (United States)

    Hebert, Barbara B.; Ballard, Mary B.

    2007-01-01

    Many children have struggled to cope with the traumatic experiences brought about by hurricanes Katrina and Rita. This article recounts how the authors intervened in the lives of children and families after the storms. (Contains 3 figures.)

  15. Rita Felski, The Limits of Critique

    Directory of Open Access Journals (Sweden)

    Corrado Confalonieri

    2017-05-01

    Full Text Available Professore di Letteratura inglese presso la University of Virginia – e dal 2016 Niels Bohr Professor alla University of Southern Denmark per un progetto quinquennale dedicato agli usi sociali della letteratura –, Rita Felski non è, all’interno del gruppo di studiosi che lavorano negli Stati Uniti, tra quelli più noti al pubblico italiano, e ciò non soltanto perché mancano traduzioni dei suoi libri, ma per il fatto che diversi tra questi sono rivolti a un contesto piuttosto specificamente americano. Non fa eccezione The Limits of Critique, il libro che qui si presenta e che dovrebbe costituire la seconda uscita di una trilogia avviata nel 2008 con Uses of Literature (Wiley-Blackwell e destinata a concludersi con un volume ora in fase di elaborazione dedicato al coinvolgimento estetico e alle ragioni per cui, come lettori o spettatori, siamo affascinati da un’opera d’arte.

  16. Kohn-Sham Theory for Ground-State Ensembles

    International Nuclear Information System (INIS)

    Ullrich, C. A.; Kohn, W.

    2001-01-01

    An electron density distribution n(r) which can be represented by that of a single-determinant ground state of noninteracting electrons in an external potential v(r) is called pure-state v -representable (P-VR). Most physical electronic systems are P-VR. Systems which require a weighted sum of several such determinants to represent their density are called ensemble v -representable (E-VR). This paper develops formal Kohn-Sham equations for E-VR physical systems, using the appropriate coupling constant integration. It also derives local density- and generalized gradient approximations, and conditions and corrections specific to ensembles

  17. The Relation between Parental Values and Parenting Behavior: A Test of the Kohn Hypothesis.

    Science.gov (United States)

    Luster, Tom; And Others

    1989-01-01

    Used data on 65 mother-infant dyads to test Kohn's hypothesis concerning the relation between values and parenting behavior. Findings support Kohn's hypothesis that parents who value self-direction would emphasize supportive function of parenting and parents who value conformity would emphasize their obligations to impose restraints. (Author/NB)

  18. Kohn-Sham density functional theory for quantum wires in arbitrary correlation regimes

    NARCIS (Netherlands)

    Malet, F.; Mirtschink, A.P.; Cremon, J. C.; Reimann, S. M.; Gori Giorgi, P.

    2013-01-01

    We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to construct an approximation for the exchange-correlation term of the Kohn-Sham approach. The resulting exchange-correlation potential is able to capture the features of the strongly correlated regime without

  19. What's It All About, Alfie? A Parent/Educator's Response to Alfie Kohn.

    Science.gov (United States)

    Rochester, J. Martin

    1998-01-01

    Rebuts Alfie Kohn's article "Only for My Kid: How Privileged Parents are Undermining School Reform" in the April 1998 "Kappan." Kohn expects the author to pay a fortune for a home in an affluent community so his kids can get violence-prevention training and sing "Kumbaya" in a mainstreamed classroom. Earning the right…

  20. Charge transfer excitations from exact and approximate ensemble Kohn-Sham theory

    Science.gov (United States)

    Gould, Tim; Kronik, Leeor; Pittalis, Stefano

    2018-05-01

    By studying the lowest excitations of an exactly solvable one-dimensional soft-Coulomb molecular model, we show that components of Kohn-Sham ensembles can be used to describe charge transfer processes. Furthermore, we compute the approximate excitation energies obtained by using the exact ensemble densities in the recently formulated ensemble Hartree-exchange theory [T. Gould and S. Pittalis, Phys. Rev. Lett. 119, 243001 (2017)]. Remarkably, our results show that triplet excitations are accurately reproduced across a dissociation curve in all cases tested, even in systems where ground state energies are poor due to strong static correlations. Singlet excitations exhibit larger deviations from exact results but are still reproduced semi-quantitatively.

  1. Propagators for the time-dependent Kohn-Sham equations

    International Nuclear Information System (INIS)

    Castro, Alberto; Marques, Miguel A. L.; Rubio, Angel

    2004-01-01

    In this paper we address the problem of the numerical integration of the time-dependent Schroedinger equation i∂ t φ=Hφ. In particular, we are concerned with the important case where H is the self-consistent Kohn-Sham Hamiltonian that stems from time-dependent functional theory. As the Kohn-Sham potential depends parametrically on the time-dependent density, H is in general time dependent, even in the absence of an external time-dependent field. The present analysis also holds for the description of the excited state dynamics of a many-electron system under the influence of arbitrary external time-dependent electromagnetic fields. Our discussion is separated in two parts: (i) First, we look at several algorithms to approximate exp(A), where A is a time-independent operator [e.g., A=-iΔtH(τ) for some given time τ]. In particular, polynomial expansions, projection in Krylov subspaces, and split-operator methods are investigated. (ii) We then discuss different approximations for the time-evolution operator, such as the midpoint and implicit rules, and Magnus expansions. Split-operator techniques can also be modified to approximate the full time-dependent propagator. As the Hamiltonian is time dependent, problem (ii) is not equivalent to (i). All these techniques have been implemented and tested in our computer code OCTOPUS, but can be of general use in other frameworks and implementations

  2. Rita Kirke: "Taimed on minu head õpetajad ja toetajad" / Rita Kirke

    Index Scriptorium Estoniae

    Kirke, Rita

    2006-01-01

    Elukutselisi aiakujundajaid tutvustavas sarjas vastab küsimustele läti aiakujundaja Rita Kirke. R. Kirkest, tema tähtsamad tööd. R. Kirke endast, oma õpetajatest, oma aiast ja töödest, Läti oludesse sobivast ja tüüpilisest Läti aiast, koostööst klientidega, lemmiktaimedest, taimede kättesaadavusest Lätis jpm. Ill.: R. Kirke portreefoto, 6 ill. tema töödest

  3. Mapping Hurricane Rita inland storm tide

    Science.gov (United States)

    Berenbrock, Charles; Mason, Jr., Robert R.; Blanchard, Stephen F.; Simonovic, Slobodan P.

    2009-01-01

    Flood-inundation data are most useful for decision makers when presented in the context of maps of effected communities and (or) areas. But because the data are scarce and rarely cover the full extent of the flooding, interpolation and extrapolation of the information are needed. Many geographic information systems (GIS) provide various interpolation tools, but these tools often ignore the effects of the topographic and hydraulic features that influence flooding. A barrier mapping method was developed to improve maps of storm tide produced by Hurricane Rita. Maps were developed for the maximum storm tide and at 3-hour intervals from midnight (0000 hour) through noon (1200 hour) on September 24, 2005. The improved maps depict storm-tide elevations and the extent of flooding. The extent of storm-tide inundation from the improved maximum storm-tide map was compared to the extent of flood-inundation from a map prepared by the Federal Emergency Management Agency (FEMA). The boundaries from these two maps generally compared quite well especially along the Calcasieu River. Also a cross-section profile that parallels the Louisiana coast was developed from the maximum storm-tide map and included FEMA high-water marks.

  4. Targeting NF-κB RelA/p65 phosphorylation overcomes RITA resistance.

    Science.gov (United States)

    Bu, Yiwen; Cai, Guoshuai; Shen, Yi; Huang, Chenfei; Zeng, Xi; Cao, Yu; Cai, Chuan; Wang, Yuhong; Huang, Dan; Liao, Duan-Fang; Cao, Deliang

    2016-12-28

    Inactivation of p53 occurs frequently in various cancers. RITA is a promising anticancer small molecule that dissociates p53-MDM2 interaction, reactivates p53 and induces exclusive apoptosis in cancer cells, but acquired RITA resistance remains a major drawback. This study found that the site-differential phosphorylation of nuclear factor-κB (NF-κB) RelA/p65 creates a barcode for RITA chemosensitivity in cancer cells. In naïve MCF7 and HCT116 cells where RITA triggered vast apoptosis, phosphorylation of RelA/p65 increased at Ser536, but decreased at Ser276 and Ser468; oppositely, in RITA-resistant cells, RelA/p65 phosphorylation decreased at Ser536, but increased at Ser276 and Ser468. A phosphomimetic mutation at Ser536 (p65/S536D) or silencing of endogenous RelA/p65 resensitized the RITA-resistant cells to RITA while the phosphomimetic mutant at Ser276 (p65/S276D) led to RITA resistance of naïve cells. In mouse xenografts, intratumoral delivery of the phosphomimetic p65/S536D mutant increased the antitumor activity of RITA. Furthermore, in the RITA-resistant cells ATP-binding cassette transporter ABCC6 was upregulated, and silencing of ABCC6 expression in these cells restored RITA sensitivity. In the naïve cells, ABCC6 delivery led to RITA resistance and blockage of p65/S536D mutant-induced RITA sensitivity. Taken together, these data suggest that the site-differential phosphorylation of RelA/p65 modulates RITA sensitivity in cancer cells, which may provide an avenue to manipulate RITA resistance. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  5. Testing Kohn's self-reliance hypothesis among high school adolescents.

    Science.gov (United States)

    Davis, R A

    1986-01-01

    Melvin Kohn and his associates have established that self-reliance promotes a sense of well-being (lower levels of fatalism) among adults. The present study attempts to test this proposition among adolescents. Instead of the usual job-related activities, however, it incorporates an alternative measure of self-reliance--high school curriculum assignment. Consistent with previous findings among adults, the results of this study show that self-reliance among adolescents also promotes a sense of well-being: students enrolled in tracks where close supervision is kept to a minimum and the exercise of initiative is emphasized tended to exhibit lower levels of fatalism. The implications of this finding for adolescents are discussed.

  6. In search of the Hohenberg-Kohn theorem

    Science.gov (United States)

    Lammert, Paul E.

    2018-04-01

    The Hohenberg-Kohn theorem, a cornerstone of electronic density functional theory, concerns uniqueness of external potentials yielding given ground densities of an N -body system. The problem is rigorously explored in a universe of three-dimensional Kato-class potentials, with emphasis on trade-offs between conditions on the density and conditions on the potential sufficient to ensure uniqueness. Sufficient conditions range from none on potentials coupled with everywhere strict positivity of the density to none on the density coupled with something a little weaker than local 3 N /2 -power integrability of the potential on a connected full-measure set. A second theme is localizability, that is, the possibility of uniqueness over subsets of R3 under less stringent conditions.

  7. Simulations and experiments on RITA-2 at PSI

    International Nuclear Information System (INIS)

    Klausen, S.N.; Lefmann, K.; McMorrow, D.F.; Altorfer, F.; Janssen, S.; Luethy, M.

    2002-01-01

    The cold-neutron triple-axis spectrometer RITA-2 designed and built at Riso National Laboratory was installed at the neutron source SINQ at Paul Scherrer Institute in April/May 2001. In connection with the installation of RITA-2, computer simulations were performed using the neutron ray-tracing package McStas. The simulation results are compared to real experimental results obtained with a powder sample. Especially, the flux at the sample position and the resolution function of the spectrometer are investigated. (orig.)

  8. Ambient Assisted Living and ageing: preliminary results of RITA project.

    Science.gov (United States)

    Aquilano, Michela; Cavallo, Filippo; Bonaccorsi, Manuele; Esposito, Raffaele; Rovini, Erika; Filippi, Massimo; Esposito, Dario; Dario, Paolo; Carrozza, Maria Chiara

    2012-01-01

    The ageing of population is a social phenomenon that most of worldwide countries are facing. They are, and will be even more in the future, indeed trying to find solutions for improving quality of life of their elderly citizens. The project RITA wants to demonstrate that an update of the current socio-medical services with an Ambient Assisted Living (AAL) approach could improve the service efficiency and the quality of life of both elderly and caregiver. This paper presents the preliminary results obtained in RITA.

  9. Simulations and experiments on RITA-2 at PSI

    Science.gov (United States)

    Klausen, S. N.; Lefmann, K.; McMorrow, D. F.; Altorfer, F.; Janssen, S.; Lüthy, M.

    The cold-neutron triple-axis spectrometer RITA-2 designed and built at Riso National Laboratory was installed at the neutron source SINQ at Paul Scherrer Institute in April/May 2001. In connection with the installation of RITA-2, computer simulations were performed using the neutron ray-tracing package McStas. The simulation results are compared to real experimental results obtained with a powder sample. Especially, the flux at the sample position and the resolution function of the spectrometer are investigated.

  10. RITA inhibits growth of human hepatocellular carcinoma through induction of apoptosis.

    Science.gov (United States)

    Wang, Haihe; Chen, Guofu; Wang, Hongzhi; Liu, Chunbo

    2013-01-01

    RBP-J-interacting and tubulin-associated (RITA) is a novel RBP-J-interacting protein that downregulates Notch-mediated transcription. The current study focuses on the antitumor effect of RITA in human hepatocellular carcinoma (HCC) and aims to explore its molecular mechanism. Thirty paired HCC and adjacent non-tumoral liver samples were analyzed by real-time quantitative reverse transcriptase polymerase chain reaction (qRT-PCR). RITA overexpression was induced by transfection of a pcDNA3.1-Flag-RITA plasmid into HepG2 cells. RITA knockdown was achieved by siRNA transfection. mRNA and protein expression of target genes were quantified by qRT-PCR and Western blotting, respectively. Cell proliferation and apoptosis were measured using MTT assay and flow cytometry. Our results demonstrate that adjacent nontumoral liver samples exhibited increased RITA expression compared to HCC tissues (p RITA levels were associated with tumor differentiation status. Overexpression of RITA suppressed cell proliferation and promoted early apoptosis, while its silencing promoted cell growth dramatically (p RITA overexpression upregulated p53 and reduced cyclin E levels, whereas silencing of RITA had the opposite effect on p53 and cyclin E expression. Our in vitro results represent the first evidence that RITA might suppress tumor growth and induce apoptosis in HCCs, and may be a potent antitumoral agent for HCC treatment that deserves further exploration.

  11. Deficiency of RITA results in multiple mitotic defects by affecting microtubule dynamics.

    Science.gov (United States)

    Steinhäuser, K; Klöble, P; Kreis, N-N; Ritter, A; Friemel, A; Roth, S; Reichel, J M; Michaelis, J; Rieger, M A; Louwen, F; Oswald, F; Yuan, J

    2017-04-01

    Deregulation of mitotic microtubule (MT) dynamics results in defective spindle assembly and chromosome missegregation, leading further to chromosome instability, a hallmark of tumor cells. RBP-J interacting and tubulin-associated protein (RITA) has been identified as a negative regulator of the Notch signaling pathway. Intriguingly, deregulated RITA is involved in primary hepatocellular carcinoma and other malignant entities. We were interested in the potential molecular mechanisms behind its involvement. We show here that RITA binds to tubulin and localizes to various mitotic MT structures. RITA coats MTs and affects their structures in vitro as well as in vivo. Tumor cell lines deficient of RITA display increased acetylated α-tubulin, enhanced MT stability and reduced MT dynamics, accompanied by multiple mitotic defects, including chromosome misalignment and segregation errors. Re-expression of wild-type RITA, but not RITA Δtub ineffectively binding to tubulin, restores the phenotypes, suggesting that the role of RITA in MT modulation is mediated via its interaction with tubulin. Mechanistically, RITA interacts with tubulin/histone deacetylase 6 (HDAC6) and its suppression decreases the binding of the deacetylase HDAC6 to tubulin/MTs. Furthermore, the mitotic defects and increased MT stability are also observed in RITA -/- mouse embryonic fibroblasts. RITA has thus a novel role in modulating MT dynamics and its deregulation results in erroneous chromosome segregation, one of the major reasons for chromosome instability in tumor cells.

  12. Properties of Augmented Kohn-Sham Potential for Energy as Simple Sum of Orbital Energies.

    Science.gov (United States)

    Zahariev, Federico; Levy, Mel

    2017-01-12

    A recent modification to the traditional Kohn-Sham method ( Levy , M. ; Zahariev , F. Phys. Rev. Lett. 2014 , 113 , 113002 ; Levy , M. ; Zahariev , F. Mol. Phys. 2016 , 114 , 1162 - 1164 ), which gives the ground-state energy as a direct sum of the occupied orbital energies, is discussed and its properties are numerically illustrated on representative atoms and ions. It is observed that current approximate density functionals tend to give surprisingly small errors for the highest occupied orbital energies that are obtained with the augmented potential. The appropriately shifted Kohn-Sham potential is the basic object within this direct-energy Kohn-Sham method and needs to be approximated. To facilitate approximations, several constraints to the augmented Kohn-Sham potential are presented.

  13. A multilevel correction adaptive finite element method for Kohn-Sham equation

    Science.gov (United States)

    Hu, Guanghui; Xie, Hehu; Xu, Fei

    2018-02-01

    In this paper, an adaptive finite element method is proposed for solving Kohn-Sham equation with the multilevel correction technique. In the method, the Kohn-Sham equation is solved on a fixed and appropriately coarse mesh with the finite element method in which the finite element space is kept improving by solving the derived boundary value problems on a series of adaptively and successively refined meshes. A main feature of the method is that solving large scale Kohn-Sham system is avoided effectively, and solving the derived boundary value problems can be handled efficiently by classical methods such as the multigrid method. Hence, the significant acceleration can be obtained on solving Kohn-Sham equation with the proposed multilevel correction technique. The performance of the method is examined by a variety of numerical experiments.

  14. Generalization of the variational principle and the Hohenberg and Kohn theorems for excited states of Fermion systems

    Energy Technology Data Exchange (ETDEWEB)

    Gonis, A., E-mail: gonis@comcast.net

    2017-01-05

    Through the entanglement of a collection of K non-interacting replicas of a system of N interacting Fermions, and making use of the properties of reduced density matrices the variational principle and the theorems of Hohenberg and Kohn are generalized to excited states. The generalization of the variational principle makes use of the natural orbitals of an N-particle density matrix describing the state of lowest energy of the entangled state. The extension of the theorems of Hohenberg and Kohn is based on the ground-state formulation of density functional theory but with a new interpretation of the concept of a ground state: It is the state of lowest energy of a system of KN Fermions that is described in terms of the excited states of the N-particle interacting system. This straightforward implementation of the line of reasoning of ground-state density functional theory to a new domain leads to a unique and logically valid extension of the theory to excited states that allows the systematic treatment of all states in the spectrum of the Hamiltonian of an interacting system. - Highlights: • Use of entanglement in connection with the properties of density matrices. • An anti-symmetric entangled state of order KN expressed in terms of excited states of an interacting N-particle system.

  15. Santa Rita Experimental Range digital database: user's guide

    Science.gov (United States)

    Mitchel P. McClaran; Deborah L. Angell; Craig Wissler

    2002-01-01

    Long-term measurements and repeat photograph collections have been collected in a systematic manner on the approximately 21,000 ha Santa Rita Experimental Range (SRER) since its establishment in 1903. This research facility, located in the Desert Grassland vegetation of southern Arizona, was administered by the U.S. Department of Agriculture until 1988, when it was...

  16. Swamp tours in Louisiana post Hurricane Katrina and Hurricane Rita

    Science.gov (United States)

    Dawn J. Schaffer; Craig A. Miller

    2007-01-01

    Hurricanes Katrina and Rita made landfall in southern Louisiana during August and September 2005. Prior to these storms, swamp tours were a growing sector of nature-based tourism that entertained visitors while teaching about local flora, fauna, and culture. This study determined post-hurricane operating status of tours, damage sustained, and repairs made. Differences...

  17. Resilience of Professional Counselors Following Hurricanes Katrina and Rita

    Science.gov (United States)

    Lambert, Simone F.; Lawson, Gerard

    2013-01-01

    Professional counselors who provided services to those affected by Hurricanes Katrina and Rita completed the K6+ (screen for severe mental illness), the Posttraumatic Growth Inventory, and the Professional Quality of Life Scale. Results indicated that participants who survived the hurricanes had higher levels of posttraumatic growth than…

  18. Velocity form of the Kohn-Sham frequency-dependent polarizability equations

    International Nuclear Information System (INIS)

    Bartolotti, L.J.

    1987-01-01

    A single equation is derived for the determination of the first-order correction to the frequency-dependent density, due to the perturbation of a time-varying electric field. This new expression for the first-order correction to the frequency-dependent Kohn-Sham amplitudes depends explicitly upon the velocity form of the dipole-moment operator and the square of the Kohn-Sham Hamiltonian

  19. The static response function in Kohn-Sham theory: An appropriate basis for its matrix representation in case of finite AO basis sets

    International Nuclear Information System (INIS)

    Kollmar, Christian; Neese, Frank

    2014-01-01

    The role of the static Kohn-Sham (KS) response function describing the response of the electron density to a change of the local KS potential is discussed in both the theory of the optimized effective potential (OEP) and the so-called inverse Kohn-Sham problem involving the task to find the local KS potential for a given electron density. In a general discussion of the integral equation to be solved in both cases, it is argued that a unique solution of this equation can be found even in case of finite atomic orbital basis sets. It is shown how a matrix representation of the response function can be obtained if the exchange-correlation potential is expanded in terms of a Schmidt-orthogonalized basis comprising orbitals products of occupied and virtual orbitals. The viability of this approach in both OEP theory and the inverse KS problem is illustrated by numerical examples

  20. Analysis of the interaction between human RITA and Drosophila Suppressor of Hairless.

    Science.gov (United States)

    Brockmann, Birgit; Mastel, Helena; Oswald, Franz; Maier, Dieter

    2014-12-01

    Notch signalling mediates intercellular communication, which is effected by the transcription factor CSL, an acronym for vertebrate CBF1/RBP-J, Drosophila Suppressor of Hairless [Su(H)] and C. elegans Lag1. Nuclear import of CBF1/RBP-J depends on co-activators and co-repressors, whereas the export relies on RITA. RITA is a tubulin and CBF1/RBP-J binding protein acting as a negative regulator of Notch signalling in vertebrates. RITA protein is highly conserved in eumatazoa, but no Drosophila homologue was yet identified. In this work, the activity of human RITA in the fly was addressed. To this end, we generated transgenic flies that allow a tissue specific induction of human RITA, which was demonstrated by Western blotting and in fly tissues. Unexpectedly, overexpression of RITA during fly development had little phenotypic consequences, even when overexpressed simultaneously with either Su(H) or the Notch antagonist Hairless. We demonstrate the in vivo binding of human RITA to Su(H) and to tubulin by co-immune precipitation. Moreover, RITA and tubulin co-localized to some degree in several Drosophila tissues. Overall our data show that human RITA, albeit binding to Drosophila Su(H) and tubulin, cannot influence the Notch signalling pathway in the fly, suggesting that a nuclear export mechanism of Su(H), if existent in Drosophila, does not depend on RITA. © 2015 The Authors.

  1. Surface ultrastructure of the gill filaments and the secondary lamellae of the catfish, Rita rita, and the carp, Cirrhinus mrigala.

    Science.gov (United States)

    Kumari, Usha; Mittal, Swati; Mittal, Ajay Kumar

    2012-04-01

    Surface ultrastructures of gill filaments and secondary lamellae of Rita rita and Cirrhinus mrigala, inhabiting different ecological habitat, were investigated to unravel adaptive modifications. R. rita is a sluggish, bottom dwelling carnivorous catfish, which inhabits regions of river with accumulations of dirty water. It retains its viability for long time if taken out of water. C. mrigala is an active bottom dwelling Indian major carp, which lives in relatively clean water and dies shortly after taken out of water. In R. rita, gill septa between gill filaments are reduced. Microridges on epithelial cells covering gill filaments are often continuous and arranged concentrically. Secondary lamellae are extensive. The epithelium appears corrugated, show irregular elevations and shallow depressions, and microridges on epithelial cells appear fragmented. In C. mrigala, in contrast, the gill septa are extensive. Microridges on epithelial cells covering gill filaments are fragmented. Secondary lamellae are less extensive. The epithelium appears smooth and microridges on epithelial cells are relatively inconspicuous. These differences have been considered adaptive modification in relation to habit and ecological niches inhabited by two fish species. Presence of mucous goblet cells on gill filaments is discussed in relation to their functions including precipitation of the sediments and preventing clogging of gill filaments. Infrequent mucous goblet cells in the epithelium of secondary lamellae in two fish species are considered an adaptation, minimizing thickness of the epithelium to reduce barrier between blood and water for favoring gasses exchange with increased efficiency. Copyright © 2011 Wiley-Liss, Inc.

  2. Serous goblet cells: the protein secreting cells in the oral cavity of a catfish, Rita rita (Hamilton, 1822) (Bagridae, Siluriformes).

    Science.gov (United States)

    Yashpal, Madhu; Mittal, Ajay Kumar

    2014-02-01

    Serous goblet cells in the oral epithelium of Rita rita are characterized by the presence of distinct eosinophilic granules occupying large parts of the cytoplasm. In R. rita, a range of histochemical results reveal that these cells are involved in proteinaceous secretions, and thus likely contribute to various functions analogous to those of mammalian saliva. The secretions of these cells have also been associated with specific functions and are discussed in relation to their physiological importance with special reference to their roles in lubrication, alteration in viscosity, various functions of mucus such as handling, maneuvering and driving of food items toward the esophagus, maintaining taste sensitivity and protection of the oral epithelium. In addition, the serous goblet cells may also be considered as the primary defensive cell of the oral epithelium of R. rita. The results significantly add to very limited set of literature on the serous goblet cells and provide noteworthy information on the mucous secretions in the oral cavity of fish. Copyright © 2013 Elsevier Ltd. All rights reserved.

  3. Open-system Kohn-Sham density functional theory.

    Science.gov (United States)

    Zhou, Yongxi; Ernzerhof, Matthias

    2012-03-07

    A simple model for electron transport through molecules is provided by the source-sink potential (SSP) method [F. Goyer, M. Ernzerhof, and M. Zhuang, J. Chem. Phys. 126, 144104 (2007)]. In SSP, the boundary conditions of having an incoming and outgoing electron current are enforced through complex potentials that are added to the Hamiltonian. Depending on the sign of the imaginary part of the potentials, current density is generated or absorbed. In this way, a finite system can be used to model infinite molecular electronic devices. The SSP has originally been developed for the Hückel method and subsequently it has been extended [F. Goyer and M. Ernzerhof, J. Chem. Phys. 134, 174101 (2011)] to the Hubbard model. Here we present a step towards its generalization for first-principles electronic structure theory methods. In particular, drawing on our earlier work, we discuss a new generalized density functional theory for complex non-Hermitian Hamiltonians. This theory enables us to combine SSP and Kohn-Sham theory to obtain a method for the description of open systems that exchange current density with their environment. Similarly, the Hartree-Fock method is extended to the realm of non-Hermitian, SSP containing Hamiltonians. As a proof of principle, we present the first applications of complex-density functional theory (CODFT) as well as non-Hermitian Hartree-Fock theory to electron transport through molecules. © 2012 American Institute of Physics

  4. Bioassays for TSH Receptor Autoantibodies, from FRTL-5 Cells to TSH Receptor-LH/CG Receptor Chimeras: The Contribution of Leonard D. Kohn.

    Science.gov (United States)

    Giuliani, Cesidio; Saji, Motoyasu; Bucci, Ines; Napolitano, Giorgio

    2016-01-01

    Since the discovery 60 years ago of the "long-acting thyroid stimulator" by Adams and Purves, great progress has been made in the detection of thyroid-stimulating hormone (TSH) receptor (TSHR) autoantibodies (TRAbs) in Graves' disease. Today, commercial assays are available that can detect TRAbs with high accuracy and provide diagnostic and prognostic evaluation of patients with Graves' disease. The present review focuses on the development of TRAbs bioassays, and particularly on the role that Leonard D. Kohn had in this. Indeed, 30 years ago, the Kohn group developed a bioassay based on the use of FRTL-5 cells that was characterized by high reproducibility, feasibility, and diagnostic accuracy. Using this FRTL-5 bioassay, Kohn and his colleagues were the first to develop monoclonal antibodies (moAbs) against the TSHR. Furthermore, they demonstrated the multifaceted functional nature of TRAbs in patients with Graves' disease, with the identification of stimulating and blocking TRAbs, and even antibodies that activated pathways other than cAMP. After the cloning of the TSHR, the Kohn laboratory constructed human TSHR-rat luteinizing hormone/chorionic gonadotropin receptor chimeras. This paved the way to a new bioassay based on the use of non-thyroid cells transfected with the Mc4 chimera. The new Mc4 bioassay is characterized by high diagnostic and prognostic accuracy, greater than for other assays. The availability of a commercial kit based on the Mc4 chimera is spreading the use of this assay worldwide, indicating its benefits for these patients with Graves' disease. This review also describes the main contributions made by other researchers in TSHR molecular biology and TRAbs assay, especially with the development of highly potent moAbs. A comparison of the diagnostic accuracies of the main TRAbs assays, as both immunoassays and bioassays, is also provided.

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

    Science.gov (United States)

    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.

  6. Combined VLF and VHF lightning observations of Hurricane Rita landfall

    Science.gov (United States)

    Henderson, B. G.; Suszcynsky, D. M.; Wiens, K. C.; Hamlin, T.; Jeffery, C. A.; Orville, R. E.

    2009-12-01

    Hurricane Rita displayed abundant lightning in its northern eyewall as it made landfall at 0740 UTC 24 Sep 2005 near the Texas/Louisiana border. For this work, we combined VHF and VLF lightning data from Hurricane Rita, along with radar observations from Gulf Coast WSR-88D stations, for the purpose of demonstrating the combined utility of these two spectral regions for hurricane lightning monitoring. Lightning is a direct consequence of the electrification and breakdown processes that take place during the convective stages of thunderstorm development. As Rita approached the Gulf coast, the VHF lightning emissions were distinctly periodic with a period of 1.5 to 2 hours, which is consistent with the rotational period of hurricanes. VLF lightning emissions, measured by LASA and NLDN, were present in some of these VHF bursts but not all of them. At landfall, there was a significant increase in lightning emissions, accompanied by a significant convective surge observed in radar. Furthermore, VLF and VHF lightning source heights clearly increase as a function of time. The evolution of the IC/CG ratio is consistent with that seen in thunderstorms, showing a dominance of IC activity during storm development, followed by an increase in CG activity at the storm’s peak. The periodic VHF lightning events are correlated with increases in convective growth (quantified by the volume of radar echo >40 dB) above 7 km altitude. VLF can discriminate between lightning types, and in the LASA data, Rita landfall lightning activity was dominated by Narrow Bi-polar Events (NBEs)—high-energy, high-altitude, compact intra-cloud discharges. The opportunity to locate NBE lightning sources in altitude may be particularly useful in quantifying the vertical extent (strength) of the convective development and in possibly deducing vertical charge distributions.

  7. Lightning and radar observations of hurricane Rita landfall

    Energy Technology Data Exchange (ETDEWEB)

    Henderson, Bradley G [Los Alamos National Laboratory; Suszcynsky, David M [Los Alamos National Laboratory; Hamlin, Timothy E [Los Alamos National Laboratory; Jeffery, C A [Los Alamos National Laboratory; Wiens, Kyle C [TEXAS TECH U.; Orville, R E [TEXAS A& M

    2009-01-01

    Los Alamos National Laboratory (LANL) owns and operates an array of Very-Low Frequency (VLF) sensors that measure the Radio-Frequency (RF) waveforms emitted by Cloud-to-Ground (CG) and InCloud (IC) lightning. This array, the Los Alamos Sferic Array (LASA), has approximately 15 sensors concentrated in the Great Plains and Florida, which detect electric field changes in a bandwidth from 200 Hz to 500 kHz (Smith et al., 2002). Recently, LANL has begun development of a new dual-band RF sensor array that includes the Very-High Frequency (VHF) band as well as the VLF. Whereas VLF lightning emissions can be used to deduce physical parameters such as lightning type and peak current, VHF emissions can be used to perform precise 3d mapping of individual radiation sources, which can number in the thousands for a typical CG flash. These new dual-band sensors will be used to monitor lightning activity in hurricanes in an effort to better predict intensification cycles. Although the new LANL dual-band array is not yet operational, we have begun initial work utilizing both VLF and VHF lightning data to monitor hurricane evolution. In this paper, we present the temporal evolution of Rita's landfall using VLF and VHF lightning data, and also WSR-88D radar. At landfall, Rita's northern eyewall experienced strong updrafts and significant lightning activity that appear to mark a transition between oceanic hurricane dynamics and continental thunderstorm dynamics. In section 2, we give a brief overview of Hurricane Rita, including its development as a hurricane and its lightning history. In the following section, we present WSR-88D data of Rita's landfall, including reflectivity images and temporal variation. In section 4, we present both VHF and VLF lightning data, overplotted on radar reflectivity images. Finally, we discuss our observations, including a comparison to previous studies and a brief conclusion.

  8. Physical interpretation and evaluation of the Kohn-Sham and Dyson components of the epsilon-I relations between the Kohn-Sham orbital energies and the ionization potentials

    NARCIS (Netherlands)

    Gritsenko, O.V.; Braida, B.; Baerends, E.J.

    2003-01-01

    Theoretical and numerical insight was gained into the relations between the Kohn-Sham orbital energies and relaxed vertical ionization potentials. A connection was made between the Kohn-Sham and Dyson one-electron theories. It was established that the energies of the occupied KS orbitals are

  9. On the physical nature and chemical utility of Kohn-Sham orbitals

    International Nuclear Information System (INIS)

    Baerends, E.J.

    1996-01-01

    Density functional calculations almost invariably use the one-electron Kohn-Sham orbitals to calculate the electron density. It is sometimes stated that these KS orbitals have no special physical meaning, but are constructs, arising in the KS formulation of DFT, that are only useful to obtain the density. We will argue that on the contrary the KS orbitals are often very similar to the molecular orbitals that arise in the Hartree-Fock model. When they differ the Kohn-Sham orbitals have certain advantageous properties and correspond in fact more closely to the orbitals used explicitly or implicitly in qualitative MO theory. The arguments of QMO theory, with their emphasis on bonding and antibonding nature of MOs, do hold perfectly for KS orbitals. The reason that Kohn-Sham orbitals are meaningful objects is related to the fact that the effective one-electron Kohn-Sham potential embodies the effects of electron correlation. It has recently become possible to calculate accurate Kohn-Sham potentials from accurate electron densities. This offers the possibility to study the structure of KS potentials (steps, peaks) and to relate this structure to electron correlation. More importantly, given exact Kohn-Sham potentials and orbitals it is possible to construct an exchange-correlation energy density that will, after integration over space, yield the exact exchange-correlation energy. It is possible to relate the local features of the exact energy density to aspects of electron correlation. The exact energy density may be used to judge existing model exchange-correlation energy densities and hopefully it will be helpful to devise improvements

  10. Configurational forces in electronic structure calculations using Kohn-Sham density functional theory

    Science.gov (United States)

    Motamarri, Phani; Gavini, Vikram

    2018-04-01

    We derive the expressions for configurational forces in Kohn-Sham density functional theory, which correspond to the generalized variational force computed as the derivative of the Kohn-Sham energy functional with respect to the position of a material point x . These configurational forces that result from the inner variations of the Kohn-Sham energy functional provide a unified framework to compute atomic forces as well as stress tensor for geometry optimization. Importantly, owing to the variational nature of the formulation, these configurational forces inherently account for the Pulay corrections. The formulation presented in this work treats both pseudopotential and all-electron calculations in a single framework, and employs a local variational real-space formulation of Kohn-Sham density functional theory (DFT) expressed in terms of the nonorthogonal wave functions that is amenable to reduced-order scaling techniques. We demonstrate the accuracy and performance of the proposed configurational force approach on benchmark all-electron and pseudopotential calculations conducted using higher-order finite-element discretization. To this end, we examine the rates of convergence of the finite-element discretization in the computed forces and stresses for various materials systems, and, further, verify the accuracy from finite differencing the energy. Wherever applicable, we also compare the forces and stresses with those obtained from Kohn-Sham DFT calculations employing plane-wave basis (pseudopotential calculations) and Gaussian basis (all-electron calculations). Finally, we verify the accuracy of the forces on large materials systems involving a metallic aluminum nanocluster containing 666 atoms and an alkane chain containing 902 atoms, where the Kohn-Sham electronic ground state is computed using a reduced-order scaling subspace projection technique [P. Motamarri and V. Gavini, Phys. Rev. B 90, 115127 (2014), 10.1103/PhysRevB.90.115127].

  11. 75 FR 7467 - Gary E. Hall and Rita C. Hall; Notice of Application Accepted for Filing With the Commision...

    Science.gov (United States)

    2010-02-19

    ... Rita C. Hall; Notice of Application Accepted for Filing With the Commision, Soliciting Motions To.... Project No.: 13652-000. c. Date filed: January 11, 2010. d. Applicant: Gary E. Hall and Rita C. Hall. e... Policies Act of 1978, 16 U.S.C. 2705, 2708. h. Applicant Contact: Mr. Gary E. Hall and Ms. Rita C. Hall, P...

  12. RITA plus 3-MA overcomes chemoresistance of head and neck cancer cells via dual inhibition of autophagy and antioxidant systems

    Directory of Open Access Journals (Sweden)

    Daiha Shin

    2017-10-01

    Condensed abstract: This study revealed a novel RITA resistant mechanism associated with the sustained induction of autophagy, p62 overexpression, and Keap1-Nrf2 antioxidant system activation. The combined treatment of RITA with the autophagy inhibitor 3-methyladenine overcomes RITA resistance via dual inhibition of autophagy and antioxidant systems in vitro and in vivo.

  13. Statistical electron angular correlation coefficients for atoms within the Hohenberg-Kohn-Sham theory

    International Nuclear Information System (INIS)

    Pathak, R.K.

    1985-01-01

    Statistical electron angular correlation coefficients tau = 2 2 He through 14 Si, within the Hohenberg-Kohn-Sham density-functional formalism. These are computed with use of the spectral sum rules obtained from the pseudoexcitation spectrum employing the recent formulation of the time-dependent Kohn-Sham theory due to Bartolotti. Various approximations to the exchange-correlation energy functional are used and for first-row atoms, a comparison is made with the highly accurate correlation coefficients recently obtained by Thakkar. The present tau values show closer agreement with those of Thakkar with increasing number of electrons

  14. The p53-reactivating small molecule RITA induces senescence in head and neck cancer cells.

    Directory of Open Access Journals (Sweden)

    Hui-Ching Chuang

    Full Text Available TP53 is the most commonly mutated gene in head and neck cancer (HNSCC, with mutations being associated with resistance to conventional therapy. Restoring normal p53 function has previously been investigated via the use of RITA (reactivation of p53 and induction of tumor cell apoptosis, a small molecule that induces a conformational change in p53, leading to activation of its downstream targets. In the current study we found that RITA indeed exerts significant effects in HNSCC cells. However, in this model, we found that a significant outcome of RITA treatment was accelerated senescence. RITA-induced senescence in a variety of p53 backgrounds, including p53 null cells. Also, inhibition of p53 expression did not appear to significantly inhibit RITA-induced senescence. Thus, this phenomenon appears to be partially p53-independent. Additionally, RITA-induced senescence appears to be partially mediated by activation of the DNA damage response and SIRT1 (Silent information regulator T1 inhibition, with a synergistic effect seen by combining either ionizing radiation or SIRT1 inhibition with RITA treatment. These data point toward a novel mechanism of RITA function as well as hint to its possible therapeutic benefit in HNSCC.

  15. How Schools Responded to Student Mental Health Needs Following Hurricanes Katrina and Rita. Fact Sheet

    Science.gov (United States)

    RAND Corporation, 2007

    2007-01-01

    This fact sheet summarizes a study that examined how schools in the U.S. Gulf Coast region perceived the mental health needs of students after Hurricanes Katrina and Rita and how schools responded. According to the report, despite strong initial efforts to support the mental health needs of students displaced by Hurricanes Katrina and Rita, many…

  16. The p53-reactivating small molecule RITA induces senescence in head and neck cancer cells.

    Science.gov (United States)

    Chuang, Hui-Ching; Yang, Liang Peng; Fitzgerald, Alison L; Osman, Abdullah; Woo, Sang Hyeok; Myers, Jeffrey N; Skinner, Heath D

    2014-01-01

    TP53 is the most commonly mutated gene in head and neck cancer (HNSCC), with mutations being associated with resistance to conventional therapy. Restoring normal p53 function has previously been investigated via the use of RITA (reactivation of p53 and induction of tumor cell apoptosis), a small molecule that induces a conformational change in p53, leading to activation of its downstream targets. In the current study we found that RITA indeed exerts significant effects in HNSCC cells. However, in this model, we found that a significant outcome of RITA treatment was accelerated senescence. RITA-induced senescence in a variety of p53 backgrounds, including p53 null cells. Also, inhibition of p53 expression did not appear to significantly inhibit RITA-induced senescence. Thus, this phenomenon appears to be partially p53-independent. Additionally, RITA-induced senescence appears to be partially mediated by activation of the DNA damage response and SIRT1 (Silent information regulator T1) inhibition, with a synergistic effect seen by combining either ionizing radiation or SIRT1 inhibition with RITA treatment. These data point toward a novel mechanism of RITA function as well as hint to its possible therapeutic benefit in HNSCC.

  17. Te Rita Papesch: Case Study of an Exemplary Learner of Maori as an Additional Language

    Science.gov (United States)

    Ratima, Matiu Tai; Papesch, Te Rita

    2014-01-01

    This paper presents a case study of the life experiences of one exemplar adult second language Maori learner--Te Rita Papesch. Te Rita was one of 17 participants who were interviewed as a part of the first author's PhD study which sought to answer the question: what factors lead to the development of proficiency in te reo Maori amongst adult…

  18. 75 FR 14442 - Federal Travel Regulation (FTR); Relocation Allowances-Relocation Income Tax Allowance (RITA) Tables

    Science.gov (United States)

    2010-03-25

    ... GENERAL SERVICES ADMINISTRATION [GSA Bulletin FTR 10-04] Federal Travel Regulation (FTR); Relocation Allowances-- Relocation Income Tax Allowance (RITA) Tables AGENCY: Office of Governmentwide Policy... (73 FR 35952) specifying that GSA would no longer publish the RITA tables found in 41 CFR Part 301-17...

  19. RITA displays anti-tumor activity in medulloblastomas independent of TP53 status.

    Science.gov (United States)

    Gottlieb, Aline; Althoff, Kristina; Grunewald, Laura; Thor, Theresa; Odersky, Andrea; Schulte, Marc; Deubzer, Hedwig E; Heukamp, Lukas; Eggert, Angelika; Schramm, Alexander; Schulte, Johannes H; Künkele, Annette

    2017-04-25

    Current therapy of medulloblastoma, the most common malignant brain tumor of childhood, achieves 40-70% survival. Secondary chemotherapy resistance contributes to treatment failure, where TP53 pathway dysfunction plays a key role. MDM2 interaction with TP53 leads to its degradation. Reactivating TP53 functionality using small-molecule inhibitors, such as RITA, to disrupt TP53-MDM2 binding may have therapeutic potential. We show here that RITA decreased viability of all 4 analyzed medulloblastoma cell lines, regardless of TP53 functional status. The decrease in cell viability was accompanied in 3 of the 4 medulloblastoma cell lines by accumulation of TP53 protein in the cells and increased CDKN1A expression. RITA treatment in mouse models inhibited medulloblastoma xenograft tumor growth. These data demonstrate that RITA treatment reduces medulloblastoma cell viability in both in vitro and in vivo models, and acts independently of cellular TP53 status, identifying RITA as a potential therapeutic agent to treat medulloblastoma.

  20. Conversacion sobre "Tres tristes tigres". Una entrevista de Rita Guibert (A Conversation about "Three Sad Tigers". An Interview with Rita Guibert)

    Science.gov (United States)

    Cabrera Infante, Guillermo

    1971-01-01

    Interview took place in London, England, on October 5, 1970 between Cuban writer Guillermo Cabrera Infante and journalist Rita Guibert. Special issue dedicated to contemporary Spanish American literature. (DS)

  1. Time-dependent density functional theory beyond Kohn-Sham Slater determinants.

    Science.gov (United States)

    Fuks, Johanna I; Nielsen, Søren E B; Ruggenthaler, Michael; Maitra, Neepa T

    2016-08-03

    When running time-dependent density functional theory (TDDFT) calculations for real-time simulations of non-equilibrium dynamics, the user has a choice of initial Kohn-Sham state, and typically a Slater determinant is used. We explore the impact of this choice on the exchange-correlation potential when the physical system begins in a 50 : 50 superposition of the ground and first-excited state of the system. We investigate the possibility of judiciously choosing a Kohn-Sham initial state that minimizes errors when adiabatic functionals are used. We find that if the Kohn-Sham state is chosen to have a configuration matching the one that dominates the interacting state, this can be achieved for a finite time duration for some but not all such choices. When the Kohn-Sham system does not begin in a Slater determinant, we further argue that the conventional splitting of the exchange-correlation potential into exchange and correlation parts has limited value, and instead propose a decomposition into a "single-particle" contribution that we denote v, and a remainder. The single-particle contribution can be readily computed as an explicit orbital-functional, reduces to exchange in the Slater determinant case, and offers an alternative to the adiabatic approximation as a starting point for TDDFT approximations.

  2. Sex and Class Differences in Parent-Child Interaction: A Test of Kohn's Hypothesis

    Science.gov (United States)

    Gecas, Viktor; Nye, F. Ivan

    1974-01-01

    This paper focuses on Melvin Kohn's suggestive hypothesis that white-collar parents stress the development of internal standards of conduct in their children while blue-collar parents are more likely to react on the basis of the consequences of the child's behavior. This hypothesis was supported. (Author)

  3. Singular elliptic systems involving concave terms and critical Caffarelli-Kohn-Nirenberg exponents

    Directory of Open Access Journals (Sweden)

    Mohammed E. O. El Mokhtar

    2012-03-01

    Full Text Available In this article, we establish the existence of at least four solutions to a singular system with a concave term, a critical Caffarelli-Kohn-Nirenberg exponent, and sign-changing weight functions. Our main tools are the Nehari manifold and the mountain pass theorem.

  4. A weighted anisotropic variant of the Caffarelli-Kohn-Nirenberg inequality and applications

    Science.gov (United States)

    Bahrouni, Anouar; Rădulescu, Vicenţiu D.; Repovš, Dušan D.

    2018-04-01

    We present a weighted version of the Caffarelli-Kohn-Nirenberg inequality in the framework of variable exponents. The combination of this inequality with a variant of the fountain theorem, yields the existence of infinitely many solutions for a class of non-homogeneous problems with Dirichlet boundary condition.

  5. Why Students Lose When "Tougher Standards" Win: A Conversation with Alfie Kohn.

    Science.gov (United States)

    O'Neil, John; Tell, Carol

    1999-01-01

    Kohn believes the "tougher standards" movement is incompatible with personalized learning, excellence, and marginalized kids' interests. Horizontal standards that shift how teaching and learning happen in classrooms are terrific, but vertical standards using traditional pedagogy are macho and mindless. Kids need freedom to design their…

  6. The Effects of Occupational Conditions upon the Division of Household Labor: An Application of Kohn's Theory.

    Science.gov (United States)

    Seccombe, Karen

    1986-01-01

    Tested Kohn's theory that people who work in highly supervised, routinized occupations are likely to value obedience and conformity in marital and parental relationships. Findings from 244 couples revealed that working conditions were not strong predictors of division of household labor. Concludes that nontraditional gender role values,…

  7. Paradoxical Pathways: An Ethnographic Extension of Kohn's Findings on Class and Childrearing

    Science.gov (United States)

    Weininger, Elliot B.; Lareau, Annette

    2009-01-01

    Stratification is a central issue in family research, yet relatively few studies highlight its impact on family processes. Drawing on in-depth interviews (N = 137) and observational data (N = 12), we extend Melvin Kohn's research on childrearing values by examining how parental commitments to self-direction and conformity are enacted in daily…

  8. Kohn's theorem in a superfluid Fermi gas with a Feshbach resonance

    International Nuclear Information System (INIS)

    Ohashi, Y.

    2004-01-01

    We investigate the dipole mode in a superfluid gas of Fermi atoms trapped in a harmonic potential. According to Kohn's theorem, the frequency of this collective mode is not affected by an interaction between the atoms and is always equal to the trap frequency. This remarkable property, however, does not necessarily hold in an approximate theory. We explicitly prove that the Hartree-Fock-Bogoliubov generalized random phase approximation (HFB-GRPA), including a coupling between fluctuations in the density and Cooper channels, is consistent with both Kohn's theorem as well as Goldstone's theorem. This proof can be immediately extended to the strong-coupling superfluid theory developed by Nozieres and Schmitt-Rink (NSR), where the effect of superfluid fluctuations is included within the Gaussian level. As a result, the NSR-GRPA formalism can be used to study collective modes in the BCS-BEC crossover region in a manner which is consistent with Kohn's theorem. We also include the effect of a Feshbach resonance and a condensate of the associated molecular bound states. A detailed discussion is given of the unusual nature of the Kohn mode eigenfunctions in a Fermi superfluid, in the presence and absence of a Feshbach resonance. When the molecular bosons feel a different trap frequency from the Fermi atoms, the dipole frequency is shown to depend on the strength of effective interaction associated with the Feshbach resonance

  9. Shelf sediment transport during hurricanes Katrina and Rita

    Science.gov (United States)

    Xu, Kehui; Mickey, Rangley C.; Chen, Qin; Harris, Courtney K.; Hetland, Robert D.; Hu, Kelin; Wang, Jiaze

    2016-05-01

    Hurricanes can greatly modify the sedimentary record, but our coastal scientific community has rather limited capability to predict hurricane-induced sediment deposition. A three-dimensional sediment transport model was developed in the Regional Ocean Modeling System (ROMS) to study seabed erosion and deposition on the Louisiana shelf in response to Hurricanes Katrina and Rita in the year 2005. Sensitivity tests were performed on both erosional and depositional processes for a wide range of erosional rates and settling velocities, and uncertainty analysis was done on critical shear stresses using the polynomial chaos approximation method. A total of 22 model runs were performed in sensitivity and uncertainty tests. Estimated maximum erosional depths were sensitive to the inputs, but horizontal erosional patterns seemed to be controlled mainly by hurricane tracks, wave-current combined shear stresses, seabed grain sizes, and shelf bathymetry. During the passage of two hurricanes, local resuspension and deposition dominated the sediment transport mechanisms. Hurricane Katrina followed a shelf-perpendicular track before making landfall and its energy dissipated rapidly within about 48 h along the eastern Louisiana coast. In contrast, Hurricane Rita followed a more shelf-oblique track and disturbed the seabed extensively during its 84-h passage from the Alabama-Mississippi border to the Louisiana-Texas border. Conditions to either side of Hurricane Rita's storm track differed substantially, with the region to the east having stronger winds, taller waves and thus deeper erosions. This study indicated that major hurricanes can disturb the shelf at centimeter to meter levels. Each of these two hurricanes suspended seabed sediment mass that far exceeded the annual sediment inputs from the Mississippi and Atchafalaya Rivers, but the net transport from shelves to estuaries is yet to be determined. Future studies should focus on the modeling of sediment exchange between

  10. The calculation of the contributions to low energy e+H2 scattering from sigma u+ and pion u symmetries using the Kohn variational method

    International Nuclear Information System (INIS)

    Armour, E.A.G.; Baker, D.J.; Plummer, M.

    1990-01-01

    Above incident energies of about 2 eV, the contribution to the total cross section in positron+H2 scattering from the sigma g+ symmetry is insufficient to account for the experimental value. Calculations carried out of the lowest partial waves of sigma u+ symmetry and Pion u symmetry using the Kohn variational method are described. The contributions to the total cross section from the two equivalent partial waves of Pion u symmetry significantly reduce the discrepancy with experiment up to incident energies of 4 to 5 eV. Comparisons are made with recent R-matrix calculations performed by Danby and Tennyson

  11. The calculation of the contributions to low energy e+H2 scattering from sigma u+ and Pion u symmetries using the Kohn variational method

    Science.gov (United States)

    Armour, E. A. G.; Baker, D. J.; Plummer, M.

    1990-01-01

    Above incident energies of about 2 eV, the contribution to the total cross section in positron+H2 scattering from the sigma g+ symmetry is insufficient to account for the experimental value. Calculations carried out of the lowest partial waves of sigma u+ symmetry and Pion u symmetry using the Kohn variational method are described. The contributions to the total cross section from the two equivalent partial waves of Pion u symmetry significantly reduce the discrepancy with experiment up to incident energies of 4 to 5 eV. Comparisons are made with recent R-matrix calculations performed by Danby and Tennyson.

  12. Novel Approaches to Spectral Properties of Correlated Electron Materials: From Generalized Kohn-Sham Theory to Screened Exchange Dynamical Mean Field Theory

    Science.gov (United States)

    Delange, Pascal; Backes, Steffen; van Roekeghem, Ambroise; Pourovskii, Leonid; Jiang, Hong; Biermann, Silke

    2018-04-01

    The most intriguing properties of emergent materials are typically consequences of highly correlated quantum states of their electronic degrees of freedom. Describing those materials from first principles remains a challenge for modern condensed matter theory. Here, we review, apply and discuss novel approaches to spectral properties of correlated electron materials, assessing current day predictive capabilities of electronic structure calculations. In particular, we focus on the recent Screened Exchange Dynamical Mean-Field Theory scheme and its relation to generalized Kohn-Sham Theory. These concepts are illustrated on the transition metal pnictide BaCo2As2 and elemental zinc and cadmium.

  13. Prognostic impact of RITA expression in patients with anal squamous cell carcinoma treated with chemoradiotherapy.

    Science.gov (United States)

    Rödel, Franz; Steinhäuser, Kerstin; Kreis, Nina-Naomi; Friemel, Alexandra; Martin, Daniel; Wieland, Ulrike; Rave-Fränk, Margret; Balermpas, Panagiotis; Fokas, Emmanouil; Louwen, Frank; Rödel, Claus; Yuan, Juping

    2018-02-01

    RBP-J interacting and tubulin-associated protein (RITA) has been identified as a negative regulator of the Notch signalling pathway and its deregulation is involved in the pathogenesis of several tumour entities. RITA's impact on the response of anal squamous cell carcinoma (SCC) to anticancer treatment, however, remains elusive. In our retrospective study immunohistochemical evaluation of RITA was performed on 140 pre-treatment specimens and was correlated with clinical and histopathologic characteristics and clinical endpoints cumulative incidence of local control (LC), distant recurrence (DC), disease-free survival (DFS) and overall survival (OS). We observed significant inverse correlations between RITA expression and tumour grading, the levels of HPV-16 virus DNA load, CD8 (+) tumour infiltrating lymphocytes and programmed death protein (PD-1) immunostaining. In univariate analyses, elevated levels of RITA expression were predictive for decreased local control (p = 0.001), decreased distant control (p = 0.040), decreased disease free survival (p = 0.001) and overall survival (p RITA expression remained significant for decreased local control (p = 0.009), disease free survival (p = 0.032) and overall survival (p = 0.012). These data indicate that elevated levels of pretreatment RITA expression are correlated with unfavourable clinical outcome in anal carcinoma treated with concomitant chemoradiotherapy. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Local-scaling transformations and the direct determination of Kohn--Sham orbitals and potentials for beryllium

    International Nuclear Information System (INIS)

    Ludena, E.V.; Maldonado, J.; Lopez-Boada, R.; Koga, T.; Kryachko, E.S.

    1995-01-01

    Local-scaling transformations are used in the present work to obtain accurate Kohn--Sham 1s and 2s orbitals for the beryllium atom by means of a density-constrained variation of the single-determinant kinetic energy functional. An analytic representation of these Kohn--Sham orbitals is given and the quality of the different types of orbitals generated is discussed with particular reference to their kinetic energy and momenta mean values. In addition, we determine the effective Kohn--Sham potential and analyze it in terms of its exchange-only and correlation contributions

  15. Time-dependent internal density functional theory formalism and Kohn-Sham scheme for self-bound systems

    International Nuclear Information System (INIS)

    Messud, Jeremie

    2009-01-01

    The stationary internal density functional theory (DFT) formalism and Kohn-Sham scheme are generalized to the time-dependent case. It is proven that, in the time-dependent case, the internal properties of a self-bound system (such as an atomic nuclei or a helium droplet) are all defined by the internal one-body density and the initial state. A time-dependent internal Kohn-Sham scheme is set up as a practical way to compute the internal density. The main difference from the traditional DFT formalism and Kohn-Sham scheme is the inclusion of the center-of-mass correlations in the functional.

  16. [RITA combined with temozolomide inhibits the proliferation of human glioblastoma U87 cells].

    Science.gov (United States)

    He, Xiao-Yan; Feng, Xiao-Li; Song, Xin-Pei; Zeng, Huan-Chao; Cao, Zhong-Xu; Xiao, Wei-Wei; Zhang, Bao; Wu, Qing-Hua

    2016-10-20

    To observe the effect of RITA, a small molecule that targets p53, combined with temozolomide (TMZ) on proliferation, colony formation and apoptosis of human glioblastoma U87 cells and explore the underlying mechanism. Cultured U87 cells were treated with RITA (1, 5, 10, 20 µmol/L), TMZ, or RITA+TMZ (half dose) for 24, 48 or 72 h. MTS assay were used to detect the cell proliferation, and the cell proliferation rate and inhibitory rate were calculated. The effect of combined treatments was evaluated by the q value. The expressions of p53, p21 and other apoptosis-associated genes were detected by qRT-PCR and Western blotting; cell apoptosis was assayed using flow cytometry with Annexin V/PI double staining; colony formation of the cells was detected with crystal violet staining. MTS assay showed that RITA at the 4 doses more potently inhibited U87 cell viability than TMZ at 72 h (P=0.000) with inhibitory rates of 25.94%-41.38% and 3.84%-8.20%, respectively. RITA combined with TMZ caused a more significant inhibition of U87 cells (29.21%-52.11%) than RITA (PRITA+TMZ for 48 h resulted in q values exceeding 1.2 and showed an obvious synergistic effect of the drugs. Both RITA and TMZ, especially the latter, significantly increased the expressions of p53, p21, puma, and other apoptosis-associated genes to accelerate apoptosis and inhibit the growth and colony formation of U87 cells, and the effect was more obvious with a combined treatment. RITA inhibits the growth of human glioblastoma cells and enhance their sensitivity to TMZ by up-regulating p53 expression, and when combined, RITA and TMZ show a synergistic effect to cause a stronger cell inhibition.

  17. Integration& Operation of a Microgrid at Santa Rita Jail

    Energy Technology Data Exchange (ETDEWEB)

    Chevron Energy Solutions; Alameda County; DeForest, Nicholas; Lai, Judy; Stadler, Michael; Mendes, Goncalo; Marnay, Chris; Donadee, Jon

    2011-05-01

    Santa Rita Jail is a 4,500 inmate facility located in Dublin CA, approximately 40 miles (65 km) east of San Francisco. Over the past decade, a series of Distributed Energy Resources (DER) installations and efficiency measures have been undertaken to transform the 3MW facility into a"Green Jail". These include a 1.2MW rated rooftop PV system installed in 2002, a 1MW molten carbonate fuel cell with CHP, and retrofits to lighting and HVAC systems to reduce peak loads. With the upcoming installation of a large-scale battery and fast static disconnect switch, Santa Rita Jail will become a true microgrid, with full CERTS Microgrid functionality. Consequently, the jail will be able to seamlessly disconnect from the grid and operate as an island in the event of a disturbance, reconnecting again once the disturbance has dissipated. The extent to which that jail is capable of islanding is principally dependant on the energy capacity of the battery-one focus of this investigation. Also presented here are overviews of the DER currently installed at the jail, as well as the value it provides by offsetting the purchase of electricity under the current Pacific Gas& Electric (PG&E) tariff.

  18. Land Area Change and Fractional Water Maps in the Chenier Plain, Louisiana, following Hurricane Rita (2005)

    Science.gov (United States)

    Palaseanu-Lovejoy, Monica; Kranenburg, Christine J.; Brock, John C.

    2010-01-01

    In this study, we estimated the changes in land and water coverage of a 1,961-square-kilometer (km2) area in Louisiana's Chenier Plain. The study area is roughly centered on the Sabine National Wildlife Refuge, which was impacted by Hurricane Rita on September 24, 2005. The objective of this study is twofold: (1) to provide pre- and post-Hurricane Rita moderate-resolution (30-meter (m)) fractional water maps based upon multiple source images, and (2) to quantify land and water coverage changes due to Hurricane Rita.

  19. Positional stabilization of communications satellites - The RITA ion propulsion system is ready for commercial use

    Science.gov (United States)

    The radiofrequency ion thruster assembly (RITA) intended for service aboard the new Artemis communications satellite will operate for three hours twice a day, in order to furnish orbital position adjustments that keep antennas accurately pointed toward the earth. These engines are, despite such frequent and sustained use, projected to eject no more than 30 kG of Xe over the course of a decade. RITA operation is also extremely reliable and, due to its very low propellant consumption, is the basis of a long satellite service life. RITA will be among the 15 experiments that are to be performed by ESA's Eureca research satellite.

  20. Reflection on Lessons Learned: An Analysis of the Adverse Outcomes Observed During the Hurricane Rita Evacuation.

    Science.gov (United States)

    Baker, Karen

    2018-02-01

    In September 2005, nearly 3.7 million people evacuated the Texas coastline in advance of Hurricane Rita's landfall, making the event the largest emergency evacuation in US history. The Rita evacuation underscored the importance of planning for domestic mass-evacuation events, as the evacuation itself led to over 100 of the at least 119 deaths attributed to the storm. In the days preceding Rita's landfall, several cascading, interrelated circumstances precipitated such adverse outcomes. This article explores the series of events leading up to the evacuation's poor outcomes, the response following Rita to amend evacuation plans, and how Texas successfully implemented these changes during later storms to achieve better outcomes. (Disaster Med Public Health Preparedness. 2018;12:115-120).

  1. Structure of the optimized effective Kohn-Sham exchange potential and its gradient approximations

    International Nuclear Information System (INIS)

    Gritsenko, O.; Van Leeuwen, R.; Baerends, E.J.

    1996-01-01

    An analysis of the structure of the optimized effective Kohn-Sham exchange potential v, and its gradient approximations is presented. The potential is decomposed into the Slater potential v s and the response of v s to density variations, v resp . The latter exhibits peaks that reflect the atomic shell structure. Kohn-Sham exchange potentials derived from current gradient approaches for the exchange energy are shown to be quite reasonable for the Slater potential, but they fail to approximate the response part, which leads to poor overall potentials. Improved potentials are constructed by a direct fit of v x with a gradient-dependent Pade approximant form. The potentials obtained possess proper asymptotic and scaling properties and reproduce the shell structure of the exact v x . 44 refs., 7 figs., 4 tabs

  2. Anomalous singularities in the complex Kohn variational principle of quantum scattering theory

    International Nuclear Information System (INIS)

    Lucchese, R.R.

    1989-01-01

    Variational principles for symmetric complex scattering matrices (e.g., the S matrix or the T matrix) based on the Kohn variational principle have been thought to be free from anomalous singularities. We demonstrate that singularities do exist for these variational principles by considering single and multichannel model problems based on exponential interaction potentials. The singularities are found by considering simultaneous variations in two nonlinear parameters in the variational calculation (e.g., the energy and the cutoff function for the irregular continuum functions). The singularities are found when the cutoff function for the irregular continuum functions extends over a range of the radial coordinate where the square-integrable basis set does not have sufficient flexibility. Effects of these singularities generally should not appear in applications of the complex Kohn method where a fixed variational basis set is considered and only the energy is varied

  3. Influence of Kohn singularity on the occurrence scattering time in degenerate quantum collisional plasmas

    Science.gov (United States)

    Lee, Myoung-Jae; Jung, Young-Dae

    2017-10-01

    The influence of Kohn singularity on the occurrence scattering time for the electron-ion interaction is investigated in degenerate quantum collisional plasmas. The first-order eikonal analysis is used to obtain the scattering amplitude and the occurrence scattering time. The result shows that the Friedel oscillation due to the Kohn singularity suppresses the advance phenomena of occurrence scattering time in both forward and backward scattering domains. It is shown that the increase of plasmon energy would reduce the time advance for both forward and backward scattering domains. However, the increase of Fermi energy would enhance the phenomena of time advance. It is also found that the time advance with high collision frequency is larger than that with low collision frequency for the forward scattering domain and vice versa for the backward scattering domain. We have shown that the time advance is stronger in general for the forward scattering domain than that for the backward scattering domain.

  4. Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh

    International Nuclear Information System (INIS)

    Zhang Dier; Shen Lihua; Zhou Aihui; Gong Xingao

    2008-01-01

    A finite element (FE) method with self-adaptive mesh-refinement technique is developed for solving the density functional Kohn-Sham equations. The FE method adopts local piecewise polynomials basis functions, which produces sparsely structured matrices of Hamiltonian. The method is well suitable for parallel implementation without using Fourier transform. In addition, the self-adaptive mesh-refinement technique can control the computational accuracy and efficiency with optimal mesh density in different regions

  5. A spectral scheme for Kohn-Sham density functional theory of clusters

    Science.gov (United States)

    Banerjee, Amartya S.; Elliott, Ryan S.; James, Richard D.

    2015-04-01

    Starting from the observation that one of the most successful methods for solving the Kohn-Sham equations for periodic systems - the plane-wave method - is a spectral method based on eigenfunction expansion, we formulate a spectral method designed towards solving the Kohn-Sham equations for clusters. This allows for efficient calculation of the electronic structure of clusters (and molecules) with high accuracy and systematic convergence properties without the need for any artificial periodicity. The basis functions in this method form a complete orthonormal set and are expressible in terms of spherical harmonics and spherical Bessel functions. Computation of the occupied eigenstates of the discretized Kohn-Sham Hamiltonian is carried out using a combination of preconditioned block eigensolvers and Chebyshev polynomial filter accelerated subspace iterations. Several algorithmic and computational aspects of the method, including computation of the electrostatics terms and parallelization are discussed. We have implemented these methods and algorithms into an efficient and reliable package called ClusterES (Cluster Electronic Structure). A variety of benchmark calculations employing local and non-local pseudopotentials are carried out using our package and the results are compared to the literature. Convergence properties of the basis set are discussed through numerical examples. Computations involving large systems that contain thousands of electrons are demonstrated to highlight the efficacy of our methodology. The use of our method to study clusters with arbitrary point group symmetries is briefly discussed.

  6. Kohn anomalies in momentum dependence of magnetic susceptibility of some three-dimensional systems

    Science.gov (United States)

    Stepanenko, A. A.; Volkova, D. O.; Igoshev, P. A.; Katanin, A. A.

    2017-11-01

    We study a question of the presence of Kohn points, yielding at low temperatures nonanalytic momentum dependence of magnetic susceptibility near its maximum, in electronic spectra of some threedimensional systems. In particular, we consider a one-band model on face-centered cubic lattice with hopping between the nearest and next-nearest neighbors, which models some aspects of the dispersion of ZrZn2, and the two-band model on body-centered cubic lattice, modeling the dispersion of chromium. For the former model, it is shown that Kohn points yielding maxima of susceptibility exist in a certain (sufficiently wide) region of electronic concentrations; the dependence of the wave vectors, corresponding to the maxima, on the chemical potential is investigated. For the two-band model, we show the existence of the lines of Kohn points, yielding maximum susceptibility, whose position agrees with the results of band structure calculations and experimental data on the wave vector of antiferromagnetism of chromium.

  7. ELSI: A unified software interface for Kohn-Sham electronic structure solvers

    Science.gov (United States)

    Yu, Victor Wen-zhe; Corsetti, Fabiano; García, Alberto; Huhn, William P.; Jacquelin, Mathias; Jia, Weile; Lange, Björn; Lin, Lin; Lu, Jianfeng; Mi, Wenhui; Seifitokaldani, Ali; Vázquez-Mayagoitia, Álvaro; Yang, Chao; Yang, Haizhao; Blum, Volker

    2018-01-01

    Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This problem must be addressed by essentially all current electronic structure codes, based on similar matrix expressions, and by high-performance computation. We here present a unified software interface, ELSI, to access different strategies that address the Kohn-Sham eigenvalue problem. Currently supported algorithms include the dense generalized eigensolver library ELPA, the orbital minimization method implemented in libOMM, and the pole expansion and selected inversion (PEXSI) approach with lower computational complexity for semilocal density functionals. The ELSI interface aims to simplify the implementation and optimal use of the different strategies, by offering (a) a unified software framework designed for the electronic structure solvers in Kohn-Sham density-functional theory; (b) reasonable default parameters for a chosen solver; (c) automatic conversion between input and internal working matrix formats, and in the future (d) recommendation of the optimal solver depending on the specific problem. Comparative benchmarks are shown for system sizes up to 11,520 atoms (172,800 basis functions) on distributed memory supercomputing architectures.

  8. Emergence of an Out-of-Plane Optical Phonon (ZO) Kohn Anomaly in Quasifreestanding Epitaxial Graphene.

    Science.gov (United States)

    Politano, Antonio; de Juan, Fernando; Chiarello, Gennaro; Fertig, Herbert A

    2015-08-14

    In neutral graphene, two prominent cusps known as Kohn anomalies are found in the phonon dispersion of the highest optical phonon at q=Γ (LO branch) and q=K (TO branch), reflecting a significant electron-phonon coupling (EPC) to undoped Dirac electrons. In this work, high-resolution electron energy loss spectroscopy is used to measure the phonon dispersion around the Γ point in quasifreestanding graphene epitaxially grown on Pt(111). The Kohn anomaly for the LO phonon is observed at finite momentum q~2k_{F} from Γ, with a shape in excellent agreement with the theory and consistent with known values of the EPC and the Fermi level. More strikingly, we also observe a Kohn anomaly at the same momentum for the out-of-plane optical phonon (ZO) branch. This observation is the first direct evidence of the coupling of the ZO mode with Dirac electrons, which is forbidden for freestanding graphene but becomes allowed in the presence of a substrate. Moreover, we estimate the EPC to be even greater than that of the LO mode, making graphene on Pt(111) an optimal system to explore the effects of this new coupling in the electronic properties.

  9. Phonon dispersion and Kohn anomalies in the alloy Cu8.84Al0.16

    International Nuclear Information System (INIS)

    Chou, H.; Shapiro, S.M.; Moss, S.C.; Mostoller, M.

    1990-01-01

    The authors have made detailed measurements of phonon frequencies along all high-symmetry directions on a large single crystal of Cu 0.84 Al 0.16 at room temperature. Phonon frequencies were ascertained to better than ±0.03 meV. Inter-atomic force constants and vibrational density of states were calculated by performing a Born-von Karman analysis on the complete set of phonon dispersion curves. In contrast to the case of pure Cu, no evident Kohn anomaly (neither in the phonon dispersion itself nor in the derivatives) was observed near the expected wave vector q = 2k F . The absence of Kohn anomalies in the present system could be due either to a smeared out Fermi surface or to the possibility that the electron-electron interaction which screens the inter-ionic potential is not the dominant interaction in the system: i.e., the existence of Kohn anomalies in these alloys may depend mainly on the details of the electron-phonon interaction

  10. Mold exposure and health effects following hurricanes Katrina and Rita.

    Science.gov (United States)

    Barbeau, Deborah N; Grimsley, L Faye; White, LuAnn E; El-Dahr, Jane M; Lichtveld, Maureen

    2010-01-01

    The extensive flooding in the aftermath of Hurricanes Katrina and Rita created conditions ideal for indoor mold growth, raising concerns about the possible adverse health effects associated with indoor mold exposure. Studies evaluating the levels of indoor and outdoor molds in the months following the hurricanes found high levels of mold growth. Homes with greater flood damage, especially those with >3 feet of indoor flooding, demonstrated higher levels of mold growth compared with homes with little or no flooding. Water intrusion due to roof damage was also associated with mold growth. However, no increase in the occurrence of adverse health outcomes has been observed in published reports to date. This article considers reasons why studies of mold exposure after the hurricane do not show a greater health impact.

  11. Transformative experiences for Hurricanes Katrina and Rita disaster volunteers.

    Science.gov (United States)

    Clukey, Lory

    2010-07-01

    The massive destruction caused by Hurricanes Katrina and Rita in 2005 provided an opportunity for many volunteers to be involved with disaster relief work. Exposure to devastation and personal trauma can have long-lasting and sometimes detrimental effects on people providing help. This qualitative study explored the experience of volunteer relief workers who provided disaster relief services after the hurricanes. Three major themes emerged: emotional reactions that included feelings of shock, fatigue, anger and grief as well as sleep disturbances; frustration with leadership; and life-changing personal transformation. Stress reactions were noted but appeared to be mitigated by feelings of compassion for the victims and personal satisfaction in being able to provide assistance. Suggestions are provided for further research.

  12. Stratigraphy of the Charqueadas Carboniferous basin, Santa Rita, RS, Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Mendes Piccoli, A.E.; Holz, M.; Munaro, P.

    1985-01-01

    Sedimentological analyses of about 80 drill cores from the Charqueadas - Santa Rita Coal Field, west of Porto Alegre, Rio Grande do Sul State, were made. The Itarare Group is characterized by pelites of lacustrine origin and conglomerates and sandstones of alluvial fans, mainly in the north western region. A shallow lacustrine and paludal system characterize the Rio Bonito Formation, comprising coal seams and associated pelitic sediments, as well as some paraconglomerates and sandstone layers. The contact between these units is established by the colour of the pelites, differences in sedimentary textures, structures and palynological data. A marine transgression caused the sediments of the Rio Bonito Formation to be covered by coastal sandstones and pelites of the Palermo Formation, of tidal flat origin. Today, the coal layers and sediments have been eroded southward and slope gently to the north of the area.

  13. Katrina and Rita were lit up with lightning

    Science.gov (United States)

    Shao, X.-M.; Harlin, J.; Stock, M.; Stanley, M.; Regan, A.; Wiens, K.; Hamlin, T.; Pongratz, M.; Suszcynsky, D.; Light, T.

    Hurricanes generally produce very little lightning activity compared to other noncyclonic storms, and lightning is especially sparse in the eye wall and inner regions within tens of kilometers surrounding the eye [Molinari et al., 1994, 1999]. (The eye wall is the wall of clouds that encircles the eye of the hurricane.) Lightning can sometimes be detected in the outer, spiral rainbands, but the lightning occurrence rate varies significantly from hurricane to hurricane as well as within an individual hurricane's lifetime.Hurricanes Katrina and Rita hit the U.S. Gulf coasts of Louisiana, Mississippi, and Texas, and their distinctions were not just limited to their tremendous intensity and damage caused. They also differed from typical hurricanes in their lightning production rate.

  14. RITA, a novel modulator of Notch signalling, acts via nuclear export of RBP-J.

    Science.gov (United States)

    Wacker, Stephan Armin; Alvarado, Cristobal; von Wichert, Götz; Knippschild, Uwe; Wiedenmann, Jörg; Clauss, Karen; Nienhaus, Gerd Ulrich; Hameister, Horst; Baumann, Bernd; Borggrefe, Tilman; Knöchel, Walter; Oswald, Franz

    2011-01-05

    The evolutionarily conserved Notch signal transduction pathway regulates fundamental cellular processes during embryonic development and in the adult. Ligand binding induces presenilin-dependent cleavage of the receptor and a subsequent nuclear translocation of the Notch intracellular domain (NICD). In the nucleus, NICD binds to the recombination signal sequence-binding protein J (RBP-J)/CBF-1 transcription factor to induce expression of Notch target genes. Here, we report the identification and functional characterization of RBP-J interacting and tubulin associated (RITA) (C12ORF52) as a novel RBP-J/CBF-1-interacting protein. RITA is a highly conserved 36 kDa protein that, most interestingly, binds to tubulin in the cytoplasm and shuttles rapidly between cytoplasm and nucleus. This shuttling RITA exports RBP-J/CBF-1 from the nucleus. Functionally, we show that RITA can reverse a Notch-induced loss of primary neurogenesis in Xenopus laevis. Furthermore, RITA is able to downregulate Notch-mediated transcription. Thus, we propose that RITA acts as a negative modulator of the Notch signalling pathway, controlling the level of nuclear RBP-J/CBF-1, where its amounts are limiting.

  15. IGF-1R/MDM2 relationship confers enhanced sensitivity to RITA in Ewing sarcoma cells.

    Science.gov (United States)

    Di Conza, Giusy; Buttarelli, Marianna; Monti, Olimpia; Pellegrino, Marsha; Mancini, Francesca; Pontecorvi, Alfredo; Scotlandi, Katia; Moretti, Fabiola

    2012-06-01

    Ewing sarcoma is one of the most frequent bone cancers in adolescence. Although multidisciplinary therapy has improved the survival rate for localized tumors, a critical step is the development of new drugs to improve the long-term outcome of recurrent and metastatic disease and to reduce side effects of conventional therapy. Here, we show that the small molecule reactivation of p53 and induction of tumor cell apoptosis (RITA, NSC652287) is highly effective in reducing growth and tumorigenic potential of Ewing sarcoma cell lines. These effects occur both in the presence of wt-p53 as well as of mutant or truncated forms of p53, or in its absence, suggesting the presence of additional targets in this tumor histotype. Further experiments provided evidence that RITA modulates an important oncogenic mark of these cell lines, insulin-like growth factor receptor 1 (IGF-1R). Particularly, RITA causes downregulation of IGF-1R protein levels. MDM2 degradative activity is involved in this phenomenon. Indeed, inhibition of MDM2 function by genetic or pharmacologic approaches reduces RITA sensitivity of Ewing sarcoma cell lines. Overall, these data suggest that in the cell context of Ewing sarcoma, RITA may adopt additional mechanism of action besides targeting p53, expanding its field of application. Noteworthy, these results envisage the promising utilization of RITA or its derivative as a potential treatment for Ewing sarcomas. ©2012 AACR

  16. Rescue of the apoptotic-inducing function of mutant p53 by small molecule RITA.

    Science.gov (United States)

    Zhao, Carolyn Y; Grinkevich, Vera V; Nikulenkov, Fedor; Bao, Wenjie; Selivanova, Galina

    2010-05-01

    Expression of mutant p53 correlates with poor prognosis in many tumors, therefore strategies aimed at reactivation of mutant p53 are likely to provide important benefits for treatment of tumors that are resistant to chemotherapy and radiotherapy. We have previously identified and characterized a small molecule RITA which binds p53 and induces a conformational change which prevents the binding of p53 to several inhibitors, including its own destructor MDM2. In this way, RITA rescues the tumor suppression function of wild type p53. Here, we demonstrate that RITA suppressed the growth and induced apoptosis in human tumor cell lines of a diverse origin carrying mutant p53 proteins. RITA restored transcriptional transactivation and transrepression function of several hot spot p53 mutants. The ability of RITA to rescue the activity of different p53 mutants suggests its generic mechanism of action. Thus, RITA is a promising lead for the development of anti-cancer drugs that reactivate the tumor suppressor function of p53 in cancer cells irrespective whether they express mutant or wild type p53.

  17. A new perspective on autism: Rita Leal School

    Directory of Open Access Journals (Sweden)

    Rodrigues T. F.

    2016-12-01

    Full Text Available Guided by the principle that scientific knowledge should serve to transform reality and create suitable conditions of life for all, the Portuguese Association for Relational-Historical Psychology (APPRH founded a school named RITA LEAL (RLS, with a therapeutic purpose based on new perspectives for treating autism — perspectives quite different from instrumental and behavioral learning programs. The Rita Leal School (Leal, 1975/2004, 1997, 2005, 2010 is rooted in the theory that mental development is based on a mutually contingent emotional relationship, while it underwrites Vygotsky’s concept of the Zone of Proximal Development (ZPD and Mediation (1930/2004, 1934/2009. Learning to read is a complex process which individuals with Autism Spectrum Disorder (ASD master slowly and with difficulty. We analyzed the process of learning to read of two ASD children accompanied by peers without special educational needs, aiming to pinpoint distinct aspects of their progress. We used the Observer Software Program to collect and analyze observations of their performance, which were understood as data to be classified according to previously specified codes. We believed we could demonstrate that, especially in the case of ASD children, learning is dependent on contingent responses and adequate levels of mediation. The technical team at the RLS has continuous clinical supervision. That is because we believe this supervision is what permits the team to undergo a process of de-centering, becoming more empathic and accessible to the autists. This makes the team’s intervention more efficient, because it becomes more aware of each autist’s individual characteristics, and therefore more available to respond to the autist’s needs.

  18. Impact of hurricanes katrina and rita on the anesthesiology workforce.

    Science.gov (United States)

    Hutson, Larry R; Vega, Jorge; Schubert, Armin

    2011-01-01

    Hurricanes Katrina and Rita impacted a large portion of the medical community in Louisiana. We attempt to determine their impact on the anesthesiology workforce in Louisiana. In May 2006, a survey was mailed to 368 Louisiana anesthesiologists, collecting demographic data, retirement plans, impact of Hurricanes Katrina and Rita, position vacancies, practice conditions, and the general state of healthcare in their area. All 3 anesthesiology residency programs in the state were contacted regarding their recent graduates. The 2010 RAND survey of the anesthesiology workforce was reviewed with respect to findings relevant to the state and region. One hundred seventy surveys were returned, yielding a 46.2% response rate. Among the respondents, 13.9% intended to retire within 5 years and another 24% in 5 to 10 years. Since 2005, 63.9% had seen an increase in their daily caseload, 46.9% saw an increase in work hours, and 36.8% stated that their practices were trying to hire new anesthesiologists and were having difficulty filling these positions. Since 2005, the number of anesthesiology residents in Louisiana had declined by almost 50%, and the number of graduates remaining to practice in Louisiana had decreased by 43% from 7 to 4 annually. Our 2006 survey provided qualitative evidence for a shortage of anesthesiologists in the state of Louisiana after the natural disasters in 2005 that was likely to worsen as residency output plummeted, fewer residents stayed in the state, and projected retirement increased. The regional data from the RAND survey a year later confirmed the impressions from our survey, with an estimate of an anesthesiologist shortage as high as 39% of the workforce. State membership surveys may serve as accurate barometers in the wake of major environmental upheavals affecting regional anesthesiology workforce conditions.

  19. Accurate Valence Ionization Energies from Kohn-Sham Eigenvalues with the Help of Potential Adjustors.

    Science.gov (United States)

    Thierbach, Adrian; Neiss, Christian; Gallandi, Lukas; Marom, Noa; Körzdörfer, Thomas; Görling, Andreas

    2017-10-10

    An accurate yet computationally very efficient and formally well justified approach to calculate molecular ionization potentials is presented and tested. The first as well as higher ionization potentials are obtained as the negatives of the Kohn-Sham eigenvalues of the neutral molecule after adjusting the eigenvalues by a recently [ Görling Phys. Rev. B 2015 , 91 , 245120 ] introduced potential adjustor for exchange-correlation potentials. Technically the method is very simple. Besides a Kohn-Sham calculation of the neutral molecule, only a second Kohn-Sham calculation of the cation is required. The eigenvalue spectrum of the neutral molecule is shifted such that the negative of the eigenvalue of the highest occupied molecular orbital equals the energy difference of the total electronic energies of the cation minus the neutral molecule. For the first ionization potential this simply amounts to a ΔSCF calculation. Then, the higher ionization potentials are obtained as the negatives of the correspondingly shifted Kohn-Sham eigenvalues. Importantly, this shift of the Kohn-Sham eigenvalue spectrum is not just ad hoc. In fact, it is formally necessary for the physically correct energetic adjustment of the eigenvalue spectrum as it results from ensemble density-functional theory. An analogous approach for electron affinities is equally well obtained and justified. To illustrate the practical benefits of the approach, we calculate the valence ionization energies of test sets of small- and medium-sized molecules and photoelectron spectra of medium-sized electron acceptor molecules using a typical semilocal (PBE) and two typical global hybrid functionals (B3LYP and PBE0). The potential adjusted B3LYP and PBE0 eigenvalues yield valence ionization potentials that are in very good agreement with experimental values, reaching an accuracy that is as good as the best G 0 W 0 methods, however, at much lower computational costs. The potential adjusted PBE eigenvalues result in

  20. RITA plus 3-MA overcomes chemoresistance of head and neck cancer cells via dual inhibition of autophagy and antioxidant systems.

    Science.gov (United States)

    Shin, Daiha; Kim, Eun Hye; Lee, Jaewang; Roh, Jong-Lyel

    2017-10-01

    Reactivation of p53 and induction of tumor cell apoptosis (RITA) is a small molecule that blocks p53-MDM2 interaction, thereby reactivating p53 in tumors. RITA can induce exclusive apoptosis in cancer cells independently of the p53 pathway; however, the resistance of cancer cells remains a major drawback. Here, we found a novel resistance mechanism of RITA treatment and an effective combined treatment to overcome RITA resistance in head and neck cancer (HNC) cells. The effects of RITA and 3-methyladenine (3-MA) were tested in different HNC cell lines, including cisplatin-resistant and acquired RITA-resistant HNC cells. The effects of each drug alone and in combination were assessed by measuring cell viability, apoptosis, cell cycle, glutathione, reactive oxygen species, protein expression, genetic inhibition of p62 and Nrf2, and a mouse xenograft model of cisplatin-resistant HNC. RITA induced apoptosis of HNC cells at different levels without significantly inhibiting normal cell viability. Following RITA treatment, RITA-resistant HNC cells exhibited a sustained expression of other autophagy-related proteins, overexpressed p62, and displayed activation of the Keap1-Nrf2 antioxidant pathway. The autophagy inhibitor 3-MA sensitized resistant HNC cells to RITA treatment via the dual inhibition of molecules related to the autophagy and antioxidant systems. Silencing of the p62 gene augmented the combined effects. The effective antitumor activity of RITA plus 3-MA was also confirmed in vivo in mouse xenograft models transplanted with resistant HNC cells, showing increased oxidative stress and DNA damage. The results indicate that RITA plus 3-MA can help overcome RITA resistance in HNC cells. This study revealed a novel RITA resistant mechanism associated with the sustained induction of autophagy, p62 overexpression, and Keap1-Nrf2 antioxidant system activation. The combined treatment of RITA with the autophagy inhibitor 3-methyladenine overcomes RITA resistance via dual

  1. Ritacestus gen. n. (Cestoda: Proteocephalidea) and redescription of R. ritaii comb. n., a parasite of Rita rita (Siluriformes) in India.

    Science.gov (United States)

    de Chambrier, Alain; Scholz, Tomás; Ash, Anirban; Kar, Pradip Kumar

    2011-11-01

    A new genus, Ritacestus, is proposed to accommodate Ritacestus ritaii (Verma, 1926) comb. n. (syn. Proteocephalus ritaii), a parasite of the catfish Rita rita (Hamilton) in India. The new genus, which is placed in the Gangesiinae, is characterized by (i) a small, subspherical scolex formed by four large lobes separated from one another by longitudinal grooves, with a large, widely oval to pyriform rostellum-like apical organ, larger than suckers and possessing an apical hemispherical depression; (ii) paramuscular and cortical position of some vitelline follicles (most follicles are situated medullary); (iii) ventral and dorsal bands of vitelline follicles usually uninterrupted ventral to terminal genitalia and reaching to the posterior margin of proglottides; (iv) the vagina always anterior to the cirrus-sac; (v) a large size of the body (length up to 51 cm); and (vi) development of the uterus of type 2. In its morphology, especially shape of the scolex and apical organ, and paramuscular and cortical position of some vitelline follicles, Ritacestus resembles Postgangesia Akhmerov, 1969, but differs in the presence of a genital atrium (both genital pores of Postgangesia are separate), the anterior position of the vagina (almost always posterior in the latter genus), position of vitelline follicles in cross sections (dorsal and ventral bands in Ritacestus versus only a lateral band in the latter genus), and dorsal excretory canals indistinguishable in mature and gravid proglottides of R. ritaii (well developed in Postgangesia spp.). The type and only species of the genus, R. ritaii, is redescribed on the basis of new material from the type host from the Ganges River basin in India and its neotype is designated.

  2. Human radiation studies: Remembering the early years: Oral history of radiologist Henry I. Kohn, M.D., Ph.D., conducted September 13, 1994

    International Nuclear Information System (INIS)

    1995-06-01

    This report is a transcript of an interview of Dr. Henry I. Kohn by representatives of the US DOE Office of Human Radiation Experiments. Dr. Kohn was selected for this interview because of the positions he held at Oak Ridge National Laboratory, University of California at San Francisco, and Harvard Medical School. Dr. Kohn discussed his remembrances of his experiences in blood chemistry of animals and patients exposed to radiation, and his remembrances of several radiobiologists

  3. Nonlinear realizations, the orbit method and Kohn's theorem

    OpenAIRE

    Andrzejewski, K.; Gonera, J.; Kosinski, P.

    2012-01-01

    The orbit method is used to describe the centre of mass motion of the system of particles with fixed charge to mass ratio moving in homogeneous magnetic field and confined by harmonic potential. The nonlinear action of symmetry group on phase space is identified and compared with the one obtained with the help of Eisenhart lift.

  4. A Green Prison: Santa Rita Jail Creeps Towards Zero Net Energy (ZNE)

    Energy Technology Data Exchange (ETDEWEB)

    Marnay, Chris; DeForest, Nicholas; Stadler, Michael; Donadee, Jon; Dierckxsens, Carlos; Mendes, Goncalo; Lai, Judy; Cardoso, Goncalo Ferreira

    2011-03-18

    A large project is underway at Alameda County's twenty-year old 45 ha 4,000-inmate Santa Rita Jail, about 70 km east of San Francisco. Often described as a green prison, it has a considerable installed base of distributed energy resources including a seven-year old 1.2 MW PV array, a four-year old 1 MW fuel cell with heat recovery, and efficiency investments. A current US$14 M expansion will add approximately 2 MW of NaS batteries, and undetermined wind capacity and a concentrating solar thermal system. This ongoing effort by a progressive local government with considerable Federal and State support provides some excellent lessons for the struggle to lower building carbon footprint. The Distributed Energy Resources Customer Adoption Model (DER-CAM) finds true optimal combinations of equipment and operating schedules for microgrids that minimize energy bills and/or carbon emissions without 2 of 12 significant searching or rules-of-thumb prioritization, such as"efficiency first then on-site generation." The results often recommend complex systems, and sensitivities show how policy changes will affect choices. This paper reports an analysis of the historic performance of the PV system and fuel cell, describes the complex optimization applied to the battery scheduling, and shows how results will affect the jail's operational costs, energy consumption, and carbon footprint. DER-CAM is used to assess the existing and proposed DER equipment in its ability to reduce tariff charges.

  5. Hazardous substances releases associated with Hurricanes Katrina and Rita in industrial settings, Louisiana and Texas.

    Science.gov (United States)

    Ruckart, Perri Zeitz; Orr, Maureen F; Lanier, Kenneth; Koehler, Allison

    2008-11-15

    The scientific literature concerning the public health response to the unprecedented hurricanes striking the Gulf Coast in August and September 2005 has focused mainly on assessing health-related needs and surveillance of injuries, infectious diseases, and other illnesses. However, the hurricanes also resulted in unintended hazardous substances releases in the affected states. Data from two states (Louisiana and Texas) participating in the Hazardous Substances Emergency Events Surveillance (HSEES) system were analyzed to describe the characteristics of hazardous substances releases in industrial settings associated with Hurricanes Katrina and Rita. HSEES is an active multi-state Web-based surveillance system maintained by the Agency for Toxic Substances and Disease Registry (ATSDR). In 2005, 166 hurricane-related hazardous substances events in industrial settings in Louisiana and Texas were reported. Most (72.3%) releases were due to emergency shut downs in preparation for the hurricanes and start-ups after the hurricanes. Emphasis is given to the contributing causal factors, hazardous substances released, and event scenarios. Recommendations are made to prevent or minimize acute releases of hazardous substances during future hurricanes, including installing backup power generation, securing equipment and piping to withstand high winds, establishing procedures to shutdown process operations safely, following established and up-to-date start-up procedures and checklists, and carefully performing pre-start-up safety reviews.

  6. The Multiple Life of Nerve Growth Factor: Tribute to Rita Levi-Montalcini (1909-2012

    Directory of Open Access Journals (Sweden)

    Luigi Aloe

    2013-03-01

    Full Text Available At the end of the 19th century, it was envisaged by Santiago Ramon y Cajal, but not, proven, that life at the neuronal level requires trophic support. The proof was obtained in the early 1950's by work initiated by Rita Levi-Montalcini (RLM discovering the nerve growth factor (NGF. Today, NGF and its relatives, collectively designated neurotrophins, are well recognized as mediators of multiple biological phenomena in health and disease, ranging from the neurotrophic through immunotrophic and epitheliotrophic to metabotrophic effects. Consequently, NGF and other neurotrophins are implicated in the pathogenesis of a large spectrum of neuronal and non-neuronal diseases, from Alzheimer's and other neurodegenerative diseases to atherosclerosis and other cardiometabolic diseases. Recent studies demonstrated the therapeutic potentials of NGF in these diseases, including ocular and cutaneous diseases. Furthermore, NGF TrkA receptor antagonists emerged as novel drugs for pain, prostate and breast cancer, melanoma, and urinary bladder syndromes. Altogether, NGF's multiple potential in health and disease is briefly described here.

  7. Hazardous substances releases associated with Hurricanes Katrina and Rita in industrial settings, Louisiana and Texas

    International Nuclear Information System (INIS)

    Ruckart, Perri Zeitz; Orr, Maureen F.; Lanier, Kenneth; Koehler, Allison

    2008-01-01

    The scientific literature concerning the public health response to the unprecedented hurricanes striking the Gulf Coast in August and September 2005 has focused mainly on assessing health-related needs and surveillance of injuries, infectious diseases, and other illnesses. However, the hurricanes also resulted in unintended hazardous substances releases in the affected states. Data from two states (Louisiana and Texas) participating in the Hazardous Substances Emergency Events Surveillance (HSEES) system were analyzed to describe the characteristics of hazardous substances releases in industrial settings associated with Hurricanes Katrina and Rita. HSEES is an active multi-state Web-based surveillance system maintained by the Agency for Toxic Substances and Disease Registry (ATSDR). In 2005, 166 hurricane-related hazardous substances events in industrial settings in Louisiana and Texas were reported. Most (72.3%) releases were due to emergency shut downs in preparation for the hurricanes and start-ups after the hurricanes. Emphasis is given to the contributing causal factors, hazardous substances released, and event scenarios. Recommendations are made to prevent or minimize acute releases of hazardous substances during future hurricanes, including installing backup power generation, securing equipment and piping to withstand high winds, establishing procedures to shutdown process operations safely, following established and up-to-date start-up procedures and checklists, and carefully performing pre-start-up safety reviews

  8. Hazardous substances releases associated with Hurricanes Katrina and Rita in industrial settings, Louisiana and Texas

    Energy Technology Data Exchange (ETDEWEB)

    Ruckart, Perri Zeitz [Division of Health Studies, Agency for Toxic Substances and Disease Registry, Atlanta, GA (United States)], E-mail: afp4@cdc.gov; Orr, Maureen F. [Division of Health Studies, Agency for Toxic Substances and Disease Registry, Atlanta, GA (United States); Lanier, Kenneth; Koehler, Allison [Louisiana Department of Health and Hospitals, Office of Public Health, New Orleans, LA (United States)

    2008-11-15

    The scientific literature concerning the public health response to the unprecedented hurricanes striking the Gulf Coast in August and September 2005 has focused mainly on assessing health-related needs and surveillance of injuries, infectious diseases, and other illnesses. However, the hurricanes also resulted in unintended hazardous substances releases in the affected states. Data from two states (Louisiana and Texas) participating in the Hazardous Substances Emergency Events Surveillance (HSEES) system were analyzed to describe the characteristics of hazardous substances releases in industrial settings associated with Hurricanes Katrina and Rita. HSEES is an active multi-state Web-based surveillance system maintained by the Agency for Toxic Substances and Disease Registry (ATSDR). In 2005, 166 hurricane-related hazardous substances events in industrial settings in Louisiana and Texas were reported. Most (72.3%) releases were due to emergency shut downs in preparation for the hurricanes and start-ups after the hurricanes. Emphasis is given to the contributing causal factors, hazardous substances released, and event scenarios. Recommendations are made to prevent or minimize acute releases of hazardous substances during future hurricanes, including installing backup power generation, securing equipment and piping to withstand high winds, establishing procedures to shutdown process operations safely, following established and up-to-date start-up procedures and checklists, and carefully performing pre-start-up safety reviews.

  9. The multiple life of nerve growth factor: tribute to rita levi-montalcini (1909-2012).

    Science.gov (United States)

    Aloe, Luigi; Chaldakov, George N

    2013-03-01

    At the end of the 19(th) century, it was envisaged by Santiago Ramon y Cajal, but not, proven, that life at the neuronal level requires trophic support. The proof was obtained in the early 1950's by work initiated by Rita Levi-Montalcini (RLM) discovering the nerve growth factor (NGF). Today, NGF and its relatives, collectively designated neurotrophins, are well recognized as mediators of multiple biological phenomena in health and disease, ranging from the neurotrophic through immunotrophic and epitheliotrophic to metabotrophic effects. Consequently, NGF and other neurotrophins are implicated in the pathogenesis of a large spectrum of neuronal and non-neuronal diseases, from Alzheimer's and other neurodegenerative diseases to atherosclerosis and other cardiometabolic diseases. Recent studies demonstrated the therapeutic potentials of NGF in these diseases, including ocular and cutaneous diseases. Furthermore, NGF TrkA receptor antagonists emerged as novel drugs for pain, prostate and breast cancer, melanoma, and urinary bladder syndromes. Altogether, NGF's multiple potential in health and disease is briefly described here.

  10. Homage to Rita Levi-Montalcini, the queen of modern neuroscience.

    Science.gov (United States)

    Aloe, Luigi; Chaldakov, George N

    2013-08-01

    The first cell growth factor, nerve growth factor (NGF), was discovered by Rita Levi-Montalcini (RLM) in the early 1950s. Originally identified as neurite outgrowth-stimulating factor, later studies revealed that non-neuronal cells, including immune cells, endothelial cells, cardiomyocytes, pancreatic beta cells, prostate epithelial and adipose tissue cells, were also targets for and/or sources of NGF. Nerve growth factor is well recognised as mediating multiple biological phenomena, ranging from the neurotrophic through immunotrophic and epitheliotrophic to metabotrophic effects. Consequently, NGF and other members of the neurotrophin family are implicated in the pathogenesis of a large spectrum of neuronal and non-neuronal diseases, ranging from Alzheimer's and other neurodegenerative diseases to atherosclerosis and cardiometabolic disorders. Recent studies have demonstrated the therapeutic potentials of NGF in these conditions, including ocular and cutaneous diseases. NGF TrkA receptor antagonists emerged as novel drugs for pain, prostate and breast cancer, melanoma and urinary bladder syndromes. Here, we briefly describe the 'unpredictable' ideogenesis of the discovery of NGF, a eureka in the neuroscience. © 2013 International Federation for Cell Biology.

  11. On extending Kohn-Sham density functionals to systems with fractional number of electrons.

    Science.gov (United States)

    Li, Chen; Lu, Jianfeng; Yang, Weitao

    2017-06-07

    We analyze four ways of formulating the Kohn-Sham (KS) density functionals with a fractional number of electrons, through extending the constrained search space from the Kohn-Sham and the generalized Kohn-Sham (GKS) non-interacting v-representable density domain for integer systems to four different sets of densities for fractional systems. In particular, these density sets are (I) ensemble interacting N-representable densities, (II) ensemble non-interacting N-representable densities, (III) non-interacting densities by the Janak construction, and (IV) non-interacting densities whose composing orbitals satisfy the Aufbau occupation principle. By proving the equivalence of the underlying first order reduced density matrices associated with these densities, we show that sets (I), (II), and (III) are equivalent, and all reduce to the Janak construction. Moreover, for functionals with the ensemble v-representable assumption at the minimizer, (III) reduces to (IV) and thus justifies the previous use of the Aufbau protocol within the (G)KS framework in the study of the ground state of fractional electron systems, as defined in the grand canonical ensemble at zero temperature. By further analyzing the Aufbau solution for different density functional approximations (DFAs) in the (G)KS scheme, we rigorously prove that there can be one and only one fractional occupation for the Hartree Fock functional, while there can be multiple fractional occupations for general DFAs in the presence of degeneracy. This has been confirmed by numerical calculations using the local density approximation as a representative of general DFAs. This work thus clarifies important issues on density functional theory calculations for fractional electron systems.

  12. Dos obras de Kohn-Pedersen-Fox/EE.UU

    Directory of Open Access Journals (Sweden)

    Editorial, Equipo

    1985-12-01

    Full Text Available Two works by Pedersen Fox Associates PC are described in this article. In the first one, the play of volumes and the curved curtain wall façade are the leading part defining the building. At the same time it must be pointed out the decorative use of the different cladding materials and the contrast between the base of the volume and its upper part, of a very different feature from the point of view of the design. The second work takes benefit of the site with symbolic aims as for its façade, the whole being harmonized around a gardened inner court full colored.En la primera de ellas juegan un papel decisivo el cerramiento de muro-cortina y la línea curva de la fachada, elementos ambos que definen el edificio. Asimismo hay que destacar el empleo decorativo de los diferentes materiales de revestimiento y el contraste entre la base del edificio y la parte superior, de muy distinta concepción desde el punto de vista del diseño. La segunda de ellas aprovecha con fines simbólicos el emplazamiento del edificio en cuanto a su fachada principal armonizándolo con una distribución en torno a un patio interior ajardinado, con predominio del color.

  13. 44 CFR 206.209 - Arbitration for Public Assistance determinations related to Hurricanes Katrina and Rita (Major...

    Science.gov (United States)

    2010-10-01

    ... 44 Emergency Management and Assistance 1 2010-10-01 2010-10-01 false Arbitration for Public Assistance determinations related to Hurricanes Katrina and Rita (Major disaster declarations DR-1603, DR... determinations related to Hurricanes Katrina and Rita (Major disaster declarations DR-1603, DR-1604, DR-1605, DR...

  14. Recognizing history in range ecology: 100 years of science and management on the Santa Rita Experimental Range

    Science.gov (United States)

    Nathan F. Sayre

    2003-01-01

    At the centennial of the Santa Rita Experimental Range, historical analysis is called for on two levels. First, as a major site in the history of range ecology, the Santa Rita illuminates past successes and failures in science and management and the ways in which larger social, economic, and political factors have shaped scientific research. Second, with the turn away...

  15. Monitoring Inland Storm Surge and Flooding from Hurricane Rita

    Science.gov (United States)

    McGee, Benton D.; Tollett, Roland W.; Mason, Jr., Robert R.

    2006-01-01

    Pressure transducers (sensors) and high-water marks were used to document the inland water levels related to storm surge generated by Hurricane Rita in southwestern Louisiana and southeastern Texas. On September 22-23, 2005, an experimental monitoring network of sensors was deployed at 33 sites over an area of about 4,000 square miles to record the timing, extent, and magnitude of inland hurricane storm surge and coastal flooding. Sensors were programmed to record date and time, temperature, and barometric or water pressure. Water pressure was corrected for changes in barometric pressure and salinity. Elevation surveys using global-positioning systems and differential levels were used to relate all storm-surge water-level data, reference marks, benchmarks, sensor measuring points, and high-water marks to the North American Vertical Datum of 1988 (NAVD 88). The resulting data indicated that storm-surge water levels over 14 feet above NAVD 88 occurred at three locations, and rates of water-level rise greater than 5 feet per hour occurred at three locations near the Louisiana coast.

  16. Entrevista a María Rita Otero

    Directory of Open Access Journals (Sweden)

    Olga Lucia Castiblanco Abril

    2016-09-01

    Full Text Available OC: Dra. María Rita, bienvenida a esta sección de la revista en donde siempre queremos que nuestros lectores conozcan personas de la vida académica en el campo de la investigación en Enseñeanza de las Ciencias. En primer lugar, nos gustaría que nos contara algo sobre su lugar actual como docente e invstigadora. MRO: Muchas gracias por la invitación. Quisiera contarles que hasta hace dos años fui profesora de secundaria durante 33 años. Actualmente soy profesora titular de la Universidad del Centro de la Provincia de Buenos Aires y soy investigadora principal del Consejo Nacional de Ciencia y tecnología de la República Argentina (Conicet. OC: ¿Cuál es su área de investigación? MRO: Estoy adscrita en el área de psicología y educación. Dentro de esta área trabajo en didáctica de las ciencias. Dirijo un equipo dentro de la universidad que se dedica a esto y a formar profesores de matemáticas, física e informática y también dirijo el doctorado.

  17. Gentlest ascent dynamics for calculating first excited state and exploring energy landscape of Kohn-Sham density functionals.

    Science.gov (United States)

    Li, Chen; Lu, Jianfeng; Yang, Weitao

    2015-12-14

    We develop the gentlest ascent dynamics for Kohn-Sham density functional theory to search for the index-1 saddle points on the energy landscape of the Kohn-Sham density functionals. These stationary solutions correspond to excited states in the ground state functionals. As shown by various examples, the first excited states of many chemical systems are given by these index-1 saddle points. Our novel approach provides an alternative, more robust way to obtain these excited states, compared with the widely used ΔSCF approach. The method can be easily generalized to target higher index saddle points. Our results also reveal the physical interest and relevance of studying the Kohn-Sham energy landscape.

  18. Elimination of Spurious Fractional Charges in Dissociating Molecules by Correcting the Shape of Approximate Kohn-Sham Potentials.

    Science.gov (United States)

    Komsa, Darya N; Staroverov, Viktor N

    2016-11-08

    Standard density-functional approximations often incorrectly predict that heteronuclear diatomic molecules dissociate into fractionally charged atoms. We demonstrate that these spurious charges can be eliminated by adapting the shape-correction method for Kohn-Sham potentials that was originally introduced to improve Rydberg excitation energies [ Phys. Rev. Lett. 2012 , 108 , 253005 ]. Specifically, we show that if a suitably determined fraction of electron charge is added to or removed from a frontier Kohn-Sham orbital level, the approximate Kohn-Sham potential of a stretched molecule self-corrects by developing a semblance of step structure; if this potential is used to obtain the electron density of the neutral molecule, charge delocalization is blocked and spurious fractional charges disappear beyond a certain internuclear distance.

  19. Pharmacobezoars described and demystified.

    Science.gov (United States)

    Simpson, Serge-Emile

    2011-02-01

    A bezoar is a concretion of foreign material that forms and persists in the gastrointestinal tract. Bezoars are classified by their material origins. Phytobezoars contain plant material, trichobezoars contain hair, lactobezoars contain milk proteins, and pharmacobezoars contain pharmaceutical products. Tablets, suspensions, and even insoluble drug delivery vehicles can, on rare occasions, and sometimes under specific circumstances, form pharmacobezoars. The goal of this review is to catalog and examine all of the available reports in the English language medical literature that convincingly describe the formation and management of pharmacobezoars. Articles included in this review were identified by performing searches using the terms "bezoar," "pharmacobezoar," and "concretion" in the following databases: OVID MEDLINE, PubMed, and JSTOR. The complete MEDLINE and JSTOR holdings were included in the search without date ranges. The results were limited to English language publications. Articles that described nonmedication bezoars were not included in the review. Articles describing phytobezoars, food bezoars, fecal impactions, illicit drug packet ingestions, enteral feeding material bezoars, and hygroscopic diet aid bezoars were excluded. The bibliographic references within the articles already accumulated were then examined in order to gather additional pharmacobezoar cases. The cases are grouped by pharmaceutical agent that formed the bezoar, and groupings are arranged in alphabetical order. Discussions and conclusions specific to each pharmaceutical agent are included in that agent's subheading. Patterns and themes that emerged in the review of the assembled case reports are reviewed and presented in a more concise format. Pharmacobezoars form under a wide variety of circumstances and in a wide variety of patients. They are difficult to diagnose reliably. Rules for suspecting, diagnosing, and properly managing a pharmacobezoar are highly dependent on the

  20. [Deep mycoses rarely described].

    Science.gov (United States)

    Charles, D

    1986-01-01

    Beside deep mycoses very well known: histoplasmosis, candidosis, cryptococcosis, there are other mycoses less frequently described. Some of them are endemic in some countries: South American blastomycosis in Brazil, coccidioidomycosis in California; some others are cosmopolitan and may affect everyone: sporotrichosis, or may affect only immunodeficient persons: mucormycosis. They do not spare Africa, we may encounter basidiobolomycosis, rhinophycomycosis, dermatophytosis, sporotrichosis and, more recently reported, rhinosporidiosis. Important therapeutic progresses have been accomplished with amphotericin B and with antifungus imidazole compounds (miconazole and ketoconazole). Surgical intervention is sometime recommended in chromomycosis and rhinosporidiosis.

  1. Status of the RITA - experiment on EURECA. [Radio Frequency Ion Thrustor Assembly

    Energy Technology Data Exchange (ETDEWEB)

    Bassner, H.; Berg, H.P.; Birner, W.; Bartoli, C.; Trippi, A.

    1987-01-01

    The radiofrequency ion thruster assembly (RITA) is currently built as a flight experiment which shall be flown on the European retrievable carrier (Eureca I). This test flight shall verify the operational use of this electric propulsion system in space by demonstration of operation, lifetime and reliability. For this purpose the RITA experiment has been adapted to meet the specific constraints imposed by the Eureca I spacecraft and by the Space Shuttle as the launcher; xenon gas will be used as the propellant and the experiment will be operated automatically by means of a dedicated on-board microcomputer system. According to the delay in launches by the Space Shuttle the launch date has been postponed from March 1988 to 1991/92. Therefore the total Eureca program has been extended, which also influenced the RITA time schedule.

  2. The inclusion of π functions in the treatment of low-energy positron-hydrogen-molecule scattering by a generalisation of the Kohn method

    International Nuclear Information System (INIS)

    Armour, E.A.G.

    1985-01-01

    In the application of a generalisation of the Kohn method to low-energy positron-hydrogen-molecule scattering, up to 31 short-range correlation functions, made up of one-particle functions of σ symmetry, were included in the trial function. In the calculation described in this paper, the flexibility of the trial function is greatly improved by the inclusion of up to 64-short-range correlation functions of which 32 contain products of one-particle functions of π symmetry. The behaviour of the phaseshift values with increasing incident energy is qualitatively similar to the behaviour of the corresponding S-wave phaseshifts in low-energy positron-helium scattering. Comparison with experiment indicates that the results reproduce qualitatively the experimental trend at very low energies but higher partial waves must make a significant contribution to the total cross section above about 0.1 eV. (author)

  3. Linear interpolation method in ensemble Kohn-Sham and range-separated density-functional approximations for excited states

    DEFF Research Database (Denmark)

    Senjean, Bruno; Knecht, Stefan; Jensen, Hans Jørgen Aa

    2015-01-01

    Gross-Oliveira-Kohn density-functional theory (GOK-DFT) for ensembles is, in principle, very attractive but has been hard to use in practice. A practical model based on GOK-DFT for the calculation of electronic excitation energies is discussed. The model relies on two modifications of GOK-DFT: use...... promising results have been obtained for both single (including charge transfer) and double excitations with spin-independent short-range local and semilocal functionals. Even at the Kohn-Sham ensemble DFT level, which is recovered when the range-separation parameter is set to 0, LIM performs better than...

  4. A quadratic form of the Coulomb operator and an optimization scheme for the extended Kohn-Sham models

    International Nuclear Information System (INIS)

    Kusakabe, Koichi

    2009-01-01

    To construct an optimization scheme for an extension of the Kohn-Sham approach, I introduce an operator form of the Coulomb interaction. This form is the sum of quadratic form pairs, which can be redefined in a self-consistent calculation of a multi-reference density functional theory. A detailed derivation of the form is given. A fluctuation term introduced in the extended Kohn-Sham scheme is expressed in this form for regularization. The present procedure also provides an exact derivation of effective negative interactions in charge fluctuation channels. Relevance to high-temperature superconductors is discussed.

  5. Kohn's theorem, Larmor's equivalence principle and the Newton-Hooke group

    International Nuclear Information System (INIS)

    Gibbons, G.W.; Pope, C.N.

    2011-01-01

    Highlights: → We show that non-relativistic electrons moving in a magnetic field with trapping potential admits as relativity group the Newton-Hooke group. → We use this fact to give a group theoretic interpretation of Kohn's theorem and to obtain the spectrum. → We obtain the lightlike lift of the system exhibiting showing it coincides with the Nappi-Witten spacetime. - Abstract: We consider non-relativistic electrons, each of the same charge to mass ratio, moving in an external magnetic field with an interaction potential depending only on the mutual separations, possibly confined by a harmonic trapping potential. We show that the system admits a 'relativity group' which is a one-parameter family of deformations of the standard Galilei group to the Newton-Hooke group which is a Wigner-Inoenue contraction of the de Sitter group. This allows a group-theoretic interpretation of Kohn's theorem and related results. Larmor's theorem is used to show that the one-parameter family of deformations are all isomorphic. We study the 'Eisenhart' or 'lightlike' lift of the system, exhibiting it as a pp-wave. In the planar case, the Eisenhart lift is the Brdicka-Eardley-Nappi-Witten pp-wave solution of Einstein-Maxwell theory, which may also be regarded as a bi-invariant metric on the Cangemi-Jackiw group.

  6. Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities

    International Nuclear Information System (INIS)

    Varsano, Daniele; Barborini, Matteo; Guidoni, Leonardo

    2014-01-01

    In this work we show the possibility to extract Kohn-Sham orbitals, orbital energies, and exchange correlation potentials from accurate Quantum Monte Carlo (QMC) densities for atoms (He, Be, Ne) and molecules (H 2 , Be 2 , H 2 O, and C 2 H 4 ). The Variational Monte Carlo (VMC) densities based on accurate Jastrow Antisymmetrised Geminal Power wave functions are calculated through different estimators. Using these reference densities, we extract the Kohn-Sham quantities with the method developed by Zhao, Morrison, and Parr (ZMP) [Phys. Rev. A 50, 2138 (1994)]. We compare these extracted quantities with those obtained form CISD densities and with other data reported in the literature, finding a good agreement between VMC and other high-level quantum chemistry methods. Our results demonstrate the applicability of the ZMP procedure to QMC molecular densities, that can be used for the testing and development of improved functionals and for the implementation of embedding schemes based on QMC and Density Functional Theory

  7. How Mathematics Describes Life

    Science.gov (United States)

    Teklu, Abraham

    2017-01-01

    The circle of life is something we have all heard of from somewhere, but we don't usually try to calculate it. For some time we have been working on analyzing a predator-prey model to better understand how mathematics can describe life, in particular the interaction between two different species. The model we are analyzing is called the Holling-Tanner model, and it cannot be solved analytically. The Holling-Tanner model is a very common model in population dynamics because it is a simple descriptor of how predators and prey interact. The model is a system of two differential equations. The model is not specific to any particular set of species and so it can describe predator-prey species ranging from lions and zebras to white blood cells and infections. One thing all these systems have in common are critical points. A critical point is a value for both populations that keeps both populations constant. It is important because at this point the differential equations are equal to zero. For this model there are two critical points, a predator free critical point and a coexistence critical point. Most of the analysis we did is on the coexistence critical point because the predator free critical point is always unstable and frankly less interesting than the coexistence critical point. What we did is consider two regimes for the differential equations, large B and small B. B, A, and C are parameters in the differential equations that control the system where B measures how responsive the predators are to change in the population, A represents predation of the prey, and C represents the satiation point of the prey population. For the large B case we were able to approximate the system of differential equations by a single scalar equation. For the small B case we were able to predict the limit cycle. The limit cycle is a process of the predator and prey populations growing and shrinking periodically. This model has a limit cycle in the regime of small B, that we solved for

  8. New Described Dermatological Disorders

    Directory of Open Access Journals (Sweden)

    Müzeyyen Gönül

    2014-01-01

    Full Text Available Many advances in dermatology have been made in recent years. In the present review article, newly described disorders from the last six years are presented in detail. We divided these reports into different sections, including syndromes, autoinflammatory diseases, tumors, and unclassified disease. Syndromes included are “circumferential skin creases Kunze type” and “unusual type of pachyonychia congenita or a new syndrome”; autoinflammatory diseases include “chronic atypical neutrophilic dermatosis with lipodystrophy and elevated temperature (CANDLE syndrome,” “pyoderma gangrenosum, acne, and hidradenitis suppurativa (PASH syndrome,” and “pyogenic arthritis, pyoderma gangrenosum, acne, and hidradenitis suppurativa (PAPASH syndrome”; tumors include “acquired reactive digital fibroma,” “onychocytic matricoma and onychocytic carcinoma,” “infundibulocystic nail bed squamous cell carcinoma,” and “acral histiocytic nodules”; unclassified disorders include “saurian papulosis,” “symmetrical acrokeratoderma,” “confetti-like macular atrophy,” and “skin spicules,” “erythema papulosa semicircularis recidivans.”

  9. The p53-reactivating small-molecule RITA enhances cisplatin-induced cytotoxicity and apoptosis in head and neck cancer.

    Science.gov (United States)

    Roh, Jong-Lyel; Ko, Jung Ho; Moon, Soo Jin; Ryu, Chang Hwan; Choi, Jun Young; Koch, Wayne M

    2012-12-01

    We evaluated whether the restoration of p53 function by the p53-reactivating small molecule RITA (reactivation of p53 and induction of tumor cell apoptosis enhances cisplatin-induced cytotoxicity and apoptosis in head-and-neck cancer (HNC). RITA induced prominent accumulation and reactivation of p53 in a wild-type TP53-bearing HNC cell line. RITA showed maximal growth suppression in tumor cells showing MDM2-dependent p53 degradation. RITA promoted apoptosis in association with upregulation of p21, BAX, and cleaved caspase-3; notably, the apoptotic response was blocked by pifithrin-α, demonstrating its p53 dependence. With increasing concentrations, RITA strongly induced apoptosis rather than G2-phase arrest. In combination therapy, RITA enhanced cisplatin-induced growth inhibition and apoptosis of HNC cells invitro and in vivo. Our data suggest that the restoration of p53 tumor-suppressive function by RITA enhances the cytotoxicity and apoptosis of cisplatin, an action that may offer an attractive strategy for treating HNC. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

  10. The Recent Infection Testing Algorithm (RITA) in clinical practice: a survey of HIV clinicians in England and Northern Ireland.

    Science.gov (United States)

    Garrett, Nj; Lattimore, S; Gilbart, Vl; Aghaizu, A; Mensah, G; Tosswill, J; Murphy, G; Delpech, V

    2012-08-01

    In order to estimate HIV incidence among high-risk groups, in January 2009 the Health Protection Agency introduced the Recent Infection Testing Algorithm (RITA) in England and Northern Ireland (E&NI), currently the only regions to inform patients of RITA results. This survey of HIV specialists aimed to investigate the role of RITA in patient management and explore clinicians' views on its role in clinical practice and during partner notification. An online questionnaire was distributed to HIV specialists via the British HIV Association membership email list in February 2011. Forty-two HIV specialists from 32 HIV centres responded to the survey among 90 centres enrolled in the programme (response rate 36%). Testing for recent infection was considered standard of care by 83% of respondents, 80% felt confident in interpreting results and 92% discussed results with patients, particularly in the context of a possible HIV seroconversion illness (96%) or when deciding when to start antiretroviral therapy (70%). A third (36%) of specialists were initially concerned that RITA results may cause additional anxiety among patients; however, no adverse events were reported. The majority (90%) felt that results could assist with contact tracing by prioritizing patients with likely recent infection. However, only a few centres have currently incorporated RITA into their HIV partner notification protocols. RITA has been introduced into clinical practice with no reported patient adverse events. Access to results at centre level should be improved. National guidance regarding use of RITA as a tool for contact tracing is required. © 2012 British HIV Association.

  11. RITA enhances chemosensivity of pre-B ALL cells to doxorubicin by inducing p53-dependent apoptosis.

    Science.gov (United States)

    Kazemi, Ahmad; Safa, Majid; Shahbazi, Atefeh

    2011-07-01

    The use of low-molecular-weight, non-peptidic molecules that disrupt the interaction between the p53 tumor suppressor and its negative regulator MDM2 has provided a promising alternative for the treatment of different types of cancer. Here, we used small-molecule reactivation of p53 and induction of tumor cell apoptosis (RITA) to sensitize leukemic NALM-6 cells to doxorubicin by upregulating p53 protein. RITA alone effectively inhibited NALM-6 cells viability in dose-dependent manner as measured by 3-(4,5-dimethylthiazolyl-2)-2,5-diphenyltetrazolium bromide assay and induced apoptosis as evaluated by flow cytometry, whereas RITA in combination with doxorubicin enhanced NALM-6 cells to doxorubicin-sensitivity and promoted doxorubicin induced apoptosis. Levels of p53 protein and its proapoptotic target genes, quantified by western blot and real-time PCR respectively, showed that expression of p53 was significantly increased after RITA treatment. Using p53 inhibitors PFT-alpha and PFT-mu it was shown that p53-mediated apoptosis induced by RITA can be regulated by both p53-transcription-dependent and -independent pathways. Moreover, RITA-induced apoptosis was accompanied by the activation of caspase-3 and PARP cleavage. Therefore, exploiting synergistic effects between RITA and chemotherapeutics might be an effective clinical strategy for leukemia chemotherapy.

  12. Analysis of the Vignale-Kohn current functional in the calculation of the optical spectra of semiconductors

    NARCIS (Netherlands)

    Berger, J. A.; de Boeij, P. L.; van Leeuwen, R.

    In this work, we investigate the Vignale-Kohn current functional when applied to the calculation of optical spectra of semiconductors. We discuss our results for silicon. We found qualitatively similar results for other semiconductors. These results show that there are serious limitations to the

  13. From the Kohn-Sham band gap to the fundamental gap in solids. An integer electron approach

    NARCIS (Netherlands)

    Baerends, E. J.

    2017-01-01

    It is often stated that the Kohn-Sham occupied-unoccupied gap in both molecules and solids is "wrong". We argue that this is not a correct statement. The KS theory does not allow to interpret the exact KS HOMO-LUMO gap as the fundamental gap (difference (I - A) of electron affinity (A) and

  14. Sex and Class Differences in Parent-Child Interaction: A Test of Kohn's Hypothesis. Scientific Paper No. 4181.

    Science.gov (United States)

    Gecas, Viktor; Nye, F. Ivan

    This paper examines sex and class differences in the style and circumstances of parental discipline of the child. Specifically, we have focused on Melvin Kohn's suggestive hypothesis that white collar parents stress the development of internal standards of conduct in their children and thus are more likely to discipline the child on the basis of…

  15. Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations

    NARCIS (Netherlands)

    van Meer, R.; Gritsenko, O.V.; Baerends, E.J.

    2014-01-01

    In recent years, several benchmark studies on the performance of large sets of functionals in time-dependent density functional theory (TDDFT) calculations of excitation energies have been performed. The tested functionals do not approximate exact Kohn-Sham orbitals and orbital energies closely. We

  16. Rangeland livestock production: Developing the concept of sustainability on the Santa Rita Experimental Range

    Science.gov (United States)

    George B. Ruyle

    2003-01-01

    The Santa Rita Experimental Range (SRER) was established in 1903 at the behest of concerned stockmen and researchers as the first facility in the United States set aside to study range livestock production. At the time, severe overgrazing of the public domain had seriously reduced carrying capacities of Southwestern rangelands. Researchers on the SRER developed and...

  17. Archive and laboratory embedded in the landscape: Future of the Santa Rita Experimental Range

    Science.gov (United States)

    Thomas E. Sheridan

    2003-01-01

    The Santa Rita Experimental Range (SRER) is both an archive of past ecological research and a laboratory for continuing research embedded in the southern Arizona landscape. The scientific questions being asked there have changed over the last 100 years, but SRER with its monitoring stations and its legacy of repeat photography still offers a unique opportunity to study...

  18. Sweet resin bush on the Santa Rita Experimental Range: An eradication effort

    Science.gov (United States)

    Larry D. Howery; Bruce D. Munda; Dan G. Robinett; Harry H. Buck

    2003-01-01

    Sweet resin bush (Euryops subcarnosus DC ssp. vulgaris B. Nord; or, Euryops multifidis (L. f.) DC.), a South African shrub introduced to Arizona in the 1930s, was discovered on the Santa Rita Experimental Range (SRER) in 1998. Due to the threat of spread of this invasive plant and its potential to cause adverse environmental and economic effects, and because it posed a...

  19. 75 FR 22770 - Gary E. Hall and Rita Hall; Notice of Availability of Environmental Assessment

    Science.gov (United States)

    2010-04-30

    ... DEPARTMENT OF ENERGY Federal Energy Regulatory Commission [Project No. 13652-000-Montana] Gary E. Hall and Rita Hall; Notice of Availability of Environmental Assessment April 22, 2010. In accordance with the National Environmental Policy Act of 1969, as amended, and the Federal Energy Regulatory...

  20. Vascular plants and a brief history of the Kiowa and Rita Blanca National Grasslands

    Science.gov (United States)

    Donald L. Hazlett; Michael H. Schiebout; Paulette L. Ford

    2009-01-01

    Administered by the USDA Forest Service, the Kiowa and Rita Blanca National Grasslands occupy 230,000 acres of public land extending from northeastern New Mexico into the panhandles of Oklahoma and Texas. A mosaic of topographic features including canyons, plateaus, rolling grasslands and outcrops supports a diverse flora. Eight hundred twenty six (826) species of...

  1. Inelastic neutron scattering experiments with the monochromatic imaging mode of the RITA-II spectrometer

    DEFF Research Database (Denmark)

    Bahl, Christian Robert Haffenden; Lefmann, Kim; Abrahamsen, Asger Bech

    2006-01-01

    Recently a monochromatic multiple data taking mode has been demonstrated for diffraction experiments using a RITA type cold neutron spectrometer with a multi-bladed analyser and a position-sensitive detector. Here, we show how this mode can be used in combination with a flexible radial collimator...

  2. Missed by the Mass Media: The Houma, Pointe-au-Chien, and Hurricanes Katrina and Rita

    Science.gov (United States)

    Collins, Robert Keith

    2008-01-01

    This case study investigates the media discourse from Houma and Pointe-au-Chien tribal leaders in Louisiana on their experiences with Hurricanes Katrina and Rita. One section briefly engages the discourse as discernable from the reports found in Native American and non-Native American news media. Included is a brief yet close examination of these…

  3. Lightcurves for Shape Modeling: 852 Wladilena, 1089 Tama, and 1180 Rita

    Science.gov (United States)

    Polishook, David

    2012-10-01

    The folded lightcurves and synodic periods of 852 Wladilena, 1089 Tama, and 1180 Rita are reported. The data are used by Hanus et al. (2012) to derive the rotation axis and to construct a shape model by applying the inversion lightcurve technique.

  4. REMOTE SENSING DAMAGE ASSESSMENT OF CHEMICAL PLANTS AND REFINERIES FOLLOWING HURRICANES KATRINA AND RITA

    Science.gov (United States)

    The massive destruction brought by Hurricanes Katrina and Rita also impacted the many chemical plants and refineries in the region. The achievement of this rapid analysis capability highlights the advancement of this technology for air quality assessment and monitoring. Case st...

  5. Rita Lobato: a primeira médica formada no Brasil

    Directory of Open Access Journals (Sweden)

    Francisco Bruno Lobo

    2017-04-01

    Dentre elas foi escolhida a primeira mulher que se diplomou em medicina em uma Faculdade brasileira: A Dra. Rita Lobato de Freitas . No dia 9 de junho, aniversário de seu nascimento, o referido sêlo entrou em circulação.

  6. Geology of Santa Rita Coal Basin, Rio Grande do Sul, Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Correa da Silva, Z.C.; Bortoluzzi, C.A.; Cazzulo-Klepzig, M.; Dias-Fabricio, M.E.; Guerra-Sommer, M.; Marques-Toigo, M.; Paim, P.S.G.; Piccoli, A.E.M.; Silva Filho, B.C.

    1984-04-01

    Data on the sedimentology, stratigraphy, palynology, coal petrography and geochemistry of the Santa Rita Coal Basin, Rio Grande do Sul, Brazil, are presented. The investigations were carried out on samples obtained from drill cores of the sedimentary rocks of Tubarao Supergroup, Lower Permian of Parana Basin. (25 refs.)

  7. The Impact of Hurricanes Katrina and Rita on Louisiana School Nurses

    Science.gov (United States)

    Broussard, Lisa; Myers, Rachel; Meaux, Julie

    2008-01-01

    In the fall of 2005, the coast of Louisiana was devastated by two hurricanes, Katrina and Rita. Not only did these natural disasters have detrimental effects for those directly in their path, the storms had an impact on the lives of everyone in Louisiana. The professional practice of many Louisiana school nurses was affected by several factors,…

  8. Construction of integrable model Kohn-Sham potentials by analysis of the structure of functional derivatives

    International Nuclear Information System (INIS)

    Gaiduk, Alex P.; Staroverov, Viktor N.

    2011-01-01

    A directly approximated exchange-correlation potential should, by construction, be a functional derivative of some density functional in order to avoid unphysical results. Using generalized gradient approximations (GGAs) as an example, we show that functional derivatives of explicit density functionals have a very rigid inner structure, the knowledge of which allows one to build the entire functional derivative from a small part. Based on this analysis, we develop a method for direct construction of integrable Kohn-Sham potentials. As an illustration, we transform the model potential of van Leeuwen and Baerends (which is not a functional derivative) into a semilocal exchange potential that has a parent GGA, yields accurate energies, and is free from the artifacts inherent in existing semilocal potential approximations.

  9. Effects of edge magnetism on the Kohn anomalies of zigzag graphene nanoribbons

    International Nuclear Information System (INIS)

    Culchac, F J; Capaz, Rodrigo B

    2016-01-01

    The effects of edge magnetism on the Kohn anomaly (KA) of the G-band phonons of zigzag graphene nanoribbons (ZGNRs) are studied using a combination of the tight-binding and mean-field Hubbard models. We show that the opening of an energy gap, induced by magnetic ordering, significantly changes the KA effects, particularly for narrow ribbons in which the gap is larger than the phonon energy. Therefore, the G-band phonon frequency and lifetime are altered for a magnetically-ordered edge state with respect to an unpolarized edge state. The effects of temperature, ZGNR width, doping and transverse electric fields are systematically investigated. We propose using this effect to probe the magnetic order of edge states in graphene nanoribbons using Raman spectroscopy. (paper)

  10. On the relation between the Hartree-Fock and Kohn-Sham approaches

    Energy Technology Data Exchange (ETDEWEB)

    Amusia, M.Ya. [Racah Institute of Physics, Hebrew University, 91904 Jerusalem (Israel); A.F. Ioffe Physical-Technical Institute, 194021 St. Petersburg (Russian Federation); Msezane, A.Z. [CTSPS, Clark Atlanta University, Atlanta, GA 30314 (United States); Shaginyan, V.R. [CTSPS, Clark Atlanta University, Atlanta, GA 30314 (United States); Petersburg Nuclear Physics Institute, 188300 Gatchina (Russian Federation)]. E-mail: vrshag@thd.pnpi.spb.ru; Sokolovski, D. [Queen' s University of Belfast, Belfast BT7 1NN (United Kingdom)

    2004-09-13

    We show that the Hartree-Fock (HF) results cannot be reproduced within the framework of Kohn-Sham (KS) theory because the single-particle densities of finite systems obtained within the HF calculations are not v-representable, i.e., do not correspond to any ground state of a N non-interacting electron systems in a local external potential. For this reason, the KS theory, which finds a minimum on a different subset of all densities, can overestimate the ground state energy, as compared to the HF result. The discrepancy between the two approaches provides no grounds to assume that either the KS theory or the density functional theory suffers from internal contradictions.

  11. On the relation between the Hartree-Fock and Kohn-Sham approaches

    International Nuclear Information System (INIS)

    Amusia, M.Ya.; Msezane, A.Z.; Shaginyan, V.R.; Sokolovski, D.

    2004-01-01

    We show that the Hartree-Fock (HF) results cannot be reproduced within the framework of Kohn-Sham (KS) theory because the single-particle densities of finite systems obtained within the HF calculations are not v-representable, i.e., do not correspond to any ground state of a N non-interacting electron systems in a local external potential. For this reason, the KS theory, which finds a minimum on a different subset of all densities, can overestimate the ground state energy, as compared to the HF result. The discrepancy between the two approaches provides no grounds to assume that either the KS theory or the density functional theory suffers from internal contradictions

  12. Experiences with the quadratic Korringa-Kohn-Rostoker band theory method

    International Nuclear Information System (INIS)

    Faulkner, J.S.

    1992-01-01

    This paper reports on the Quadratic Korriga-Kohn-Rostoker method which is a fast band theory method in the sense that all eigenvalues for a given k are obtained from one matrix diagonalization, but it differs from other fast band theory methods in that it is derived entirely from multiple-scattering theory, without the introduction of a Rayleigh-Ritz variations step. In this theory, the atomic potentials are shifted by Δσ(r) with Δ equal to E-E 0 and σ(r) equal to one when r is inside the Wigner-Seitz cell and zero otherwise, and it turns out that the matrix of coefficients is an entire function of Δ. This matrix can be terminated to give a linear KKR, quadratic KKR, cubic KKR,..., or not terminated at all to give the pivoted multiple-scattering equations. Full potential are no harder to deal with than potentials with a shape approximation

  13. Recent Advances in the Korringa-Kohn-Rostoker Green Function Method

    Directory of Open Access Journals (Sweden)

    Zeller Rudolf

    2014-01-01

    Full Text Available The Korringa-Kohn-Rostoker (KKR Green function (GF method is a technique for all-electron full-potential density-functional calculations. Similar to the historical Wigner-Seitz cellular method, the KKR-GF method uses a partitioning of space into atomic Wigner-Seitz cells. However, the numerically demanding wave-function matching at the cell boundaries is avoided by use of an integral equation formalism based on the concept of reference Green functions. The advantage of this formalism will be illustrated by the recent progress made for very large systems with thousands of inequivalent atoms and for very accurate calculations of atomic forces and total energies.

  14. High-temperature electronic structure with the Korringa-Kohn-Rostoker Green's function method

    Science.gov (United States)

    Starrett, C. E.

    2018-05-01

    Modeling high-temperature (tens or hundreds of eV), dense plasmas is challenging due to the multitude of non-negligible physical effects including significant partial ionization and multisite effects. These effects cause the breakdown or intractability of common methods and approximations used at low temperatures, such as pseudopotentials or plane-wave basis sets. Here we explore the Korringa-Kohn-Rostoker Green's function method at these high-temperature conditions. The method is all electron, does not rely on pseudopotentials, and uses a spherical harmonic basis set, and so avoids the aforementioned limitations. It is found to be accurate for solid density aluminum and iron plasmas when compared to a plane-wave method at low temperature, while being able to access high temperatures.

  15. The QTP family of consistent functionals and potentials in Kohn-Sham density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Jin, Yifan; Bartlett, Rodney J., E-mail: bartlett@qtp.ufl.edu [Quantum Theory Project and Departments of Chemistry and Physics, University of Florida, Gainesville, Florida 32611 (United States)

    2016-07-21

    This manuscript presents the second, consistent density functional in the QTP (Quantum Theory Project) family, that is, the CAM-QTP(01). It is a new range-separated exchange-correlation functional in which the non-local exchange contribution is 100% at large separation. It follows the same basic principles of this family that the Kohn-Sham eigenvalues of the occupied orbitals approximately equal the vertical ionization energies, which is not fulfilled by most of the traditional density functional methods. This new CAM-QTP(01) functional significantly improves the accuracy of the vertical excitation energies especially for the Rydberg states in the test set. It also reproduces many other properties such as geometries, reaction barrier heights, and atomization energies.

  16. Complex Kohn variational principle for the solution of Lippmann-Schwinger equations

    International Nuclear Information System (INIS)

    Adhikari, S.K.

    1992-07-01

    A recently proposed version of the Kohn variational principle for the t matrix incorporating the correct boundary condition is applied for the first time to the study of nucleon-nucleon scattering. Analytic expressions can be obtained for all the integrals in the method for a wide class of potentials and for a suitable choice of trial functions. Closed-form analytic expressions for these integrals are given for Yakawa and exponential potentials. Calculations with two commonly used S-wave nucleon-nucleon potentials show that the method may converge faster than other solution schemes not only for the phase-shifts but also for the off-shell t matrix elements if the freedom in the choice of the trial function is exploited. (author)

  17. Functional renormalization group and Kohn-Sham scheme in density functional theory

    Science.gov (United States)

    Liang, Haozhao; Niu, Yifei; Hatsuda, Tetsuo

    2018-04-01

    Deriving accurate energy density functional is one of the central problems in condensed matter physics, nuclear physics, and quantum chemistry. We propose a novel method to deduce the energy density functional by combining the idea of the functional renormalization group and the Kohn-Sham scheme in density functional theory. The key idea is to solve the renormalization group flow for the effective action decomposed into the mean-field part and the correlation part. Also, we propose a simple practical method to quantify the uncertainty associated with the truncation of the correlation part. By taking the φ4 theory in zero dimension as a benchmark, we demonstrate that our method shows extremely fast convergence to the exact result even for the highly strong coupling regime.

  18. Towards a Kohn-Sham potential via the optimized effective-potential method

    International Nuclear Information System (INIS)

    Norman, M.R.; Koelling, D.D.

    1984-01-01

    The optimized effective-potential (OEP) method is applied to a self-interaction-corrected local-spin-density (SIC-LSD) energy functional. The local potential which results has the useful properties of being both self-interaction free and orbital independent, and it can thus be regarded as a good approximation to the exact Kohn-Sham potential. A number of atomic systems are examined in the exchange-only and in the Ceperley-Alder exchange-correlation approximations. The resulting total energies are very close to those obtained by previous applications of the LSD-SIC functional. The resultant potentials are structurally similar to those derived by applying the OEP method to a Hartree-Fock Hamiltonian: showing much improved behavior over the local-spin-density approximation in both large- and small-r regions as well as the characteristic intershell cusplike structure. The eigenvalues have less formal significance than the more standard approaches, especially those for unoccupied orbitals which seem to have no significance whatsoever. Nonetheless, the highest occupied eigenvalue agrees closely with the conventional LSD-SIC value. However, for the deeper levels, each eigenvalue lies higher than the comparable eigenvalue of the conventional SIC, although lower than the eigenvalue of the LSD potential: the deeper the level, the larger the difference. This property follows from the nonvariational character of the eigenvalues, and it is shown that one can obtain realistic excitation spectra from this formalism by utilizing the appropriate variational quantity. The results obtained illustrate some of the less understood issues in the application of the Kohn-Sham procedure within density-functional theory

  19. The Use of Trust Regions in Kohn-Sham Total Energy Minimization

    International Nuclear Information System (INIS)

    Yang, Chao; Meza, Juan C.; Wang, Lin-wang

    2006-01-01

    The Self Consistent Field (SCF) iteration, widely used for computing the ground state energy and the corresponding single particle wave functions associated with a many-electron atomistic system, is viewed in this paper as an optimization procedure that minimizes the Kohn-Sham total energy indirectly by minimizing a sequence of quadratic surrogate functions. We point out the similarity and difference between the total energy and the surrogate, and show how the SCF iteration can fail when the minimizer of the surrogate produces an increase in the KS total energy. A trust region technique is introduced as a way to restrict the update of the wave functions within a small neighborhood of an approximate solution at which the gradient of the total energy agrees with that of the surrogate. The use of trust region in SCF is not new. However, it has been observed that directly applying a trust region based SCF(TRSCF) to the Kohn-Sham total energy often leads to slow convergence. We propose to use TRSCF within a direct constrained minimization(DCM) algorithm we developed in dcm. The key ingredients of the DCM algorithm involve projecting the total energy function into a sequence of subspaces of small dimensions and seeking the minimizer of the total energy function within each subspace. The minimizer of a subspace energy function, which is computed by TRSCF, not only provides a search direction along which the KS total energy function decreases but also gives an optimal 'step-length' that yields a sufficient decrease in total energy. A numerical example is provided to demonstrate that the combination of TRSCF and DCM is more efficient than SCF

  20. Metal concentrations in schoolyard soils from New Orleans, Louisiana before and after Hurricanes Katrina and Rita.

    Science.gov (United States)

    Presley, Steven M; Abel, Michael T; Austin, Galen P; Rainwater, Thomas R; Brown, Ray W; McDaniel, Les N; Marsland, Eric J; Fornerette, Ashley M; Dillard, Melvin L; Rigdon, Richard W; Kendall, Ronald J; Cobb, George P

    2010-06-01

    The long-term environmental impact and potential human health hazards resulting from Hurricanes Katrina and Rita throughout much of the United States Gulf Coast, particularly in the New Orleans, Louisiana, USA area are still being assessed and realized after more than four years. Numerous government agencies and private entities have collected environmental samples from throughout New Orleans and found concentrations of contaminants exceeding human health screening values as established by the United States Environmental Protection Agency (USEPA) for air, soil, and water. To further assess risks of exposure to toxic concentrations of soil contaminants for citizens, particularly children, returning to live in New Orleans following the storms, soils collected from schoolyards prior to Hurricane Katrina and after Hurricane Rita were screened for 26 metals. Concentrations exceeding USEPA Regional Screening Levels (USEPA-RSL), total exposure, non-cancer endpoints, for residential soils for arsenic (As), iron (Fe), lead (Pb), and thallium (Tl) were detected in soil samples collected from schoolyards both prior to Hurricane Katrina and after Hurricane Rita. Approximately 43% (9/21) of schoolyard soils collected prior to Hurricane Katrina contained Pb concentrations greater than 400mgkg(-1), and samples from four schoolyards collected after Hurricane Rita contained detectable Pb concentrations, with two exceeding 1700mgkg(-1). Thallium concentrations exceeded USEPA-RSL in samples collected from five schoolyards after Hurricane Rita. Based upon these findings and the known increased susceptibility of children to the effects of Pb exposure, a more extensive assessment of the soils in schoolyards, public parks and other residential areas of New Orleans for metal contaminants is warranted. 2010 Elsevier Ltd. All rights reserved.

  1. Hurricane Rita Track Radar Image with Topographic Overlay

    Science.gov (United States)

    2005-01-01

    [figure removed for brevity, see original site] Animation About the animation: This simulated view of the potential effects of storm surge flooding on Galveston and portions of south Houston was generated with data from the Shuttle Radar Topography Mission. Although it is protected by a 17-foot sea wall against storm surges, flooding due to storm surges caused by major hurricanes remains a concern. The animation shows regions that, if unprotected, would be inundated with water. The animation depicts flooding in one-meter increments. About the image: The Gulf Coast from the Mississippi Delta through the Texas coast is shown in this satellite image from NASA's Moderate Resolution Imaging Spectroradiometer (MODIS) overlain with data from the Shuttle Radar Topography Mission (SRTM), and the predicted storm track for Hurricane Rita. The prediction from the National Weather Service was published Sept. 22 at 4 p.m. Central Time, and shows the expected track center in black with the lighter shaded area indicating the range of potential tracks the storm could take. Low-lying terrain along the coast has been highlighted using the SRTM elevation data, with areas within 15 feet of sea level shown in red, and within 30 feet in yellow. These areas are more at risk for flooding and the destructive effects of storm surge and high waves. Data used in this image were acquired by the Shuttle Radar Topography Mission aboard the Space Shuttle Endeavour, launched on Feb. 11, 2000. SRTM used the same radar instrument that comprised the Spaceborne Imaging Radar-C/X-Band Synthetic Aperture Radar (SIR-C/X-SAR) that flew twice on the Space Shuttle Endeavour in 1994. SRTM was designed to collect 3-D measurements of the Earth's surface. To collect the 3-D data, engineers added a 60-meter (approximately 200-foot) mast, installed additional C-band and X-band antennas, and improved tracking and navigation devices. The mission is a cooperative project between NASA, the National Geospatial

  2. Hurricane Rita Aerial Photography: High-Resolution Imagery of the Texas and Louisiana Gulf Coast After Landfall

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The imagery posted on this site is of the Texas and Louisiana Gulf Coast after Hurricane Rita made landfall. The regions photographed range from San Luis Pass, Texas...

  3. The Santa Rita Shear Zone: Major Mesozoic deformation along the western flank of the White-Inyo Range, CA

    Energy Technology Data Exchange (ETDEWEB)

    Brudos, T.C.; Paterson, S.R. (Univ. of Southern California, Los Angeles, CA (United States). Dept. of Geological Sciences)

    1993-04-01

    The Santa Rita Shear Zone (SRSZ), briefly described by Ross (1967), deforms the western part of the 164 Ma Santa Rita Flat pluton (SRFP), located SSE of Big Pine, CA. The SRSZ comprises a subvertical zone of solid-state deformation (strike N15E) over an area at least 13 km long by 2--3 km wide. Exposure of the shear zone is limited to the north and west by overlying Quaternary volcanics and basin fill within the Late Cenozoic Owens Valley graben. The SRSZ is larger than its present outcrop extent: strain magnitudes are highest within the westernmost exposures. The SRSZ along this western margin is a continuous zone of deformation comprising a mm-scale solid-state foliation containing igneous feldspars flattened into ovals with > 10:1 aspect ratios. The authors have identified three dike phases within the SRFP: (1) minor NE-striking Phase 1 dikes, comprising cm-scale aplites; (2) widespread m-scale Phase 2 dikes, which strike N10E; and (3) m-scale NW-striking Phase 3 mafic dikes. The Phase 1 and Phase 3 dikes are pre- and post-tectonic respectively; observations described below indicate the Phase 2 dikes are syn- to post-deformation. Deformation becomes localized along the Phase 2 dikes -- which are parallel to the orientation of the main body of the shear zone. Solid-state fabrics imposed on the Phase 2 dikes formed at higher temperatures than those within the SRFP, and in the east the SRFP is deformed only within a few cm of the dikes. They surmise syntectonic emplacement of the dikes into dislocational surfaces within the SRSZ, followed by solid-state deformation of the cooling dikes. Several workers have suggested the dikes within the SRFP are part of the 148 Ma independence dike swarm (referring to the Phase 2 or 3 dikes). If correct, this correlation indicates a Jurassic age for the SRSZ. Radiometric analyses of the dikes are in progress.

  4. Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations.

    Science.gov (United States)

    van Meer, R; Gritsenko, O V; Baerends, E J

    2014-10-14

    In recent years, several benchmark studies on the performance of large sets of functionals in time-dependent density functional theory (TDDFT) calculations of excitation energies have been performed. The tested functionals do not approximate exact Kohn-Sham orbitals and orbital energies closely. We highlight the advantages of (close to) exact Kohn-Sham orbitals and orbital energies for a simple description, very often as just a single orbital-to-orbital transition, of molecular excitations. Benchmark calculations are performed for the statistical average of orbital potentials (SAOP) functional for the potential [J. Chem. Phys. 2000, 112, 1344; 2001, 114, 652], which approximates the true Kohn-Sham potential much better than LDA, GGA, mGGA, and hybrid potentials do. An accurate Kohn-Sham potential does not only perform satisfactorily for calculated vertical excitation energies of both valence and Rydberg transitions but also exhibits appealing properties of the KS orbitals including occupied orbital energies close to ionization energies, virtual-occupied orbital energy gaps very close to excitation energies, realistic shapes of virtual orbitals, leading to straightforward interpretation of most excitations as single orbital transitions. We stress that such advantages are completely lost in time-dependent Hartree-Fock and partly in hybrid approaches. Many excitations and excitation energies calculated with local density, generalized gradient, and hybrid functionals are spurious. There is, with an accurate KS, or even the LDA or GGA potentials, nothing problematic about the "band gap" in molecules: the HOMO-LUMO gap is close to the first excitation energy (the optical gap).

  5. An Axisymmetric View of Concentric Eyewall Evolution in Hurricane Rita (2005)

    Science.gov (United States)

    2012-08-01

    of Hurricane Hugo (1989). Mon. Wea. Rev., 136, 1237–1259. Martinez, Y., G. Brunet, and M. K. Yau, 2010: On the dynamics of two-dimensional hurricane ...An Axisymmetric View of Concentric Eyewall Evolution in Hurricane Rita (2005) MICHAEL M. BELL Naval Postgraduate School, Monterey, California, and... Hurricane Research Division, Miami, Florida WEN-CHAU LEE National Center for Atmospheric Research,* Boulder, Colorado (Manuscript received 23 June 2011, in

  6. Pharmacological targeting of p53 through RITA is an effective antitumoral strategy for malignant pleural mesothelioma.

    Science.gov (United States)

    Di Marzo, Domenico; Forte, Iris Maria; Indovina, Paola; Di Gennaro, Elena; Rizzo, Valeria; Giorgi, Francesca; Mattioli, Eliseo; Iannuzzi, Carmelina Antonella; Budillon, Alfredo; Giordano, Antonio; Pentimalli, Francesca

    2014-01-01

    Malignant mesothelioma, a very aggressive tumor associated to asbestos exposure, is expected to increase in incidence, and unfortunately, no curative modality exists. Reactivation of p53 is a new attractive antitumoral strategy. p53 is rarely mutated in mesothelioma, but it is inactivated in most tumors by the lack of p14(ARF). Here, we evaluated the feasibility of this approach in pleural mesothelioma by testing RITA and nutlin-3, two molecules able to restore p53 function through a different mechanism, on a panel of mesothelioma cell lines representing the epithelioid (NCI-H28, NCI-H2452, IST-MES 2), biphasic (MSTO-211H), and sarcomatoid (NCI-H2052) histotypes compared with the normal mesothelial HMC-hTERT. RITA triggered robust caspase-dependent apoptosis specifically in epithelioid and biphasic mesothelioma cell lines, both through wild-type and mutant p53, concomitant to p21 downregulation. Conversely, nutlin-3 induced a p21-dependent growth arrest, rather than apoptosis, and was slightly toxic on HMC-hTERT.   Interestingly, we identified a previously undetected point mutation of p53 (p.Arg249Ser) in IST-MES 2, and showed that RITA is also able to reactivate this p53 mutant protein and its apoptotic function. RITA reduced tumor growth in a MSTO-211H-derived xenograft model of mesothelioma and synergized with cisplatin, which is the mainstay of treatment for this tumor. Our data indicate that reactivation of p53 and concomitant p21 downregulation effectively induce cell death in mesothelioma, a tumor characterized by a high intrinsic resistance to apoptosis. Altogether, our findings provide the preclinical framework supporting the use of p53-reactivating agents alone, or in combination regimens, to improve the outcome of patients with mesothelioma.

  7. Effects of marsh pond terracing on coastal wintering waterbirds before and after Hurricane Rita.

    Science.gov (United States)

    O'Connell, Jessica L; Nyman, John A

    2011-11-01

    From February to March 2005-2006, we surveyed wintering waterbirds to test effects of terracing on coastal pond use before and after Hurricane Rita. Marsh terracing is intended to slow coastal marsh loss in the Chenier Plain by slowing marsh erosion and encouraging vegetation expansion. Terraces also increase marsh edge in ponds, possibly benefiting waterbirds. We monitored paired terraced and unterraced ponds in three sites within southwestern Louisiana's Chenier Plain. Waterbirds were 75% more numerous in terraced than unterraced ponds. Waterbird richness was similar among ponds when corrected for number of individuals, suggesting terracing increased bird density but did not provide habitat unique from unterraced ponds. Birds were 93% more numerous following Hurricane Rita, mostly due to an influx of migrating waterfowl. Year round residents were similar in number before and after Hurricane Rita. Resident richness did not differ among years after correcting for number of observed individuals. Wading and dabbling foragers were more abundant in terraced ponds and these two guilds represented 74% of birds observed. We detected no difference among ponds for other guilds, i.e., probing, aerial, and diving foragers. Increasing proportion of mash edge increased bird density disproportionately: On average ponds with 10% edge had 6 birds observed and ponds with 30% edge had 16 birds observed. Terraces increased habitat interspersion and were an effective tool for increasing numbers of wintering waterfowl and wading birds. The extent to which terraces were sustainable following hurricane forces is unknown.

  8. Effects of Marsh Pond Terracing on Coastal Wintering Waterbirds Before and After Hurricane Rita

    Science.gov (United States)

    O'Connell, Jessica L.; Nyman, John A.

    2011-11-01

    From February to March 2005-2006, we surveyed wintering waterbirds to test effects of terracing on coastal pond use before and after Hurricane Rita. Marsh terracing is intended to slow coastal marsh loss in the Chenier Plain by slowing marsh erosion and encouraging vegetation expansion. Terraces also increase marsh edge in ponds, possibly benefiting waterbirds. We monitored paired terraced and unterraced ponds in three sites within southwestern Louisiana's Chenier Plain. Waterbirds were 75% more numerous in terraced than unterraced ponds. Waterbird richness was similar among ponds when corrected for number of individuals, suggesting terracing increased bird density but did not provide habitat unique from unterraced ponds. Birds were 93% more numerous following Hurricane Rita, mostly due to an influx of migrating waterfowl. Year round residents were similar in number before and after Hurricane Rita. Resident richness did not differ among years after correcting for number of observed individuals. Wading and dabbling foragers were more abundant in terraced ponds and these two guilds represented 74% of birds observed. We detected no difference among ponds for other guilds, i.e., probing, aerial, and diving foragers. Increasing proportion of mash edge increased bird density disproportionately: On average ponds with 10% edge had 6 birds observed and ponds with 30% edge had 16 birds observed. Terraces increased habitat interspersion and were an effective tool for increasing numbers of wintering waterfowl and wading birds. The extent to which terraces were sustainable following hurricane forces is unknown.

  9. SISTEM INFORMASI DAN PENGOLAHAN DATA GAJI KARYAWAN PADA RITA PASARAYA KEBONDALEM PURWOKERTO

    Directory of Open Access Journals (Sweden)

    Nyoman Heddy Triyodanta

    2009-02-01

    Full Text Available Penelitian ini berjudul "Sistem Informasi dan Pengolahan Data GajiKaryawan pada Rita Pasaraya Kebondalem Purwokerto". Tujuan dari penelitian iniodalah untuk mengetahui prosedur sistem informasi pengolahan data gaji karynvanyang sedang berjalan atau sedang dipakai pada Rita Pasaraya KebondalemPurwoketo, yang masih dilakukan dengan proses manual dan pada akhirnyadirancang suatu sistem informasi yang lebih baik. Merancang sistem informasi yangberbasis komputer untuk membantu mengatasi kelemahan dalam pengolahan datamenjadi informasi sesuai dengan kebutuhan user. Hasil analisis menunjukkan bahwapengolahan data di Rita Pasaraya Kebondalem Purwokerto mosih menggunakansistem manual. Sistem yang baru yaitu komputerisasi akan lebih tepat biladipergunakan untuk kehandalan data gaji karyawan. Selain sistem yang baru secarakomputerisasi kedisiplinan pemakai juga perlu ditingkatkan, secara fasilitastambahan selain ruangan khusus yaitu adanya Air Condisioner (AC pada ruangkomputer untuk membuat awet secara perangkat keras komputer dan komputer dapatdihidupkan secara terus menerus. Sistem yang baru aknn menambah kepercayaanImryawan dan pihak lain yang membutuhkan karena akurat, tepat dan handal. Sertapengambilan keputusan tentang kondisi data gaji karyawan dapat lebih alatrat dancepat yang tidak lain dapat meningkatkan kinerja karyawan terhadap perusahaan.

  10. Sediment deposition from Hurricane Rita on Hackberry Beach chenier in southwestern Louisiana: Chapter 6E in Science and the storms-the USGS response to the hurricanes of 2005

    Science.gov (United States)

    Faulkner, Stephen; Barrow, Wylie; Doyle, Thomas; Baldwin, Michael; Michot, Thomas; Wells, Christopher; Jeske, Clint

    2007-01-01

    Hurricane Rita significantly impacted the chenier forests of southwestern Louisiana, an important habitat for Neotropical migratory birds. Sediment deposition was measured along transects at Hackberry Beach chenier, and Rita's effects on chenier structure and morphology were determined.

  11. Kohn condition and exotic Newton-Hooke symmetry in the non-commutative Landau problem

    International Nuclear Information System (INIS)

    Zhang, P.-M.; Horvathy, P.A.

    2012-01-01

    N “exotic” [alias non-commutative] particles with masses m a , charges e a and non-commutative parameters θ a , moving in a uniform magnetic field B, separate into center-of-mass and internal motions if Kohn's condition e a /m a =const is supplemented with e a θ a =const. Then the center-of-mass behaves as a single exotic particle carrying the total mass and charge of the system, M and e, and a suitably defined non-commutative parameter Θ. For vanishing electric field off the critical case eΘB≠1, the particles perform the usual cyclotronic motion with modified but equal frequency. The system is symmetric under suitable time-dependent translations which span a (4+2)-parameter centrally-extended subgroup of the “exotic” [i.e., two-parameter centrally-extended] Newton–Hooke group. In the critical case B=B c =(eΘ) −1 the system is frozen into a static “crystal” configuration. Adding a constant electric field, all particles perform, collectively, a cyclotronic motion combined with a drift perpendicular to the electric field when eΘB≠1. For B=B c the cyclotronic motion is eliminated and all particles move, collectively, following the Hall law. Our time-dependent symmetries are reduced to the (2+1)-parameter Heisenberg group of centrally-extended translations.

  12. Difficulties in applying pure Kohn-Sham density functional theory electronic structure methods to protein molecules

    Science.gov (United States)

    Rudberg, Elias

    2012-02-01

    Self-consistency-based Kohn-Sham density functional theory (KS-DFT) electronic structure calculations with Gaussian basis sets are reported for a set of 17 protein-like molecules with geometries obtained from the Protein Data Bank. It is found that in many cases such calculations do not converge due to vanishing HOMO-LUMO gaps. A sequence of polyproline I helix molecules is also studied and it is found that self-consistency calculations using pure functionals fail to converge for helices longer than six proline units. Since the computed gap is strongly correlated to the fraction of Hartree-Fock exchange, test calculations using both pure and hybrid density functionals are reported. The tested methods include the pure functionals BLYP, PBE and LDA, as well as Hartree-Fock and the hybrid functionals BHandHLYP, B3LYP and PBE0. The effect of including solvent molecules in the calculations is studied, and it is found that the inclusion of explicit solvent molecules around the protein fragment in many cases gives a larger gap, but that convergence problems due to vanishing gaps still occur in calculations with pure functionals. In order to achieve converged results, some modeling of the charge distribution of solvent water molecules outside the electronic structure calculation is needed. Representing solvent water molecules by a simple point charge distribution is found to give non-vanishing HOMO-LUMO gaps for the tested protein-like systems also for pure functionals.

  13. Finite element (fem) Kohn-Sham density functional approach to lighter dimers

    International Nuclear Information System (INIS)

    Kolb, D.; Kopylow, A.V.; Duesterhoft, C.; Heinemann, D.

    1998-01-01

    The very accurate Finite Element Method has been employed for a comparative study of various combinations of frequently used exchange and correlation density functionals both local and non-local. We also investigated the properties of the Colle- Salvetti orbital functional in KLI approximation. All these studies were done for atoms and dimers of the sp-shell which exhibits a rich variety of system dependent properties. Moving through the sp-shell we compare binding energies, radii and vibrational frequencies for ground state and excited configurations and also compute potential energy surfaces (curves) as a function of internuclear distance. The dependency of total energies on occupation number variations of the Kohn-Sham orbitals provides inferences on polarisation and alignment. An interesting question is how to incorporate at least approximately non- relativistic strict physical conservation laws like spin S 2 and S z , angular momentum L 2 and L z and parity and how to allow for symmetry breaking necessary for the dissociation e.g. of N 2 . (Copyright (1998) World Scientific Publishing Co. Pte. Ltd)

  14. Comment on 'Asymptotic form of the Kohn-Sham correlation potential'

    International Nuclear Information System (INIS)

    Holas, A.

    2008-01-01

    For finite systems that have the energetically highest-occupied molecular orbital (HOMO) with an asymptotic nodal surface, Joubert demonstrated recently [Phys. Rev. A 76, 012501 (2007)] strongly anisotropic behavior (in the asymptotic large-r region) of the exact correlation potential of density-functional theory. As is shown by us, this result is a direct and simple consequence of the strong anisotropy of the exact exchange potential obtained by Della Sala and Goerling [Phys. Rev. Lett. 89, 033003 (2002); Della Sala and GoerlingJ. Chem. Phys. 116, 5374 (2002)] and the assumption about the asymptotic isotropy of the Kohn-Sham (KS) potential (based on the investigation of Almbladh and von Barth [Phys. Rev. B 31, 3231 (1985)] for atoms). Joubert's result remains a hypothesis only, because the last assumption is in contradiction with the asymptotic strong anisotropy of the KS potential for systems with asymptotic nodal surface of the HOMO, demonstrated by Wu, Ayers, and Yang [J. Chem. Phys. 119, 2978 (2003)]. The correlation potential in the asymptotic region, stemming from their results, is given

  15. Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals?

    International Nuclear Information System (INIS)

    Theophilou, Iris; Helbig, Nicole; Lathiotakis, Nektarios N.; Gidopoulos, Nikitas I.; Rubio, Angel

    2015-01-01

    Recently, an approximate theoretical framework was introduced, called local reduced density matrix functional theory (local-RDMFT), where functionals of the one-body reduced density matrix (1-RDM) are minimized under the additional condition that the optimal orbitals satisfy a single electron Schrödinger equation with a local potential. In the present work, we focus on the character of these optimal orbitals. In particular, we compare orbitals obtained by local-RDMFT with those obtained with the full minimization (without the extra condition) by contrasting them against the exact NOs and orbitals from a density functional calculation using the local density approximation (LDA). We find that the orbitals from local-RMDFT are very close to LDA orbitals, contrary to those of the full minimization that resemble the exact NOs. Since local RDMFT preserves the good quality of the description of strong static correlation, this finding opens the way to a mixed density/density matrix scheme, where Kohn-Sham orbitals obtain fractional occupations from a minimization of the occupation numbers using 1-RDM functionals. This will allow for a description of strong correlation at a cost only minimally higher than a density functional calculation

  16. Difficulties in applying pure Kohn-Sham density functional theory electronic structure methods to protein molecules

    International Nuclear Information System (INIS)

    Rudberg, Elias

    2012-01-01

    Self-consistency-based Kohn-Sham density functional theory (KS-DFT) electronic structure calculations with Gaussian basis sets are reported for a set of 17 protein-like molecules with geometries obtained from the Protein Data Bank. It is found that in many cases such calculations do not converge due to vanishing HOMO-LUMO gaps. A sequence of polyproline I helix molecules is also studied and it is found that self-consistency calculations using pure functionals fail to converge for helices longer than six proline units. Since the computed gap is strongly correlated to the fraction of Hartree-Fock exchange, test calculations using both pure and hybrid density functionals are reported. The tested methods include the pure functionals BLYP, PBE and LDA, as well as Hartree-Fock and the hybrid functionals BHandHLYP, B3LYP and PBE0. The effect of including solvent molecules in the calculations is studied, and it is found that the inclusion of explicit solvent molecules around the protein fragment in many cases gives a larger gap, but that convergence problems due to vanishing gaps still occur in calculations with pure functionals. In order to achieve converged results, some modeling of the charge distribution of solvent water molecules outside the electronic structure calculation is needed. Representing solvent water molecules by a simple point charge distribution is found to give non-vanishing HOMO-LUMO gaps for the tested protein-like systems also for pure functionals. (fast track communication)

  17. Understanding band gaps of solids in generalized Kohn-Sham theory.

    Science.gov (United States)

    Perdew, John P; Yang, Weitao; Burke, Kieron; Yang, Zenghui; Gross, Eberhard K U; Scheffler, Matthias; Scuseria, Gustavo E; Henderson, Thomas M; Zhang, Igor Ying; Ruzsinszky, Adrienn; Peng, Haowei; Sun, Jianwei; Trushin, Egor; Görling, Andreas

    2017-03-14

    The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. However, the gap in the band structure of the exact multiplicative Kohn-Sham (KS) potential substantially underestimates the fundamental gap, a major limitation of KS density-functional theory. Here, we give a simple proof of a theorem: In generalized KS theory (GKS), the band gap of an extended system equals the fundamental gap for the approximate functional if the GKS potential operator is continuous and the density change is delocalized when an electron or hole is added. Our theorem explains how GKS band gaps from metageneralized gradient approximations (meta-GGAs) and hybrid functionals can be more realistic than those from GGAs or even from the exact KS potential. The theorem also follows from earlier work. The band edges in the GKS one-electron spectrum are also related to measurable energies. A linear chain of hydrogen molecules, solid aluminum arsenide, and solid argon provide numerical illustrations.

  18. Hurricanes Katrina and Rita and the Department of Veterans Affairs: a conceptual model for understanding the evacuation of nursing homes.

    Science.gov (United States)

    Dobalian, Aram; Claver, Maria; Fickel, Jacqueline J

    2010-01-01

    Hurricanes Katrina and Rita exposed significant flaws in US preparedness for catastrophic events and the nation's capacity to respond to them. These flaws were especially evident in the affected disaster areas' nursing homes, which house a particularly vulnerable population of frail older adults. Although evacuation of a healthcare facility is a key preparedness activity, there is limited research on factors that lead to effective evacuation. Our review of the literature on evacuation is focused on developing a conceptual framework to study future evacuations rather than as a comprehensive assessment of prior work. This paper summarizes what is known thus far about disaster response activities of nursing homes following natural and human-caused disasters, describes a conceptual model to guide future inquiry regarding this topic, and suggests future areas of research to further understand the decision-making process of nursing home facilitators regarding evacuating nursing home residents. To demonstrate the utility of the conceptual model and to provide guidance about effective practices and procedures, this paper focuses on the responses of Veterans Health Administration (VHA) nursing homes to the 2 hurricanes. Quarantelli's conceptual framework, as modified by Perry and Mushkatel, is useful in guiding the development of central hypotheses related to the decision-making that occurred in VA nursing homes and other healthcare facilities following Hurricanes Katrina and Rita. However, we define evacuation somewhat differently to account for the fact that evacuation may, in some instances, be permanent. Thus, we propose modifying this framework to improve its applicability beyond preventive evacuation. We need to better understand how disaster plans can be adapted to meet the needs of frail elders and other residents in nursing homes. Moreover, we must address identified gaps in the scientific literature with respect to health outcomes by tracking outcomes over time

  19. Human neuroblastoma cells with acquired resistance to the p53 activator RITA retain functional p53 and sensitivity to other p53 activating agents.

    Science.gov (United States)

    Michaelis, M; Rothweiler, F; Agha, B; Barth, S; Voges, Y; Löschmann, N; von Deimling, A; Breitling, R; Doerr, H Wilhelm; Rödel, F; Speidel, D; Cinatl, J

    2012-04-05

    Adaptation of wild-type p53 expressing UKF-NB-3 cancer cells to the murine double minute 2 inhibitor nutlin-3 causes de novo p53 mutations at high frequency (13/20) and multi-drug resistance. Here, we show that the same cells respond very differently when adapted to RITA, a drug that, like nutlin-3, also disrupts the p53/Mdm2 interaction. All of the 11 UKF-NB-3 sub-lines adapted to RITA that we established retained functional wild-type p53 although RITA induced a substantial p53 response. Moreover, all RITA-adapted cell lines remained sensitive to nutlin-3, whereas only five out of 10 nutlin-3-adapted cell lines retained their sensitivity to RITA. In addition, repeated adaptation of the RITA-adapted sub-line UKF-NB-3(r)RITA(10 μM) to nutlin-3 resulted in p53 mutations. The RITA-adapted UKF-NB-3 sub-lines displayed no or less pronounced resistance to vincristine, cisplatin, and irradiation than nutlin-3-adapted UKF-NB-3 sub-lines. Furthermore, adaptation to RITA was associated with fewer changes at the expression level of antiapoptotic factors than observed with adaptation to nutlin-3. Transcriptomic analyses indicated the RITA-adapted sub-lines to be more similar at the gene expression level to the parental UKF-NB-3 cells than nutlin-3-adapted UKF-NB-3 sub-lines, which correlates with the observed chemotherapy and irradiation sensitivity phenotypes. In conclusion, RITA-adapted cells retain functional p53, remain sensitive to nutlin-3, and display a less pronounced resistance phenotype than nutlin-3-adapted cells.

  20. Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer.

    Science.gov (United States)

    Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura

    2015-08-11

    The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.

  1. Self-consistent predictor/corrector algorithms for stable and efficient integration of the time-dependent Kohn-Sham equation

    Science.gov (United States)

    Zhu, Ying; Herbert, John M.

    2018-01-01

    The "real time" formulation of time-dependent density functional theory (TDDFT) involves integration of the time-dependent Kohn-Sham (TDKS) equation in order to describe the time evolution of the electron density following a perturbation. This approach, which is complementary to the more traditional linear-response formulation of TDDFT, is more efficient for computation of broad-band spectra (including core-excited states) and for systems where the density of states is large. Integration of the TDKS equation is complicated by the time-dependent nature of the effective Hamiltonian, and we introduce several predictor/corrector algorithms to propagate the density matrix, one of which can be viewed as a self-consistent extension of the widely used modified-midpoint algorithm. The predictor/corrector algorithms facilitate larger time steps and are shown to be more efficient despite requiring more than one Fock build per time step, and furthermore can be used to detect a divergent simulation on-the-fly, which can then be halted or else the time step modified.

  2. Superfund oversight. Hearing before the Committee on Environment and Public Works, United States Senate, Ninety-Eighth Congress, First Session to receive testimony from Rita M. Lavelle, February 23, 1983. Part 1

    Energy Technology Data Exchange (ETDEWEB)

    1983-01-01

    Part 1 of the hearing record covers the testimony of Rita M. Lavelle, former Assistant Administrator for Solid Waste and Emergency Response of the Environmental Protection Agency (EPA). Lavelle was asked to respond to charges against her performance and to describe how policy decisions are made at the agency. At issue were criticisms that EPA administrators were obstructing the implementation of environmental laws. Lavelle accused critics of undermining the agency's effectiveness and credibility in their handling of her departure from EPA, and responded to questions on her relationships with agency personnel. (DCK)

  3. Effects of hurricanes Katrina and Rita on the chemistry of bottom sediments in Lake Pontchartrain, Louisiana, USA

    Science.gov (United States)

    Van Metre, P.C.; Horowitz, A.J.; Mahler, B.J.; Foreman, W.T.; Fuller, C.C.; Burkhardt, M.R.; Elrick, K.A.; Furlong, E.T.; Skrobialowski, S.C.; Smith, J.J.; Wilson, J.T.; Zaugg, S.D.

    2006-01-01

    The effects of Hurricanes Katrina and Rita and the subsequent unwatering of New Orleans, Louisiana, on the sediment chemistry of Lake Pontchartrain were evaluated by chemical analysis of samples of street mud and suspended and bottom sediments. The highest concentrations of urban-related elements and compounds (e.g., Pb, Zn, polycyclic aromatic hydrocarbons, and chlordane) in bottom sediments exceeded median concentrations in U.S. urban lakes and sediment-quality guidelines. The extent of the elevated concentrations was limited, however, to within a few hundred meters of the mouth of the 17th Street Canal, similar to results of historical assessments. Chemical and radionuclide analysis of pre- and post-Hurricane Rita samples indicates that remobilization of near-shore sediment by lake currents and storms is an ongoing process. The effects of Hurricanes Katrina and Rita on the sediment chemistry of Lake Pontchartrain are limited spatially and are most likely transitory. ?? 2006 American Chemical Society.

  4. From the Kohn-Sham band gap to the fundamental gap in solids. An integer electron approach.

    Science.gov (United States)

    Baerends, E J

    2017-06-21

    It is often stated that the Kohn-Sham occupied-unoccupied gap in both molecules and solids is "wrong". We argue that this is not a correct statement. The KS theory does not allow to interpret the exact KS HOMO-LUMO gap as the fundamental gap (difference (I - A) of electron affinity (A) and ionization energy (I), twice the chemical hardness), from which it indeed differs, strongly in molecules and moderately in solids. The exact Kohn-Sham HOMO-LUMO gap in molecules is much below the fundamental gap and very close to the much smaller optical gap (first excitation energy), and LDA/GGA yield very similar gaps. In solids the situation is different: the excitation energy to delocalized excited states and the fundamental gap (I - A) are very similar, not so disparate as in molecules. Again the Kohn-Sham and LDA/GGA band gaps do not represent (I - A) but are significantly smaller. However, the special properties of an extended system like a solid make it very easy to calculate the fundamental gap from the ground state (neutral system) band structure calculations entirely within a density functional framework. The correction Δ from the KS gap to the fundamental gap originates from the response part v resp of the exchange-correlation potential and can be calculated very simply using an approximation to v resp . This affords a calculation of the fundamental gap at the same level of accuracy as other properties of crystals at little extra cost beyond the ground state bandstructure calculation. The method is based on integer electron systems, fractional electron systems (an ensemble of N- and (N + 1)-electron systems) and the derivative discontinuity are not invoked.

  5. Damage to offshore infrastructure in the Gulf of Mexico by hurricanes Katrina and Rita

    Science.gov (United States)

    Cruz, A. M.; Krausmann, E.

    2009-04-01

    The damage inflicted by hurricanes Katrina and Rita to the Gulf-of-Mexico's (GoM) oil and gas production, both onshore and offshore, has shown the proneness of industry to Natech accidents (natural hazard-triggered hazardous-materials releases). In order to contribute towards a better understanding of Natech events, we assessed the damage to and hazardous-materials releases from offshore oil and natural-gas platforms and pipelines induced by hurricanes Katrina and Rita. Data was obtained through a review of published literature and interviews with government officials and industry representatives from the affected region. We also reviewed over 60,000 records of reported hazardous-materials releases from the National Response Center's (NRC) database to identify and analyze the hazardous-materials releases directly attributed to offshore oil and gas platforms and pipelines affected by the two hurricanes. Our results show that hurricanes Katrina and Rita destroyed at least 113 platforms, and severely damaged at least 53 others. Sixty percent of the facilities destroyed were built 30 years ago or more prior to the adoption of the more stringent design standards that went into effect after 1977. The storms also destroyed 5 drilling rigs and severely damaged 19 mobile offshore drilling units (MODUs). Some 19 MODUs lost their moorings and became adrift during the storms which not only posed a danger to existing facilities but the dragging anchors also damaged pipelines and other infrastructure. Structural damage to platforms included toppling of sections, and tilting or leaning of platforms. Possible causes for failure of structural and non-structural components of platforms included loading caused by wave inundation of the deck. Failure of rigs attached to platforms was also observed resulting in significant damage to the platform or adjacent infrastructure, as well as damage to equipment, living quarters and helipads. The failures are attributable to tie-down components

  6. Applications of density matrix in the fractional quantum mechanics: Thomas-Fermi model and Hohenberg-Kohn theorems revisited

    International Nuclear Information System (INIS)

    Dong, Jianping

    2011-01-01

    The many-body space fractional quantum system is studied using the density matrix method. We give the new results of the Thomas-Fermi model, obtain the quantum pressure of the free electron gas. We also show the validity of the Hohenberg-Kohn theorems in the space fractional quantum mechanics and generalize the density functional theory to the fractional quantum mechanics. -- Highlights: → Thomas-Fermi model under the framework of fractional quantum mechanics is studied. → We show the validity of the HK theorems in the space fractional quantum mechanics. → The density functional theory is generalized to the fractional quantum mechanics.

  7. Quantum spin correction scheme based on spin-correlation functional for Kohn-Sham spin density functional theory

    International Nuclear Information System (INIS)

    Yamanaka, Shusuke; Takeda, Ryo; Nakata, Kazuto; Takada, Toshikazu; Shoji, Mitsuo; Kitagawa, Yasutaka; Yamaguchi, Kizashi

    2007-01-01

    We present a simple quantum correction scheme for ab initio Kohn-Sham spin density functional theory (KS-SDFT). This scheme is based on a mapping from ab initio results to a Heisenberg model Hamiltonian. The effective exchange integral is estimated by using energies and spin correlation functionals calculated by ab initio KS-SDFT. The quantum-corrected spin-correlation functional is open to be designed to cover specific quantum spin fluctuations. In this article, we present a simple correction for dinuclear compounds having multiple bonds. The computational results are discussed in relation to multireference (MR) DFT, by which we treat the quantum many-body effects explicitly

  8. Computationally simple, analytic, closed form solution of the Coulomb self-interaction problem in Kohn Sham density functional theory

    International Nuclear Information System (INIS)

    Gonis, Antonios; Daene, Markus W.; Nicholson, Don M.; Stocks, George Malcolm

    2012-01-01

    We have developed and tested in terms of atomic calculations an exact, analytic and computationally simple procedure for determining the functional derivative of the exchange energy with respect to the density in the implementation of the Kohn Sham formulation of density functional theory (KS-DFT), providing an analytic, closed-form solution of the self-interaction problem in KS-DFT. We demonstrate the efficacy of our method through ground-state calculations of the exchange potential and energy for atomic He and Be atoms, and comparisons with experiment and the results obtained within the optimized effective potential (OEP) method.

  9. Lessons learned from the deadly sisters: drug and alcohol treatment disruption, and consequences from Hurricanes Katrina and Rita.

    Science.gov (United States)

    Maxwell, Jane Carlisle; Podus, Deborah; Walsh, David

    2009-01-01

    This paper reports on the effects of Hurricanes Katrina and Rita on drug and alcohol treatment in Texas in 2005-2006. Findings are based on a secondary analysis of administrative data on 567 hurricane-related admissions and on interview data from a sample of 20 staff in 11 treatment programs. Katrina evacuees differed from Rita clients in terms of demographics and primary problem substances and treatment needs, while the experiences of program staff and needed changes to improve disaster readiness were more similar. Additional systematic research is needed to document the intermediate and long-term impacts of the storms in these and other affected areas.

  10. Targeting p53 via JNK pathway: a novel role of RITA for apoptotic signaling in multiple myeloma.

    Science.gov (United States)

    Saha, Manujendra N; Jiang, Hua; Yang, Yijun; Zhu, Xiaoyun; Wang, Xiaoming; Schimmer, Aaron D; Qiu, Lugui; Chang, Hong

    2012-01-01

    The low frequency of p53 alterations e.g., mutations/deletions (∼10%) in multiple myeloma (MM) makes this tumor type an ideal candidate for p53-targeted therapies. RITA is a small molecule which can induce apoptosis in tumor cells by activating the p53 pathway. We previously showed that RITA strongly activates p53 while selectively inhibiting growth of MM cells without inducing genotoxicity, indicating its potential as a drug lead for p53-targeted therapy in MM. However, the molecular mechanisms underlying the pro-apoptotic effect of RITA are largely undefined. Gene expression analysis by microarray identified a significant number of differentially expressed genes associated with stress response including c-Jun N-terminal kinase (JNK) signaling pathway. By Western blot analysis we further confirmed that RITA induced activation of p53 in conjunction with up-regulation of phosphorylated ASK-1, MKK-4 and c-Jun. These results suggest that RITA induced the activation of JNK signaling. Chromatin immunoprecipitation (ChIP) analysis showed that activated c-Jun binds to the activator protein-1 (AP-1) binding site of the p53 promoter region. Disruption of the JNK signal pathway by small interfering RNA (siRNA) against JNK or JNK specific inhibitor, SP-600125 inhibited the activation of p53 and attenuated apoptosis induced by RITA in myeloma cells carrying wild type p53. On the other hand, p53 transcriptional inhibitor, PFT-α or p53 siRNA not only inhibited the activation of p53 transcriptional targets but also blocked the activation of c-Jun suggesting the presence of a positive feedback loop between p53 and JNK. In addition, RITA in combination with dexamethasone, known as a JNK activator, displays synergistic cytotoxic responses in MM cell lines and patient samples. Our study unveils a previously undescribed mechanism of RITA-induced p53-mediated apoptosis through JNK signaling pathway and provides the rationale for combination of p53 activating drugs with JNK

  11. Targeting p53 via JNK pathway: a novel role of RITA for apoptotic signaling in multiple myeloma.

    Directory of Open Access Journals (Sweden)

    Manujendra N Saha

    Full Text Available The low frequency of p53 alterations e.g., mutations/deletions (∼10% in multiple myeloma (MM makes this tumor type an ideal candidate for p53-targeted therapies. RITA is a small molecule which can induce apoptosis in tumor cells by activating the p53 pathway. We previously showed that RITA strongly activates p53 while selectively inhibiting growth of MM cells without inducing genotoxicity, indicating its potential as a drug lead for p53-targeted therapy in MM. However, the molecular mechanisms underlying the pro-apoptotic effect of RITA are largely undefined. Gene expression analysis by microarray identified a significant number of differentially expressed genes associated with stress response including c-Jun N-terminal kinase (JNK signaling pathway. By Western blot analysis we further confirmed that RITA induced activation of p53 in conjunction with up-regulation of phosphorylated ASK-1, MKK-4 and c-Jun. These results suggest that RITA induced the activation of JNK signaling. Chromatin immunoprecipitation (ChIP analysis showed that activated c-Jun binds to the activator protein-1 (AP-1 binding site of the p53 promoter region. Disruption of the JNK signal pathway by small interfering RNA (siRNA against JNK or JNK specific inhibitor, SP-600125 inhibited the activation of p53 and attenuated apoptosis induced by RITA in myeloma cells carrying wild type p53. On the other hand, p53 transcriptional inhibitor, PFT-α or p53 siRNA not only inhibited the activation of p53 transcriptional targets but also blocked the activation of c-Jun suggesting the presence of a positive feedback loop between p53 and JNK. In addition, RITA in combination with dexamethasone, known as a JNK activator, displays synergistic cytotoxic responses in MM cell lines and patient samples. Our study unveils a previously undescribed mechanism of RITA-induced p53-mediated apoptosis through JNK signaling pathway and provides the rationale for combination of p53 activating drugs with

  12. Dissolved and colloidal trace elements in the Mississippi River Delta outflow after Hurricanes Katrina and Rita

    Science.gov (United States)

    Shim, Moo-Joon; Swarzenski, Peter W.; Shiller, Alan M.

    2012-01-01

    The Mississippi River delta outflow region is periodically disturbed by tropical weather systems including major hurricanes, which can terminate seasonal bottom water hypoxia and cause the resuspension of shelf bottom sediments which could result in the injection of trace elements into the water column. In the summer of 2005, Hurricanes Katrina and Rita passed over the Louisiana Shelf within a month of each other. Three weeks after Rita, we collected water samples in the Mississippi River delta outflow, examining the distributions of trace elements to study the effect of Hurricanes Katrina and Rita. We observed limited stratification on the shelf and bottom waters that were no longer hypoxic. This resulted, for instance, in bottom water dissolved Mn being lower than is typically observed during hypoxia, but with concentrations still compatible with Mn–O2 trends previously reported. Interestingly, for no element were we able to identify an obvious effect of sediment resuspension on its distribution. In general, elemental distributions were compatible with previous observations in the Mississippi outflow system. Co and Re, which have not been reported for this system previously, showed behavior consistent with other systems: input for Co likely from desorption and conservative mixing for Re. For Cs, an element for which there is little information regarding its estuarine behavior, conservative mixing was also observed. Our filtration method, which allowed us to distinguish the dissolved (<0.02 μm) from colloidal (0.02–0.45 μm) phase, revealed significant colloidal fractions for Fe and Zn, only. For Fe, the colloidal phase was the dominant fraction and was rapidly removed at low salinity. Dissolved Fe, in contrast, persisted out to mid-salinities, being removed in a similar fashion to nitrate. This ability to distinguish the smaller Fe (likely dominantly organically complexed) from larger colloidal suspensates may be useful in better interpreting the

  13. The effect of proximity to hurricanes Katrina and Rita on subsequent hurricane outlook and optimistic bias.

    Science.gov (United States)

    Trumbo, Craig; Lueck, Michelle; Marlatt, Holly; Peek, Lori

    2011-12-01

    This study evaluated how individuals living on the Gulf Coast perceived hurricane risk after Hurricanes Katrina and Rita. It was hypothesized that hurricane outlook and optimistic bias for hurricane risk would be associated positively with distance from the Katrina-Rita landfall (more optimism at greater distance), controlling for historically based hurricane risk and county population density, demographics, individual hurricane experience, and dispositional optimism. Data were collected in January 2006 through a mail survey sent to 1,375 households in 41 counties on the coast (n = 824, 60% response). The analysis used hierarchal regression to test hypotheses. Hurricane history and population density had no effect on outlook; individuals who were male, older, and with higher household incomes were associated with lower risk perception; individual hurricane experience and personal impacts from Katrina and Rita predicted greater risk perception; greater dispositional optimism predicted more optimistic outlook; distance had a small effect but predicted less optimistic outlook at greater distance (model R(2) = 0.21). The model for optimistic bias had fewer effects: age and community tenure were significant; dispositional optimism had a positive effect on optimistic bias; distance variables were not significant (model R(2) = 0.05). The study shows that an existing measure of hurricane outlook has utility, hurricane outlook appears to be a unique concept from hurricane optimistic bias, and proximity has at most small effects. Future extension of this research will include improved conceptualization and measurement of hurricane risk perception and will bring to focus several concepts involving risk communication. © 2011 Society for Risk Analysis.

  14. Dissolved and colloidal trace elements in the Mississippi River delta outflow after Hurricanes Katrina and Rita

    Science.gov (United States)

    Shim, Moo-Joon; Swarzenski, Peter W.; Shiller, Alan M.

    2012-07-01

    The Mississippi River delta outflow region is periodically disturbed by tropical weather systems including major hurricanes, which can terminate seasonal bottom water hypoxia and cause the resuspension of shelf bottom sediments which could result in the injection of trace elements into the water column. In the summer of 2005, Hurricanes Katrina and Rita passed over the Louisiana Shelf within a month of each other. Three weeks after Rita, we collected water samples in the Mississippi River delta outflow, examining the distributions of trace elements to study the effect of Hurricanes Katrina and Rita. We observed limited stratification on the shelf and bottom waters that were no longer hypoxic. This resulted, for instance, in bottom water dissolved Mn being lower than is typically observed during hypoxia, but with concentrations still compatible with Mn-O2 trends previously reported. Interestingly, for no element were we able to identify an obvious effect of sediment resuspension on its distribution. In general, elemental distributions were compatible with previous observations in the Mississippi outflow system. Co and Re, which have not been reported for this system previously, showed behavior consistent with other systems: input for Co likely from desorption and conservative mixing for Re. For Cs, an element for which there is little information regarding its estuarine behavior, conservative mixing was also observed. Our filtration method, which allowed us to distinguish the dissolved (<0.02 μm) from colloidal (0.02-0.45 μm) phase, revealed significant colloidal fractions for Fe and Zn, only. For Fe, the colloidal phase was the dominant fraction and was rapidly removed at low salinity. Dissolved Fe, in contrast, persisted out to mid-salinities, being removed in a similar fashion to nitrate. This ability to distinguish the smaller Fe (likely dominantly organically complexed) from larger colloidal suspensates may be useful in better interpreting the bioavailablity

  15. Review Essay: Auto/Ethnography and Tinsel Town: Nathaniel Kohn's Pursuing Hollywood and How it Relates to My Own Experiences Chasing the Dream of Creating Culture Through Cinema

    Directory of Open Access Journals (Sweden)

    Michael Hemmingson

    2008-07-01

    Full Text Available In Nathaniel KOHN's Pursuing Hollywood, auto/ethnography and interpretive interaction are discussed alongside postmodern sign theory and the machinations of making films in the Hollywood system. Interwoven into this review-essay of KOHN's book are auto/ethnographical elements of the reviewer's personal experiences making an independent film and doing business in what the reviewer refers to as "La La Land." While KOHN's book is meant to be an insider's gaze onto a world few know first-hand, the reviewer has had similar experiences and reads the book as an identifying text and a launch point for his own experiential accounts. URN: urn:nbn:de:0114-fqs080399

  16. Rita Thalmann (1926-2013), Pioneer of Women’s History

    OpenAIRE

    Hoock-Demarle, Marie-Claire

    2017-01-01

    Born in Nuremberg to a German-Jewish father and a Swiss-Jewish mother, Rita Thalmann fled the Nazi regime with her family in 1933, first taking refuge in Switzerland and then in France. After losing both her father (denounced and deported to Auschwitz), and her mother (who died of malnutrition while interned in Dijon), she survived the war through a support network organized by the headmistress of Dijon’s girls’ lycée, Marcelle Pardé, a member of the Resistance later deported to Ravensbrück. ...

  17. External factors impacting hospital evacuations caused by Hurricane Rita: the role of situational awareness.

    Science.gov (United States)

    Downey, Erin L; Andress, Knox; Schultz, Carl H

    2013-06-01

    The 2005 Gulf Coast hurricane season was one of the most costly and deadly in US history. Hurricane Rita stressed hospitals and led to multiple, simultaneous evacuations. This study systematically identified community factors associated with patient movement out of seven hospitals evacuated during Hurricane Rita. This study represents the second of two systematic, observational, and retrospective investigations of seven acute care hospitals that reported off-site evacuations due to Hurricane Rita. Participants from each hospital included decision makers that comprised the Incident Management Team (IMT). Investigators applied a standardized interview process designed to assess evacuation factors related to external situational awareness of community activities during facility evacuation due to hurricanes. The measured outcomes were responses to 95 questions within six sections of the survey instrument. Investigators identified two factors that significantly impacted hospital IMT decision making: (1) incident characteristics affecting a facility's internal resources and challenges; and (2) incident characteristics affecting a facility's external evacuation activities. This article summarizes the latter and reports the following critical decision making points: (1) Emergency Operations Plans (EOP) were activated an average of 85 hours (3 days, 13 hours) prior to Hurricane Rita's landfall; (2) the decision to evacuate the hospital was made an average of 30 hours (1 day, 6 hours) from activation of the EOP; and (3) the implementation of the evacuation process took an average of 22 hours. Coordination of patient evacuations was most complicated by transportation deficits (the most significant of the 11 identified problem areas) and a lack of situational awareness of community response activities. All evacuation activities and subsequent evacuation times were negatively impacted by an overall lack of understanding on the part of hospital staff and the IMT regarding how to

  18. Inelastic neutron scattering experiments with the monochromatic imaging mode of the RITA-II spectrometer

    International Nuclear Information System (INIS)

    Bahl, C.R.H.; Lefmann, K.; Abrahamsen, A.B.; Ronnow, H.M.; Saxild, F.; Jensen, T.B.S.; Udby, L.; Andersen, N.H.; Christensen, N.B.; Jakobsen, H.S.; Larsen, T.; Haefliger, P.S.; Streule, S.; Niedermayer, Ch.

    2006-01-01

    Recently a monochromatic multiple data taking mode has been demonstrated for diffraction experiments using a RITA type cold neutron spectrometer with a multi-bladed analyser and a position-sensitive detector. Here, we show how this mode can be used in combination with a flexible radial collimator to perform real inelastic neutron scattering experiments. We present the results from inelastic powder, single crystal dispersion and single crystal constant energy mapping experiments. The advantages and complications of performing these experiments are discussed along with a comparison between the imaging mode and the traditional monochromatic focussing mode

  19. Inelastic neutron scattering experiments with the monochromatic imaging mode of the RITA-II spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Bahl, C.R.H. [Department of Materials Research, Riso National Laboratory, Building 227, Frederiksborgvej 399, DK-4000 Roskilde (Denmark) and Department of Physics, Technical University of Denmark, DK-2800 Lyngby (Denmark)]. E-mail: christian.bahl@risoe.dk; Lefmann, K. [Department of Materials Research, Riso National Laboratory, Building 227, Frederiksborgvej 399, DK-4000 Roskilde (Denmark)]. E-mail: kim.lefmann@risoe.dk; Abrahamsen, A.B. [Department of Materials Research, Riso National Laboratory, Building 227, Frederiksborgvej 399, DK-4000 Roskilde (Denmark); Ronnow, H.M. [Laboratory for Neutron Scattering, Paul Scherrer Institute, CH-5232 Villigen (Switzerland); Saxild, F. [Department of Materials Research, Riso National Laboratory, Building 227, Frederiksborgvej 399, DK-4000 Roskilde (Denmark); Jensen, T.B.S. [Department of Materials Research, Riso National Laboratory, Building 227, Frederiksborgvej 399, DK-4000 Roskilde (Denmark); Udby, L. [Department of Materials Research, Riso National Laboratory, Building 227, Frederiksborgvej 399, DK-4000 Roskilde (Denmark); Andersen, N.H. [Department of Materials Research, Riso National Laboratory, Building 227, Frederiksborgvej 399, DK-4000 Roskilde (Denmark); Christensen, N.B. [Department of Materials Research, Riso National Laboratory, Building 227, Frederiksborgvej 399, DK-4000 Roskilde (Denmark); Laboratory for Neutron Scattering, Paul Scherrer Institute, CH-5232 Villigen (Switzerland); Jakobsen, H.S. [Niels Bohr Institute for Astronomy, Physics and Geophysics, University of Copenhagen, DK-2100 Copenhagen (Denmark); Larsen, T. [Niels Bohr Institute for Astronomy, Physics and Geophysics, University of Copenhagen, DK-2100 Copenhagen (Denmark); Haefliger, P.S. [Laboratory for Neutron Scattering, Paul Scherrer Institute, CH-5232 Villigen (Switzerland); Streule, S.; Niedermayer, Ch. [Laboratory for Neutron Scattering, Paul Scherrer Institute, CH-5232 Villigen (Switzerland)

    2006-05-15

    Recently a monochromatic multiple data taking mode has been demonstrated for diffraction experiments using a RITA type cold neutron spectrometer with a multi-bladed analyser and a position-sensitive detector. Here, we show how this mode can be used in combination with a flexible radial collimator to perform real inelastic neutron scattering experiments. We present the results from inelastic powder, single crystal dispersion and single crystal constant energy mapping experiments. The advantages and complications of performing these experiments are discussed along with a comparison between the imaging mode and the traditional monochromatic focussing mode.

  20. The RITA spectrometer at Risø - Design considerations and recent results

    DEFF Research Database (Denmark)

    Clausen, K.N.; McMorrow, D.F.; Lefmann, K.

    1998-01-01

    In the new cold triple axis spectrometer RITA at Riso we have improved the front end by extensive use of state of the art optical elements and better shielding material. The analyser system is situated in one large open tank and consists of seven individually orientable PC(002) crystal analyser b...... by a study of the spin fluctuations in the high T-c superconductor La1.83Sr0.17CuO4. (C) 1998 Elsevier Science B.V. All rights reserved....

  1. The Kohn-Luttinger mechanism and phase diagram of the superconducting state in the Shubin-Vonsovsky model

    International Nuclear Information System (INIS)

    Kagan, M. Yu.; Val’kov, V. V.; Mitskan, V. A.; Korovuskin, M. M.

    2013-01-01

    Using the Shubin-Vonsovsky model in the weak-coupling regime W > U > V (W is the bandwidth, U is the Hubbard onsite repulsion, and V is the Coulomb interaction at neighboring sites) based on the Kohn-Luttinger mechanism, we determined the regions of the existence of the superconducting phases with the d xy , p, s, and d x 2 -y 2 symmetry types of the order parameter. It is shown that the effective interaction in the Cooper channel considerably depends not only on single-site but also on intersite Coulomb correlations. This is demonstrated by the example of the qualitative change and complication of the phase diagram of the superconducting state. The superconducting (SC) phase induction mechanism is determined taking into account polarization contributions in the second-order perturbation theory in the Coulomb interaction. The results obtained for the angular dependence of the superconducting gap in different channels are compared with angule-resolved photoemission spectroscopy (ARPES) results. The influence of long-range hops in the phase diagram and critical superconducting transition temperature in different channels is analyzed. The conditions for the appearance of the Kohn-Luttinger superconductivity with the d x 2 -y 2 symmetry and high critical temperatures T c ∼ 100 K near the half-filling are determined

  2. Complex Correlation Kohn-T Method of Calculating Total and Elastic Cross Sections. Part 1; Electron-Hydrogen Elastic Scattering

    Science.gov (United States)

    Bhatia, A. K.; Temkin, A.; Fisher, Richard R. (Technical Monitor)

    2001-01-01

    We report on the first part of a study of electron-hydrogen scattering, using a method which allows for the ab initio calculation of total and elastic cross sections at higher energies. In its general form the method uses complex 'radial' correlation functions, in a (Kohn) T-matrix formalism. The titled method, abbreviated Complex Correlation Kohn T (CCKT) method, is reviewed, in the context of electron-hydrogen scattering, including the derivation of the equation for the (complex) scattering function, and the extraction of the scattering information from the latter. The calculation reported here is restricted to S-waves in the elastic region, where the correlation functions can be taken, without loss of generality, to be real. Phase shifts are calculated using Hylleraas-type correlation functions with up to 95 terms. Results are rigorous lower bounds; they are in general agreement with those of Schwartz, but they are more accurate and outside his error bounds at a couple of energies,

  3. The Kohn-Luttinger mechanism and phase diagram of the superconducting state in the Shubin-Vonsovsky model

    Energy Technology Data Exchange (ETDEWEB)

    Kagan, M. Yu., E-mail: kagan@kapitza.ras.ru [Russian Academy of Sciences, Kapitza Institute for Physical Problems (Russian Federation); Val' kov, V. V.; Mitskan, V. A.; Korovuskin, M. M. [Russian Academy of Sciences, Kirenskii Physics Institute, Siberian Branch (Russian Federation)

    2013-10-15

    Using the Shubin-Vonsovsky model in the weak-coupling regime W > U > V (W is the bandwidth, U is the Hubbard onsite repulsion, and V is the Coulomb interaction at neighboring sites) based on the Kohn-Luttinger mechanism, we determined the regions of the existence of the superconducting phases with the d{sub xy}, p, s, and d{sub x{sup 2}-y{sup 2}} symmetry types of the order parameter. It is shown that the effective interaction in the Cooper channel considerably depends not only on single-site but also on intersite Coulomb correlations. This is demonstrated by the example of the qualitative change and complication of the phase diagram of the superconducting state. The superconducting (SC) phase induction mechanism is determined taking into account polarization contributions in the second-order perturbation theory in the Coulomb interaction. The results obtained for the angular dependence of the superconducting gap in different channels are compared with angule-resolved photoemission spectroscopy (ARPES) results. The influence of long-range hops in the phase diagram and critical superconducting transition temperature in different channels is analyzed. The conditions for the appearance of the Kohn-Luttinger superconductivity with the d{sub x{sup 2}-y{sup 2}} symmetry and high critical temperatures T{sub c} {approx} 100 K near the half-filling are determined.

  4. Structure-function analysis of RBP-J-interacting and tubulin-associated (RITA) reveals regions critical for repression of Notch target genes.

    Science.gov (United States)

    Tabaja, Nassif; Yuan, Zhenyu; Oswald, Franz; Kovall, Rhett A

    2017-06-23

    The Notch pathway is a cell-to-cell signaling mechanism that is essential for tissue development and maintenance, and aberrant Notch signaling has been implicated in various cancers, congenital defects, and cardiovascular diseases. Notch signaling activates the expression of target genes, which are regulated by the transcription factor CSL (CBF1/RBP-J, Su(H), Lag-1). CSL interacts with both transcriptional corepressor and coactivator proteins, functioning as both a repressor and activator, respectively. Although Notch activation complexes are relatively well understood at the structural level, less is known about how CSL interacts with corepressors. Recently, a new RBP-J (mammalian CSL ortholog)-interacting protein termed RITA has been identified and shown to export RBP-J out of the nucleus, thereby leading to the down-regulation of Notch target gene expression. However, the molecular details of RBP-J/RITA interactions are unclear. Here, using a combination of biochemical/cellular, structural, and biophysical techniques, we demonstrate that endogenous RBP-J and RITA proteins interact in cells, map the binding regions necessary for RBP-J·RITA complex formation, and determine the X-ray structure of the RBP-J·RITA complex bound to DNA. To validate the structure and glean more insights into function, we tested structure-based RBP-J and RITA mutants with biochemical/cellular assays and isothermal titration calorimetry. Whereas our structural and biophysical studies demonstrate that RITA binds RBP-J similarly to the RAM (RBP-J-associated molecule) domain of Notch, our biochemical and cellular assays suggest that RITA interacts with additional regions in RBP-J. Taken together, these results provide molecular insights into the mechanism of RITA-mediated regulation of Notch signaling, contributing to our understanding of how CSL functions as a transcriptional repressor of Notch target genes. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

  5. saRNA-guided Ago2 targets the RITA complex to promoters to stimulate transcription.

    Science.gov (United States)

    Portnoy, Victoria; Lin, Szu Hua Sharon; Li, Kathy H; Burlingame, Alma; Hu, Zheng-Hui; Li, Hao; Li, Long-Cheng

    2016-03-01

    Small activating RNAs (saRNAs) targeting specific promoter regions are able to stimulate gene expression at the transcriptional level, a phenomenon known as RNA activation (RNAa). It is known that RNAa depends on Ago2 and is associated with epigenetic changes at the target promoters. However, the precise molecular mechanism of RNAa remains elusive. Using human CDKN1A (p21) as a model gene, we characterized the molecular nature of RNAa. We show that saRNAs guide Ago2 to and associate with target promoters. saRNA-loaded Ago2 facilitates the assembly of an RNA-induced transcriptional activation (RITA) complex, which, in addition to saRNA-Ago2 complex, includes RHA and CTR9, the latter being a component of the PAF1 complex. RITA interacts with RNA polymerase II to stimulate transcription initiation and productive elongation, accompanied by monoubiquitination of histone 2B. Our results establish the existence of a cellular RNA-guided genome-targeting and transcriptional activation mechanism and provide important new mechanistic insights into the RNAa process.

  6. Secondary eyewall formation in WRF simulations of Hurricanes Rita and Katrina (2005)

    Science.gov (United States)

    Abarca, Sergio F.; Corbosiero, Kristen L.

    2011-04-01

    An analysis is presented of two high-resolution hurricane simulations of Katrina and Rita (2005) that exhibited secondary eyewall formation (SEF). The results support the notion of vortex Rossby waves (VRWs) having an important role in SEF and suggest that VRW activity is a defining aspect of the moat. SEF occurs at a radius of ˜65 (80) km in Katrina (Rita), close to the hypothesized stagnation radius of VRWs. VRW activity appears to be the result of eye-eyewall mixing events, themselves a product of the release of barotropic instability. The convection in the radial region that becomes the moat is mainly in the form of VRWs propagating radially outward from the primary eyewall until the negative radial gradient of potential vorticity is no longer conducive for their propagation. These convectively coupled waves, originating and being expelled from the eyewall, are rotation dominated and have the coherency necessary to survive their passage through the strain-dominated region outside the eyewall.

  7. From the incident command center oil spills from Hurricanes Katrina and Rita

    Energy Technology Data Exchange (ETDEWEB)

    Guidry, R.J. [Lousiana Oil Spill Coordinator' s Office, Baton Rouge, LA (United States)

    2006-07-01

    Approximately 30.2 million litres of oil were discharged during Hurricanes Katrina and Rita. A total of 230 incidents were reported to the state's spill response community, including ruptured pipelines, damaged and moved storage tanks, refineries, and sunken vessels. By January 2006, industry had reported the recovery of 14.7 million litres of oil. After Hurricane Rita, a further 234 off- and onshore incidents were reported. This paper presented a chronology from August 26 2005 through to June 2006 of clean-up activities for both hurricanes, with specific reference to logistic and communications issues associated with working in environments that are difficult to access due to damaged transportation infrastructure. An outline of the Louisiana Oil Spill Coordinator's Office's role in the incidents was presented, as well as an overview of the Louisiana State Contingency Plan. It was noted that the lack of communications systems caused considerable difficulties for responders. It was concluded that responses to hurricanes can be made more effective by having all response communities incident command structure (ICS)-trained with a thorough knowledge of the National Response Plan as it relates to the National Contingency Plan. Ensuring that plans are operational, having clear lines of authority on all hurricane-related issues, and having a robust communications plan were recommended, as well as the ability to respond without communications.

  8. The RITA spectrometer at Risø - design considerations and recent results

    Science.gov (United States)

    Clausen, K. N.; McMorrow, D. F.; Lefmann, K.; Aeppli, G.; Mason, T. E.; Schröder, A.; Issikii, M.; Nohara, M.; Takagi, H.

    In the new cold triple axis spectrometer RITA at Risø we have improved the front end by extensive use of state of the art optical elements and better shielding material. The analyser system is situated in one large open tank and consists of seven individually orientable PG(002) crystal analyser blades, and a 170 mm by 120 mm 2 areas sensitive micro-strip detector. In comparison to the old TAS6 spectrometer we have obtained a factor 2-5 gain in intensity on the sample, a substantially lower background, much more flexibility for optimising the instrument and the possibility to go beyond simple point-by-point inspection. The excellent performance of RITA in the standard TAS mode is exemplified by a study of the dynamics of ≈ 15 nm hematite (α-Fe 2O 3) nano-particles, and utilisation of horizontal and vertical focusing modes to study two dimensional systems is illustrated by a study of the spin fluctuations in the high Tc superconductor La 1.83Sr 0.17CuO 4.

  9. From the incident command center oil spills from Hurricanes Katrina and Rita

    International Nuclear Information System (INIS)

    Guidry, R.J.

    2006-01-01

    Approximately 30.2 million litres of oil were discharged during Hurricanes Katrina and Rita. A total of 230 incidents were reported to the state's spill response community, including ruptured pipelines, damaged and moved storage tanks, refineries, and sunken vessels. By January 2006, industry had reported the recovery of 14.7 million litres of oil. After Hurricane Rita, a further 234 off- and onshore incidents were reported. This paper presented a chronology from August 26 2005 through to June 2006 of clean-up activities for both hurricanes, with specific reference to logistic and communications issues associated with working in environments that are difficult to access due to damaged transportation infrastructure. An outline of the Louisiana Oil Spill Coordinator's Office's role in the incidents was presented, as well as an overview of the Louisiana State Contingency Plan. It was noted that the lack of communications systems caused considerable difficulties for responders. It was concluded that responses to hurricanes can be made more effective by having all response communities incident command structure (ICS)-trained with a thorough knowledge of the National Response Plan as it relates to the National Contingency Plan. Ensuring that plans are operational, having clear lines of authority on all hurricane-related issues, and having a robust communications plan were recommended, as well as the ability to respond without communications

  10. Five Describing Factors of Dyslexia

    Science.gov (United States)

    Tamboer, Peter; Vorst, Harrie C. M.; Oort, Frans J.

    2016-01-01

    Two subtypes of dyslexia (phonological, visual) have been under debate in various studies. However, the number of symptoms of dyslexia described in the literature exceeds the number of subtypes, and underlying relations remain unclear. We investigated underlying cognitive features of dyslexia with exploratory and confirmatory factor analyses. A…

  11. Mental Health, Substance Use, and Adaptive Coping among Social Work Students in the Aftermath of Hurricanes Katrina and Rita

    Science.gov (United States)

    Lemieux, Catherine M.; Plummer, Carol A.; Richardson, Roslyn; Simon, Cassandra E.; Ai, Amy L.

    2010-01-01

    The current study examined mental health symptomology, substance use, and adaptive coping among 416 social work students following Hurricanes Katrina and Rita. Among participants, 47% scored at or above the clinical level for depression, with 6% of students showing clinical PTSD-like symptoms, and 16.9% reporting substance use. Two thirds (66.9%)…

  12. Meie seast on lahkunud saksa keele tõlk Rita Tasa : [3.12.1930-16.07.2007

    Index Scriptorium Estoniae

    2007-01-01

    Järelhüüe kirjandusteadlasele, Tartu Ülikooli saksa kirjanduse õppejõule, Tallinna Pedagoogilise Instituudi saksa ja maailmakirjanduse õppejõule, saksa keele kadeedri juhatajale, saksa, šveitsi ning austria kirjanduse tõlkijale Rita Tasale

  13. Rescue of p53 function by small-molecule RITA in cervical carcinoma by blocking E6-mediated degradation.

    Science.gov (United States)

    Zhao, Carolyn Ying; Szekely, Laszlo; Bao, Wenjie; Selivanova, Galina

    2010-04-15

    Proteasomal degradation of p53 by human papilloma virus (HPV) E6 oncoprotein plays a pivotal role in the survival of cervical carcinoma cells. Abrogation of HPV-E6-dependent p53 destruction can therefore be a good strategy to combat cervical carcinomas. Here, we show that a small-molecule reactivation of p53 and induction of tumor cell apoptosis (RITA) is able to induce the accumulation of p53 and rescue its tumor suppressor function in cells containing high-risk HPV16 and HPV18 by inhibiting HPV-E6-mediated proteasomal degradation. RITA blocks p53 ubiquitination by preventing p53 interaction with E6-associated protein, required for HPV-E6-mediated degradation. RITA activates the transcription of proapoptotic p53 targets Noxa, PUMA, and BAX, and repressed the expression of pro-proliferative factors CyclinB1, CDC2, and CDC25C, resulting in p53-dependent apoptosis and cell cycle arrest. Importantly, RITA showed substantial suppression of cervical carcinoma xenografts in vivo. These results provide a proof of principle for the treatment of cervical cancer in a p53-dependent manner by using small molecules that target p53. (c)2010 AACR.

  14. Traumatic Loss and Natural Disaster: A Case Study of a School-Based Response to Hurricanes Katrina and Rita

    Science.gov (United States)

    Clettenberg, Stacey; Gentry, Judy; Held, Matthew; Mock, Lou Ann

    2011-01-01

    This article tracks the trajectory and impact of Hurricanes Katrina and Rita on the communities of Houston/Harris County, Texas, USA, the schools, children, and families; along with the community partnerships that addressed the trauma and upheaval. Following the influx of individuals and families who were displaced by Hurricanes Katrina and Rita…

  15. Positive Traits versus Previous Trauma: Racially Different Correlates with PTSD Symptoms among Hurricane Katrina-Rita Volunteers

    Science.gov (United States)

    Ai, Amy L.; Plummer, Carol; Kanno, Hanae; Heo, Grace; Appel, Hoa B.; Simon, Cassandra E.; Spigner, Clarence

    2011-01-01

    This study compared risks and protective factors for acquiring symptoms of posttraumatic stress disorder (PTSD) between African-American (n = 299) and European-American (n = 206) student volunteers 3 months after Hurricanes Katrina and Rita (H-KR). Respondents retrospectively provided information on peritraumatic emotional reactions and previous…

  16. Targeting MDM2 by the small molecule RITA: towards the development of new multi-target drugs against cancer

    Directory of Open Access Journals (Sweden)

    Espinoza-Fonseca L Michel

    2005-09-01

    Full Text Available Abstract Background The use of low-molecular-weight, non-peptidic molecules that disrupt the interaction between the p53 tumor suppressor and its negative regulator MDM2 has provided a promising alternative for the treatment of different types of cancer. Among these compounds, RITA (reactivation of p53 and induction of tumor cell apoptosis has been shown to be effective in the selective induction of apoptosis, and this effect is due to its binding to the p53 tumor suppressor. Since biological systems are highly dynamic and MDM2 may bind to different regions of p53, new alternatives should be explored. On this basis, the computational "blind docking" approach was employed in this study to see whether RITA would bind to MDM2. Results It was observed that RITA binds to the MDM2 p53 transactivation domain-binding cleft. Thus, RITA can be used as a lead compound for designing improved "multi-target" drugs. This novel strategy could provide enormous benefits to enable effective anti-cancer strategies. Conclusion This study has demonstrated that a single molecule can target at least two different proteins related to the same disease.

  17. RITA can induce cell death in p53-defective cells independently of p53 function via activation of JNK/SAPK and p38.

    Science.gov (United States)

    Weilbacher, A; Gutekunst, M; Oren, M; Aulitzky, W E; van der Kuip, H

    2014-07-10

    Significant advances have been made in the development of small molecules blocking the p53/MDM2 interaction. The Mdm2 inhibitor Nutlin-3 is restricted to tumors carrying wtp53. In contrast, RITA, a compound that binds p53, has recently been shown also to restore transcriptional functions of mtp53. As more than 50% of solid tumors carry p53 mutations, RITA promises to be a more effective therapeutic strategy than Nutlin-3. We investigated effects of RITA on apoptosis, cell cycle and induction of 45 p53 target genes in a panel of 14 cell lines from different tumor entities with different p53 status as well as primary lymphocytes and fibroblasts. Nine cell strains expressed wtp53, four harbored mtp53, and three were characterized by the loss of p53 protein. A significant induction of cell death upon RITA was observed in 7 of 16 cell lines. The nonmalignant cells in our panel were substantially less sensitive. We found that in contrast to Nultin-3, RITA is capable to induce cell death not only in tumor cells harboring wtp53 and mtp53 but also in p53-null cells. Importantly, whereas p53 has a central role for RITA-mediated effects in wtp53 cells, neither p53 nor p63 or p73 were essential for the RITA response in mtp53 or p53-null cells in our panel demonstrating that besides the known p53-dependent action of RITA in wtp53 cells, RITA can induce cell death also independently of p53 in cells harboring defective p53. We identified an important role of both p38 and JNK/SAPK for sensitivity to RITA in these cells leading to a typical caspase- and BAX/BAK-dependent mitochondrial apoptosis. In conclusion, our data demonstrate that RITA can induce apoptosis through p38 and JNK/SAPK not only in tumor cells harboring wtp53 and mtp53 but also in p53-null cells, making RITA an interesting tumor-selective drug.

  18. Procedure to describe clavicular motion.

    Science.gov (United States)

    Gutierrez Delgado, Guivey; De Beule, Matthieu; Ortega Cardentey, Dolgis R; Segers, Patrick; Iznaga Benítez, Arsenio M; Rodríguez Moliner, Tania; Verhegghe, Benedict; Palmans, Tanneke; Van Hoof, Tom; Van Tongel, Alexander

    2017-03-01

    For many years, researchers have attempted to describe shoulder motions by using different mathematical methods. The aim of this study was to describe a procedure to quantify clavicular motion. The procedure proposed for the kinematic analysis consists of 4 main processes: 3 transcortical pins in the clavicle, motion capture, obtaining 3-dimensional bone models, and data processing. Clavicular motion by abduction (30° to 150°) and flexion (55° to 165°) were characterized by an increment of retraction of 27° to 33°, elevation of 25° to 28°, and posterior rotation of 14° to 15°, respectively. In circumduction, clavicular movement described an ellipse, which was reflected by retraction and elevation. Kinematic analysis shows that the articular surfaces move by simultaneously rolling and sliding on the convex surface of the sternum for the 3 movements of abduction, flexion, and circumduction. The use of 3 body landmarks in the clavicle and the direct measurement of bone allowed description of the osteokinematic and arthrokinematic movement of the clavicle. Copyright © 2017 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Elsevier Inc. All rights reserved.

  19. A randomized comparison of the Saphenous Vein Versus Right Internal Thoracic Artery as a Y-Composite Graft (SAVE RITA) trial: One-year angiographic results and mid-term clinical outcomes.

    Science.gov (United States)

    Kim, Ki-Bong; Hwang, Ho Young; Hahn, Seokyung; Kim, Jun Sung; Oh, Se Jin

    2014-09-01

    The Saphenous Vein Versus Right Internal Thoracic Artery as a Y-Composite Graft (SAVE RITA) trial was designed to evaluate the noninferiority of the saphenous vein (SV) compared with the right internal thoracic artery ([R]ITA) used as a Y-composite graft. A total of 224 patients who had undergone off-pump revascularization for multivessel coronary artery disease using the SV or RITA as a Y-composite graft based on the in situ left ITA were assigned randomly to the SV Y-composite graft (SV group, n = 112) or free RITA Y-composite graft (RITA group, n = 112). The primary endpoint was the 1-year angiographic patency rate of the second limb conduits (SV or RITA). Postoperative 1-year coronary angiograms were performed in 215 patients (SV group, 108; RITA group, 107). The overall graft patency rate was 97.4% (745 of 765) at 1 year (97.9% in the SV group vs 96.9% in the RITA group, P = .362). The primary endpoint of the study, the 1-year patency rate of the SV composite grafts, was 97.1% (238 of 245) and was noninferior to that of the RITA composite grafts (97.1% [198 of 204]) with a 95% lower confidence limit of -2.6% (P RITA composite grafts in terms of the 1-year angiographic patency rates. Copyright © 2014 The American Association for Thoracic Surgery. Published by Mosby, Inc. All rights reserved.

  20. p53-dependent inhibition of TrxR1 contributes to the tumor-specific induction of apoptosis by RITA.

    Science.gov (United States)

    Hedström, Elisabeth; Eriksson, Sofi; Zawacka-Pankau, Joanna; Arnér, Elias S J; Selivanova, Galina

    2009-11-01

    Thioredoxin reductase 1 (TrxR1) is a key regulator in many redox-dependent cellular pathways, and is often overexpressed in cancer. Several studies have identified TrxR1 as a potentially important target for anticancer therapy. The low molecular weight compound RITA (NSC 652287) binds p53 and induces p53-dependent apoptosis. Here we found that RITA also targets TrxR1 by non-covalent binding, followed by inhibition of its activity in vitro and by inhibition of TrxR activity in cancer cells. Interestingly, a novel approximately 130 kDa form of TrxR1, presumably representing a stable covalently linked dimer, and an increased generation of reactive oxygen species (ROS) were induced by RITA in cancer cells in a p53-dependent manner. Similarly, the gold-based TrxR inhibitor auranofin induced apoptosis related to oxidative stress, but independently of p53 and without apparent induction of the approximately 130 kDa form of TrxR1. In contrast to the effects observed in cancer cells, RITA did not inhibit TrxR or ROS formation in normal fibroblasts (NHDF). The inhibition of TrxR1 can sensitize tumor cells to agents that induce oxidative stress and may directly trigger cell death. Thus, our results suggest that a unique p53-dependent effect of RITA on TrxR1 in cancer cells might synergize with p53-dependent induction of pro-apoptotic genes and oxidative stress, thereby leading to a robust induction of cancer cell death, without affecting non-transformed cells.

  1. Virial theorem in the Kohn-Sham density-functional theory formalism: Accurate calculation of the atomic quantum theory of atoms in molecules energies

    NARCIS (Netherlands)

    Rodriguez, A.; Ayers, P.W.; Gotz, A.W.; Castillo-Alvarado, F.L.

    2009-01-01

    A new approach for computing the atom-in-molecule [quantum theory of atoms in molecule (QTAIM)] energies in Kohn-Sham density-functional theory is presented and tested by computing QTAIM energies for a set of representative molecules. In the new approach, the contribution for the correlation-kinetic

  2. Describing treatment effects to patients.

    Science.gov (United States)

    Moxey, Annette; O'Connell, Dianne; McGettigan, Patricia; Henry, David

    2003-11-01

    To examine the impact of different presentations of equivalent information (framing) on treatment decisions faced by patients. A systematic review of the published literature was conducted. English language publications allocating participants to different frames were retrieved using electronic and bibliographic searches. Two reviewers examined each article for inclusion, and assessed methodological quality. Study characteristics were tabulated and where possible, relative risks (RR; 95% confidence intervals) were calculated to estimate intervention effects. Thirty-seven articles, yielding 40 experimental studies, were included. Studies examined treatment (N = 24), immunization (N = 5), or health behavior scenarios (N = 11). Overall, active treatments were preferred when outcomes were described in terms of relative rather than absolute risk reductions or number needed to treat. Surgery was preferred to other treatments when treatment efficacy was presented in a positive frame (survival) rather than a negative frame (mortality) (relative risk [RR] = 1.51, 95% confidence interval [CI], 1.39 to 1.64). Framing effects were less obvious for immunization and health behavior scenarios. Those with little interest in the behavior at baseline were influenced by framing, particularly when information was presented as gains. In studies judged to be of good methodological quality and/or examining actual decisions, the framing effect, although still evident, was less convincing compared to the results of all included studies. Framing effects varied with the type of scenario, responder characteristics, scenario manipulations, and study quality. When describing treatment effects to patients, expressing the information in more than one way may present a balanced view to patients and enable them to make informed decisions.

  3. Morphological responses of the Wax Lake Delta, Louisiana, to Hurricanes Rita

    Directory of Open Access Journals (Sweden)

    Fei Xing

    2017-12-01

    Full Text Available This study examines the morphodynamic response of a deltaic system to extreme weather events. The Wax Lake Delta (WLD in Louisiana, USA, is used to illustrate the impact of extreme events (hurricanes on a river-dominated deltaic system. Simulations using the open source Delft3D model reveal that Hurricane Rita, which made landfall 120 km to the west of WLD as a Category 3 storm in 2005, caused erosion on the right side and deposition on the left side of the hurricane eye track on the continental shelf line (water depth 10 m to 50 m. Erosion over a wide area occurred both on the continental shelf line and in coastal areas when the hurricane moved onshore, while deposition occurred along the Gulf coastline (water depth < 5 m when storm surge water moved back offshore. The numerical model estimated that Hurricane Rita’s storm surge reached 2.5 m, with maximum currents of 2.0 m s–1, and wave heights of 1.4 m on the WLD. The northwestern-directed flow and waves induced shear stresses, caused erosion on the eastern banks of the deltaic islands and deposition in channels located west of these islands. In total, Hurricane Rita eroded more than 500,000 m3 of sediments on the WLD area. Including waves in the analysis resulted in doubling the amount of erosion in the study area, comparing to the wave-excluding scenario. The exclusion of fluvial input caused minor changes in deltaic morphology during the event. Vegetation cover was represented as rigid rods in the model which add extra source terms for drag and turbulence to influence the momentum and turbulence equations. Vegetation slowed down the floodwater propagation and decreased flow velocity on the islands, leading to a 47% reduction in the total amount of erosion. Morphodynamic impact of the hurricane track relative to the delta was explored. Simulations indicate that the original track of Hurricane Rita (landfall 120 km west of the WLD produced twice as much erosion and deposition at the delta

  4. Orkaan Rita ähvardab rüüstata USA naftatööstuse südame / Annika Matson

    Index Scriptorium Estoniae

    Matson, Annika, 1976-

    2005-01-01

    Orkaan Rita läheneb USA naftatööstuse südamele Texasele, kus toodetakse veerand USA naftatoodetest. Diagramm: Naftafirmade aktsiate tõus. Vt. samas: Bensiini hinna olulist tõusu Eestis prognoosida oleks ennatlik

  5. Identification of differentially expressed genes associated with the enhancement of X-ray susceptibility by RITA in a hypopharyngeal squamous cell carcinoma cell line (FaDu

    Directory of Open Access Journals (Sweden)

    Luan Jinwei

    2016-06-01

    Full Text Available Next generation sequencing and bio-informatic analyses were conducted to investigate the mechanism of reactivation of p53 and induction of tumor cell apoptosis (RITA-enhancing X-ray susceptibility in FaDu cells.

  6. Kohn-Sham potentials from electron densities using a matrix representation within finite atomic orbital basis sets

    Science.gov (United States)

    Zhang, Xing; Carter, Emily A.

    2018-01-01

    We revisit the static response function-based Kohn-Sham (KS) inversion procedure for determining the KS effective potential that corresponds to a given target electron density within finite atomic orbital basis sets. Instead of expanding the potential in an auxiliary basis set, we directly update the potential in its matrix representation. Through numerical examples, we show that the reconstructed density rapidly converges to the target density. Preliminary results are presented to illustrate the possibility of obtaining a local potential in real space from the optimized potential in its matrix representation. We have further applied this matrix-based KS inversion approach to density functional embedding theory. A proof-of-concept study of a solvated proton transfer reaction demonstrates the method's promise.

  7. Elliptic Preconditioner for Accelerating the Self-Consistent Field Iteration in Kohn--Sham Density Functional Theory

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Lin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Division; Yang, Chao [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Division

    2013-10-28

    We discuss techniques for accelerating the self consistent field (SCF) iteration for solving the Kohn-Sham equations. These techniques are all based on constructing approximations to the inverse of the Jacobian associated with a fixed point map satisfied by the total potential. They can be viewed as preconditioners for a fixed point iteration. We point out different requirements for constructing preconditioners for insulating and metallic systems respectively, and discuss how to construct preconditioners to keep the convergence rate of the fixed point iteration independent of the size of the atomistic system. We propose a new preconditioner that can treat insulating and metallic system in a unified way. The new preconditioner, which we call an elliptic preconditioner, is constructed by solving an elliptic partial differential equation. The elliptic preconditioner is shown to be more effective in accelerating the convergence of a fixed point iteration than the existing approaches for large inhomogeneous systems at low temperature.

  8. RITA enhances irradiation-induced apoptosis in p53-defective cervical cancer cells via upregulation of IRE1α/XBP1 signaling.

    Science.gov (United States)

    Zhu, Hong; Abulimiti, Muyasha; Liu, Huan; Su, Xiang-Jiang; Liu, Cai-Hong; Pei, Hai-Ping

    2015-09-01

    Radiation therapy is the most widely used treatment for patients with cervical cancer. Recent studies have shown that endoplasmic reticulum (ER) stress induces apoptosis and sensitizes tumor cells to radiotherapy, which reportedly induces ER stress in cells. Classical key tumor suppressor p53 is involved in the response to a variety of cellular stresses, including those incurred by ionizing irradiation. A recent study demonstrated that small-molecule RITA (reactivation of p53 and induction of tumor cell apoptosis) increased the radiosensitivity of tumor cells expressing mutant p53 (mtp53). In the present study, we explored the effects and the underlying mechanisms of RITA in regards to the radiosensitivity and ER stress in mtp53-expressing human cervix cancer cells. Treatment with 1 µM of RITA for 24 h before irradiation markedly decreased survival and increased apoptosis in C-33A and HT-3 cells; the effects were not significantly altered by knockdown of p53. In the irradiated C-33A and HT-3 cells, RITA significantly increased the expression of IRE1α, the spliced XBP1 mRNA level, as well as apoptosis; the effects were abolished by knockdown of IRE1α. Transcriptional pulse-chase assays revealed that RITA significantly increased the stability of IRE1α mRNA in the irradiated C-33A and HT-3 cells. In contrast, the same RITA treatment did not show any significant effect on sham-irradiated cells. In conclusion, the present study provides initial evidence that RITA upregulates the expression level of IRE1α by increasing the stability of IRE1α mRNA in irradiated mtp53-expressing cervical cancer cells; the effect leads to enhanced IRE1α/XBP1 ER stress signaling and increased apoptosis in the cells. The present study offers novel insight into the pharmacological potential of RITA in the radiotherapy for cervical cancer.

  9. A Prospective Study of Religiousness and Psychological Distress Among Female Survivors of Hurricanes Katrina and Rita

    Science.gov (United States)

    Rhodes, Jean E.; Pérez, John E.

    2013-01-01

    This prospective study examined the pathways by which religious involvement affected the post-disaster psychological functioning of women who survived Hurricanes Katrina and Rita. The participants were 386 low-income, predominantly Black, single mothers. The women were enrolled in the study before the hurricane, providing a rare opportunity to document changes in mental health from before to after the storm, and to assess the protective role of religious involvement over time. Results of structural equation modeling indicated that, controlling for level of exposure to the hurricanes, pre-disaster physical health, age, and number of children, pre-disaster religiousness predicted higher levels of post-disaster (1) social resources and (2) optimism and sense of purpose. The latter, but not the former, was associated with better post-disaster psychological outcome. Mediation analysis confirmed the mediating role of optimism and sense of purpose. PMID:21626083

  10. Satellite Images and Aerial Photographs of the Effects of Hurricanes Katrina and Rita on Coastal Louisiana

    Science.gov (United States)

    Barras, John A.

    2007-01-01

    Introduction Hurricane Katrina made landfall on the eastern coastline of Louisiana on August 29, 2005; Hurricane Rita made landfall on the western coastline of Louisiana on September 24, 2005. Comparison of Landsat Thematic Mapper (TM) satellite imagery acquired before and after the landfalls of Katrina and Rita and classified to identify land and water demonstrated that water area increased by 217 mi2 (562 km2) in coastal Louisiana as a result of the storms. Approximately 82 mi2 (212 km2) of new water areas were in areas primarily impacted by Hurricane Katrina (Mississippi River Delta basin, Breton Sound basin, Pontchartrain basin, and Pearl River basin), whereas 99 mi2 (256 km2) were in areas primarily impacted by Hurricane Rita (Calcasieu/Sabine basin, Mermentau basin, Teche/Vermilion basin, Atchafalaya basin, and Terrebonne basin). Barataria basin contained new water areas caused by both hurricanes, resulting in some 18 mi2 (46.6 km2) of new water areas. The fresh marsh and intermediate marsh communities' land areas decreased by 122 mi2 (316 km2) and 90 mi2 (233.1 km2), respectively, and the brackish marsh and saline marsh communities' land areas decreased by 33 mi2 (85.5 km2) and 28 mi2 (72.5 km2), respectively. These new water areas represent land losses caused by direct removal of wetlands. They also indicate transitory changes in water area caused by remnant flooding, removal of aquatic vegetation, scouring of marsh vegetation, and water-level variation attributed to normal tidal and meteorological variation between satellite images. Permanent losses cannot be estimated until several growing seasons have passed and the transitory impacts of the hurricanes are minimized. The purpose of this study was to provide preliminary information on water area changes in coastal Louisiana acquired shortly after the landfalls of both hurricanes (detectable with Landsat TM imagery) and to serve as a regional baseline for monitoring posthurricane wetland recovery. The land

  11. The monochromatic imaging mode of a RITA-type neutron spectrometer

    International Nuclear Information System (INIS)

    Bahl, C.R.H.; Andersen, P.; Klausen, S.N.; Lefmann, K.

    2004-01-01

    The imaging monochromatic mode of a neutron spectrometer with a multi-bladed RITA analyser system is so far unexplored. We present analytical calculations that define the mode. It is shown that the mode can be realised for PG (0 0 2) analyser crystals, from incident energies of about 3.2 meV and up, allowing the important cases of 3.7, 5.0 and 13.7 meV. Due to beam divergence, the neutron rays from neighbouring analyser blades are found to overlap slightly. Hence, the optimal use of the monochromatic imaging mode would be found by employing an adjustable radial collimator to limit the spread of the ray from each analyser blade

  12. Bacteriological water quality in the Lake Pontchartrain basin Louisiana following Hurricanes Katrina and Rita, September 2005

    Science.gov (United States)

    Stoeckel, Donald M.; Bushon, Rebecca N.; Demcheck, Dennis K.; Skrobialowski, Stanley C.; Kephart, Christopher M.; Bertke, Erin E.; Mailot, Brian E.; Mize, Scott V.; Fendick, Robert B.

    2005-01-01

    The U.S. Geological Survey (USGS), in collaboration with the Louisiana Department of Environmental Quality, monitored bacteriological quality of water at 22 sites in and around Lake Pontchartrain, La., for three consecutive weeks beginning September 13, 2005, following hurricanes Katrina and Rita and the associated flooding. Samples were collected and analyzed by USGS personnel from the USGS Louisiana Water Science Center and the USGS Ohio Water Microbiology Laboratory. Fecal-indicator bacteria (Escherichia coli, enterococci, and fecal coliform) concentrations ranged from the detection limit to 36,000 colony-forming units per 100 milliliters. Data are presented in tabular form and as plots of data in the context of available historical data and water-quality standards and criteria for each site sampled. Quality-control data were reviewed to ensure that methods performed as expected in a mobile laboratory setting.

  13. A prospective study of religiousness and psychological distress among female survivors of Hurricanes Katrina and Rita.

    Science.gov (United States)

    Chan, Christian S; Rhodes, Jean E; Pérez, John E

    2012-03-01

    This prospective study examined the pathways by which religious involvement affected the post-disaster psychological functioning of women who survived Hurricanes Katrina and Rita. The participants were 386 low-income, predominantly Black, single mothers. The women were enrolled in the study before the hurricane, providing a rare opportunity to document changes in mental health from before to after the storm, and to assess the protective role of religious involvement over time. Results of structural equation modeling indicated that, controlling for level of exposure to the hurricanes, pre-disaster physical health, age, and number of children, pre-disaster religiousness predicted higher levels of post-disaster (1) social resources and (2) optimism and sense of purpose. The latter, but not the former, was associated with better post-disaster psychological outcome. Mediation analysis confirmed the mediating role of optimism and sense of purpose.

  14. Rita Temmerman. Towards New Ways of Terminology Description: The Sociocognitive Approach

    Directory of Open Access Journals (Sweden)

    Rosemarie Gläser

    2011-10-01

    Full Text Available This book appeared as Volume 3 in the Series Terminology and Lexicography Research and Practice edited by Helmi Sonneveld and Sue-Ellen Wright. The author, Rita Temmerman, presently working at the Erasmus Hogeschool, Brussels and specialising in problems of terminology in various domains of the life sciences, presents a polemical, stimulating and innovative monograph which continues and deepens her previous research work. Her doctoral dissertation (Louvain 1998 focused on Terminology Beyond Standardisation: Language and Categorisation in the Life Sciences. The aim of the book under review, Towards New Ways of Terminology Description: The Sociocognitive Approach, is to elaborate a new theory, method and application of terminology research which seeks to overcome the obvious limitations of traditional terminology as chiefly represented by the Vienna School (Eugen W?ster, Helmut Felber, Infoterm and associated institutions.

  15. Rezension zu: Rita Pawlowski (Hg.: „Unsere Frauen stehen ihren Mann“. Berlin: trafo Wissenschaftsverlag 2008

    Directory of Open Access Journals (Sweden)

    Susanne Freund

    2009-07-01

    Full Text Available Rita Pawlowski stellt in diesem Band in alphabethischer Ordnung insgesamt 651 Frauen vor, die Abgeordnete der Volkskammer der DDR waren. Nach einer knappen Einführung zur Wahlhäufigkeit weiblicher Abgeordneter, zum Frauenanteil in der Volkskammer und in den Ausschüssen geben die Biographen im Wesentlichen Auskunft über die soziale Herkunft, die Parteizugehörigkeit, die schulische und berufliche Ausbildung und die Berufstätigkeit der einzelnen Frauen. Ziel dieses Bandes ist die Dokumentation des außergewöhnlichen Engagements von Frauen in der DDR, neben Berufstätigkeit und Familienpflichten politische Einflussmöglichkeiten zu nutzen. Damit wird ein Teilaspekt der Lebensgeschichte dieser Frauen beleuchtet, der – wie die Autorin im Vorfeld einräumt – keinen Anspruch auf Vollständigkeit erhebt. Dieser Hinweis ist wichtig, um dieses lexikalische Nachschlagewerk sinnvoll zu handhaben.

  16. The monochromatic imaging mode of a RITA-type neutron spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Bahl, C.R.H. [Department of Materials Research, Riso National Laboratory, Building 227, Frederiksborgvej 399, DK-4000 Roskilde (Denmark) and Department of Physics, Technical University of Denmark, DK-2800 Lyngby (Denmark)]. E-mail: christian.bahl@risoe.dk; Andersen, P. [Department of Materials Research, Riso National Laboratory, Building 227, Frederiksborgvej 399, DK-4000 Roskilde (Denmark); Niels Bohr Institute for Astronomy, Physics and Geophysics, University of Copenhagen, DK-2100 Copenhagen (Denmark); Klausen, S.N. [Department of Materials Research, Riso National Laboratory, Building 227, Frederiksborgvej 399, DK-4000 Roskilde (Denmark); Lefmann, K. [Department of Materials Research, Riso National Laboratory, Building 227, Frederiksborgvej 399, DK-4000 Roskilde (Denmark)

    2004-12-01

    The imaging monochromatic mode of a neutron spectrometer with a multi-bladed RITA analyser system is so far unexplored. We present analytical calculations that define the mode. It is shown that the mode can be realised for PG (0 0 2) analyser crystals, from incident energies of about 3.2 meV and up, allowing the important cases of 3.7, 5.0 and 13.7 meV. Due to beam divergence, the neutron rays from neighbouring analyser blades are found to overlap slightly. Hence, the optimal use of the monochromatic imaging mode would be found by employing an adjustable radial collimator to limit the spread of the ray from each analyser blade.

  17. Efficient synthesis of RITA and its analogues: derivation of analogues with improved antiproliferative activity via modulation of p53/miR-34a pathway.

    Science.gov (United States)

    Lin, Jinshun; Jin, Xiuli; Bu, Yiwen; Cao, Deliang; Zhang, Nannan; Li, Shangfu; Sun, Qinsheng; Tan, Chunyan; Gao, Chunmei; Jiang, Yuyang

    2012-12-28

    A novel approach to synthesize RITA by practical palladium-catalyzed C-C bond-forming Suzuki reactions at room temperature was developed, which was used for deriving a series of substituted tricyclic α-heteroaryl (furan/thiophene) analogues of RITA under mild conditions. These novel analogues showed notable antiproliferative activity against cancer cell lines with wild-type p53 (i.e., HCT116, A549, MCF-7 and K562), but much less activity in HCT116/p53(-/-) cells. In particular, compound 1f demonstrated promising antiproliferative activity compared to RITA, with IC(50) = 28 nM in MCF-7 vs. 54 nM for RITA, and cancer cell selectivity. Compound 1f markedly activated p53 in HCT116 cells at 100 nM, triggering apoptosis. Importantly, we found that both RITA and compound 1f induced G(0)/G(1) cell cycle arrest by up-regulating miR-34a, which in turn down-regulated the expression of cell cycle-related proteins CDK4 and E2F1. In summary, this study reports an effective synthetic approach for RITA and its analogues, and elucidates a novel antiproliferative mechanism of these compounds.

  18. Initial management of hospital evacuations caused by Hurricane Rita: a systematic investigation.

    Science.gov (United States)

    Downey, Erin L; Andress, Knox; Schultz, Carl H

    2013-06-01

    Hurricanes remain a major threat to hospitals throughout the world. The authors attempted to identify the planning areas that impact hospital management of evacuations and the challenges faced when sheltering-in-place. This observational, retrospective cohort study examined acute care institutions from one hospital system impacted by Hurricane Rita in 2005. Investigators used a standardized survey instrument and interview process, previously used in the hospital evacuation context, to examine hospitals' initial internal situational awareness and subsequent decision making that resulted in evacuation due to Hurricane Rita. Participants from each hospital included representatives from senior leadership and clinical and nonclinical staff that comprised the Incident Management Team (IMT). The main measured outcomes were responses to 95 questions contained in the survey. Seven of ten eligible hospitals participated in the study. All facilities evacuated the sickest patients first. The most significant factors prompting evacuation were the issuing of mandatory evacuation orders, storm dynamics (category, projected path, storm surge), and loss of regional communications. Hospitals that sheltered-in-place experienced staff shortages, interruptions to electrical power, and loss of water supplies. Three fully-evacuated institutions experienced understaffing of 40%-60%, and four hospitals sustained depressed staffing levels for over four weeks. Five hospitals lost electricity for a mean of 4.8 days (range .5-11 days). All facilities continued to receive patients to their Emergency Departments (EDs) while conducting their own evacuation. Hospital EDs should plan for continuous patient arrival during evacuation. Emergency Operation Plans (EOPs) that anticipate challenges associated with evacuation will help to maximize initial decision making and management during a crisis situation. Hospitals that shelter-in-place face critical shortages and must provide independent patient

  19. Mapping and Visualization of Storm-Surge Dynamics for Hurricane Katrina and Hurricane Rita

    Science.gov (United States)

    Gesch, Dean B.

    2009-01-01

    The damages caused by the storm surges from Hurricane Katrina and Hurricane Rita were significant and occurred over broad areas. Storm-surge maps are among the most useful geospatial datasets for hurricane recovery, impact assessments, and mitigation planning for future storms. Surveyed high-water marks were used to generate a maximum storm-surge surface for Hurricane Katrina extending from eastern Louisiana to Mobile Bay, Alabama. The interpolated surface was intersected with high-resolution lidar elevation data covering the study area to produce a highly detailed digital storm-surge inundation map. The storm-surge dataset and related data are available for display and query in a Web-based viewer application. A unique water-level dataset from a network of portable pressure sensors deployed in the days just prior to Hurricane Rita's landfall captured the hurricane's storm surge. The recorded sensor data provided water-level measurements with a very high temporal resolution at surveyed point locations. The resulting dataset was used to generate a time series of storm-surge surfaces that documents the surge dynamics in a new, spatially explicit way. The temporal information contained in the multiple storm-surge surfaces can be visualized in a number of ways to portray how the surge interacted with and was affected by land surface features. Spatially explicit storm-surge products can be useful for a variety of hurricane impact assessments, especially studies of wetland and land changes where knowledge of the extent and magnitude of storm-surge flooding is critical.

  20. The burden of rare cancers in Italy: the surveillance of rare cancers in Italy (RITA) project.

    Science.gov (United States)

    Trama, Annalisa; Mallone, Sandra; Ferretti, Stefano; Meduri, Francesca; Capocaccia, Riccardo; Gatta, Gemma

    2012-01-01

    The project Surveillance of rare cancers in Italy (RITA) provides, for the first time, estimates of the burden of rare cancers in Italy based on the list of rare cancers proposed in collaboration with the European project Surveillance of Rare Cancers in Europe (RARECARE). RITA analyzed data from Italian population-based cancer registries (CR). The period of diagnosis was 1988 to 2002, and vital status information was available up to December 31, 2003. Incidence rates were estimated for the period 1995-2002, survival for the years 2000-2002 (with the period method of Brenner), and complete prevalence at January 1, 2003. Rare cancers are those with an incidence <6/100,000/year. In Italy, every year there are 60,000 new diagnoses of rare cancers corresponding to 15% of all new cancer diagnoses. Five-year relative survival was on the average worse for rare cancers (53%) than for common cancers (73%). A total of 770,000 patients were living in Italy in 2008 with a diagnosis of a rare cancer, 22% of the total cancer prevalence. Our estimates constitute a useful base for further research and support the idea that rare cancers are a public health problem that deserves attention. Centers of expertise for rare cancers that pool cases, expertise and resources could ensure an adequate clinical management for these diseases. Our data also showed that cancer registries are suitable sources of data to estimate incidence, prevalence and survival for rare cancers and should continue to monitoring rare cancers in Italy.

  1. Rita Pawlowski (Hg.: „Unsere Frauen stehen ihren Mann“. Berlin: trafo Wissenschaftsverlag 2008

    Directory of Open Access Journals (Sweden)

    Susanne Freund

    2009-07-01

    Full Text Available Rita Pawlowski stellt in diesem Band in alphabethischer Ordnung insgesamt 651 Frauen vor, die Abgeordnete der Volkskammer der DDR waren. Nach einer knappen Einführung zur Wahlhäufigkeit weiblicher Abgeordneter, zum Frauenanteil in der Volkskammer und in den Ausschüssen geben die Biographen im Wesentlichen Auskunft über die soziale Herkunft, die Parteizugehörigkeit, die schulische und berufliche Ausbildung und die Berufstätigkeit der einzelnen Frauen. Ziel dieses Bandes ist die Dokumentation des außergewöhnlichen Engagements von Frauen in der DDR, neben Berufstätigkeit und Familienpflichten politische Einflussmöglichkeiten zu nutzen. Damit wird ein Teilaspekt der Lebensgeschichte dieser Frauen beleuchtet, der – wie die Autorin im Vorfeld einräumt – keinen Anspruch auf Vollständigkeit erhebt. Dieser Hinweis ist wichtig, um dieses lexikalische Nachschlagewerk sinnvoll zu handhaben.In this volume, Rita Pawlowski alphabetically introduces a total of 651 women who were representatives of the People’s Chamber of the GDR. Following a short introduction to the election frequency of female representatives and to the number of women in the People’s Chamber and its committees, the biographies provide information on the social origin, party membership, educational and occupational training, and professional life of the individual women. The volume’s goal is to document these women’s extraordinary engagement in the GDR, for they not only held careers and fulfilled family duties, but also pursued possibilities for making political impact. The authors note at the outset that the book does not claim to be comprehensive, for it illuminates merely one aspect of the life stories of these women. This remark is important for making the reference work manageable.

  2. Land area change and fractional water maps in the Chenier Plain, Louisiana, following hurricane Rita

    Science.gov (United States)

    Palaseanu-Lovejoy, M.; Kranenburg, C.; Brock, J. C.

    2009-12-01

    The objective of this study is to develop a fractional water map at 30-m resolution scale using QuickBird and/or IKONOS high-resolution imagery as dependent variable to investigate the impact of hurricane Rita in the Chenier Plain, Louisiana. Eleven different indices were tested to obtain a high-resolution land / water classification on QuickBird (acquired on 05/23/2003) and IKONOS (acquired on 03/25/2006) images. The percent area covered by water in the high resolution images varied from 22 to 26% depending on the index used , with the simple ratio index (red band / NIR band) accounting for the lowest percent and the blue ratio index (blue band / sum(all bands)) for the highest percent. Using the ERDAS NLCD (National Land Cover Data) Mapping tool module, 100, 000 stratified random sample points with minimum 1000 points per stratum were selected from the high resolution dependent variable as training information for the independent variable layers. The rules for the regression tree were created using the data mining software Rulequest Cubist v. 2.05. This information was used to generate a fractional water map for the entire Landsat scene. The increase in water areas of about 10 - 15% between 2003 to 2006, as well as temporary changes in the water - land configurations are attributed to remnant flooding and removal of aquatic vegetation caused by hurricane Rita, and water level variations caused by tidal and / or meteorological variations between the acquisition dates of the satellite images. This analysis can assist in monitoring post-hurricane wetland recovery and assess trends in land loss due to extreme storm events, although estimation of permanent land loss cannot be made until wetland areas have the opportunity to recover from hurricane impacts.

  3. O Centro Espírita Redemptor e o tratamento de doença mental, 1910-1921 The Centro Espírita Redemptor and the treatment of mental illness, 1910-1921

    Directory of Open Access Journals (Sweden)

    André de Faria Pereira Neto

    2012-06-01

    Full Text Available O espiritismo é uma doutrina religiosa que surgiu na França durante o século XIX por meio da obra de Allan Kardec. No Brasil, assumiu certa originalidade: o espiritismo racional e científico cristão, liderado por Luiz de Mattos, foi uma de suas vertentes doutrinárias nacionais. Luiz de Mattos criou o Centro Espírita Redemptor onde, durante alguns anos, acompanhou o tratamento dos doentes mentais. O artigo analisa as características do tratamento espírita racional e científico cristão à doença mental e as estratégias que Luiz de Mattos adotou para defender sua forma de tratamento. Apresenta ainda algumas semelhanças e diferenças entre o tratamento espírita e o médico.Spiritism is a religious doctrine originated in France during the nineteenth century through the works of Allan Kardec. In Brazil, it assumed an original configuration: rational and scientific Christian spiritism, pioneered by Luiz de Mattos, was one of the national doctrinal variants. Luiz de Mattos created the Centro Espírita Redemptor where, for some years, he monitored the treatment of the mentally ill. The article analyzes the characteristics of rational and scientific Christian spiritism treatment applied to mental illness and the strategies that Luiz de Mattos adopted to defend his form of treatment. Some similarities and differences between spiritist and medical treatment are also outlined.

  4. A Kiss Lajos-díj 2016. évi nyertese: dr. Póczos Rita [Winner of the 2016 Lajos Kiss Prize: Dr Rita Póczos

    Directory of Open Access Journals (Sweden)

    Hoffmann, István

    2016-12-01

    Full Text Available The Lajos Kiss Prize, awarded every two or three years since 2006, is considered to be a highly prestigious award for young onomasticians. The 2016 winner of the prize is Dr Rita Póczos, senior lecturer at the Department of Hungarian Linguistics of the University of Debrecen. She was given this award for her contribution to Hungarian Historical Onomastics, especially for her research on place names.

  5. UPANJE IN SVOBODA V DELU STEPHENA KINGA RITA HAYWORTH AND SHAWSHANK REDEMPTION IN ALEXANDRE DUMAS GROF MONTE CRISTO

    OpenAIRE

    Kramar, Vesna

    2011-01-01

    Rita Hayworth and Shawshank Redemption Stephena Kinga in Grof Monte Cristo Alexandra Dumasa izhajata iz različnih literarnih žanrov in se razlikujeta v dogajanju, a imata kljub temu podobno motiviko in tematiko. V obeh zgodbah je nedolžen mož poslan v zapor, iz katerega je pobeg skorajda nemogoč, a se kljub temu obema uspe izmuzniti iz zapora na podoben način

  6. Satellite Assessment of Bio-Optical Properties of Northern Gulf of Mexico Coastal Waters Following Hurricanes Katrina and Rita

    OpenAIRE

    Lohrenz, Steven E.; Cai, Wei-Jun; Chen, Xiaogang; Tuel, Merritt

    2008-01-01

    The impacts of major tropical storms events on coastal waters include sediment resuspension, intense water column mixing, and increased delivery of terrestrial materials into coastal waters. We examined satellite imagery acquired by the Moderate Resolution Imaging Spectroradiometer (MODIS) ocean color sensor aboard the Aqua spacecraft following two major hurricane events: Hurricane Katrina, which made landfall on 29 August 2005, and Hurricane Rita, which made landfall on 24 September. MODIS A...

  7. Spatial-temporal water quality parameters evaluation of the Santa Rita river (BA with respect to the release of manipueira

    Directory of Open Access Journals (Sweden)

    Franklin Delano Porto Júnior

    2012-12-01

    Full Text Available The watershed of the river Santa Rita includes the towns of Simão and Campinhos, where exists about 150 flour houses. Campinhos is among the largest cassava processing facilities in the region, generating many direct and indirect jobs. Manipueira is a liquid residue originating from the cassava pressing and presents high pollutant potential due to its high amount of glucose and fructose, this potential is 25 times greater than the one from domestic sewer. This work had as objective the evaluation of possible impacts of manipueira release in the water quality of Santa Rita river. For this, the land use map was elaborated and the physiographic characterization developed, besides being performed six campaigns for water samples collection in four sampling points along the river. The obtained results indicated that the watershed is elongated, with low drainage efficiency and it is not prone to flooding. Estimated water quality parameters indicated that organic effluents from Campinhos and Simão impact the values of dissolved oxygen, electrical conductivity, salinity, ammonia, nitrite, nitrate and zinc, suggesting that the water quality of the river Santa Rita is affected by manipueira release. The concentrations of total phosphorus, iron and cooper were superior downstream of the Sewer Treatment Station. The river water was saline in the three sampling points most affected by the release of manipueira.

  8. Identification of differentially expressed genes associated with the enhancement of X-ray susceptibility by RITA in a hypopharyngeal squamous cell carcinoma cell line (FaDu).

    Science.gov (United States)

    Luan, Jinwei; Li, Xianglan; Guo, Rutao; Liu, Shanshan; Luo, Hongyu; You, Qingshan

    2016-06-01

    Next generation sequencing and bio-informatic analyses were conducted to investigate the mechanism of reactivation of p53 and induction of tumor cell apoptosis (RITA)-enhancing X-ray susceptibility in FaDu cells. The cDNA was isolated from FaDu cells treated with 0 X-ray, 8 Gy X-ray, or 8 Gy X-ray + RITA. Then, cDNA libraries were created and sequenced using next generation sequencing, and each assay was repeated twice. Subsequently, differentially expressed genes (DEGs) were identified using Cuffdiff in Cufflinks and their functions were predicted by pathway enrichment analyses. Genes that were constantly up- or down-regulated in 8 Gy X-ray-treated FaDu cells and 8 Gy X-ray + RITA-treated FaDu cells were obtained as RITA genes. Afterward, the protein-protein interaction (PPI) relationships were obtained from the STRING database and a PPI network was constructed using Cytoscape. Furthermore, ClueGO was used for pathway enrichment analysis of genes in the PPI network. Total 2,040 and 297 DEGs were identified in FaDu cells treated with 8 Gy X-ray or 8 Gy X-ray + RITA, respectively. PARP3 and NEIL1 were enriched in base excision repair, and CDK1 was enriched in p53 signaling pathway. RFC2 and EZH2 were identified as RITA genes. In the PPI network, many interaction relationships were identified (e.g., RFC2-CDK1, EZH2-CDK1 and PARP3-EZH2). ClueGO analysis showed that RFC2 and EZH2 were related to cell cycle. RFC2, EZH2, CDK1, PARP3 and NEIL1 may be associated, and together enhance the susceptibility of FaDu cells treated with RITA to the deleterious effects of X-ray.

  9. Identification of differentially expressed genes associated with the enhancement of X-ray susceptibility by RITA in a hypopharyngeal squamous cell carcinoma cell line (FaDu)

    International Nuclear Information System (INIS)

    Luan, Jinwei; Li, Xianglan; Guo, Rutao; Liu, Shanshan; Luo, Hongyu; You, Qingshan

    2016-01-01

    Next generation sequencing and bio-informatic analyses were conducted to investigate the mechanism of reactivation of p53 and induction of tumor cell apoptosis (RITA)-enhancing X-ray susceptibility in FaDu cells. The cDNA was isolated from FaDu cells treated with 0 X-ray, 8 Gy X-ray, or 8 Gy X-ray + RITA. Then, cDNA libraries were created and sequenced using next generation sequencing, and each assay was repeated twice. Subsequently, differentially expressed genes (DEGs) were identified using Cuffdiff in Cufflinks and their functions were predicted by pathway enrichment analyses. Genes that were constantly up- or down-regulated in 8 Gy X-ray-treated FaDu cells and 8 Gy X-ray + RITA-treated FaDu cells were obtained as RITA genes. Afterward, the protein-protein interaction (PPI) relationships were obtained from the STRING database and a PPI network was constructed using Cytoscape. Furthermore, ClueGO was used for pathway enrichment analysis of genes in the PPI network. Total 2,040 and 297 DEGs were identified in FaDu cells treated with 8 Gy X-ray or 8 Gy X-ray + RITA, respectively. PARP3 and NEIL1 were enriched in base excision repair, and CDK1 was enriched in p53 signaling pathway. RFC2 and EZH2 were identified as RITA genes. In the PPI network, many interaction relationships were identified (e.g., RFC2-CDK1, EZH2-CDK1 and PARP3-EZH2). ClueGO analysis showed that RFC2 and EZH2 were related to cell cycle. RFC2, EZH2, CDK1, PARP3 and NEIL1 may be associated, and together enhance the susceptibility of FaDu cells treated with RITA to the deleterious effects of X-ray

  10. The inclusion of long-range polarisation functions in calculations of low-energy e+-H2 scattering using the Kohn method

    International Nuclear Information System (INIS)

    Armour, E.A.G.; Plummer, M.

    1989-01-01

    An explanation is given of why it is necessary to include long-range polarisation functions in the trial function when carrying out Kohn calculations of low-energy positron (and electron) scattering by atoms and simple molecules. The asymptotic form of these functions in low-energy e + -H 2 scattering is deduced. Appropriate functions with this asymptotic form are used to represent the closed-channel part of the wavefunction in a Kohn calculation of the lowest partial wave of Σ u + symmetry in e + -H 2 scattering at very low energies. For k≤0.03a 0 -1 , the results obtained are in good agreement with those obtained using the Born approximation and the asymptotic forms of the static and polarisation potentials. The relationship is pointed out between this method of taking into account long-range polarisation and the polarised pseudostate method used in R-matrix calculations. (author)

  11. Exploration of near the origin and the asymptotic behaviors of the Kohn-Sham kinetic energy density for two-dimensional quantum dot systems with parabolic confinement

    Science.gov (United States)

    Jana, Subrata; Samal, Prasanjit

    2018-01-01

    The behaviors of the positive definite Kohn-Sham kinetic energy density near the origin and at the asymptotic region play a major role in designing meta-generalized gradient approximations (meta-GGAs) for exchange in low-dimensional quantum systems. It is shown that near the origin of the parabolic quantum dot, the Kohn-Sham kinetic energy differs from its von Weizsäcker counterpart due to the p orbital contributions, whereas in the asymptotic region, the difference between the above two kinetic energy densities goes as ˜ρ/(r ) r2 . All these behaviors have been explored using the two-dimensional isotropic quantum harmonic oscillator as a test case. Several meta-GGA ingredients are then studied by making use of the above findings. Also, the asymptotic conditions for the exchange energy density and the potential at the meta-GGA level are proposed using the corresponding behaviors of the two kinetic energy densities.

  12. Extended application of Kohn-Sham first-principles molecular dynamics method with plane wave approximation at high energy—From cold materials to hot dense plasmas

    International Nuclear Information System (INIS)

    Zhang, Shen; Kang, Wei; Wang, Hongwei; Zhang, Ping; He, X. T.

    2016-01-01

    An extended first-principles molecular dynamics (FPMD) method based on Kohn-Sham scheme is proposed to elevate the temperature limit of the FPMD method in the calculation of dense plasmas. The extended method treats the wave functions of high energy electrons as plane waves analytically and thus expands the application of the FPMD method to the region of hot dense plasmas without suffering from the formidable computational costs. In addition, the extended method inherits the high accuracy of the Kohn-Sham scheme and keeps the information of electronic structures. This gives an edge to the extended method in the calculation of mixtures of plasmas composed of heterogeneous ions, high-Z dense plasmas, lowering of ionization potentials, X-ray absorption/emission spectra, and opacities, which are of particular interest to astrophysics, inertial confinement fusion engineering, and laboratory astrophysics.

  13. Extended application of Kohn-Sham first-principles molecular dynamics method with plane wave approximation at high energy—From cold materials to hot dense plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Shen; Kang, Wei, E-mail: weikang@pku.edu.cn [Center for Applied Physics and Technology, HEDPS, Peking University, Beijing 100871 (China); College of Engineering, Peking University, Beijing 100871 (China); Wang, Hongwei [College of Engineering, Peking University, Beijing 100871 (China); Zhang, Ping, E-mail: zhang-ping@iapcm.ac.cn [Center for Applied Physics and Technology, HEDPS, Peking University, Beijing 100871 (China); LCP, Institute of Applied Physics and Computational Mathematics, Beijing 100088 (China); He, X. T., E-mail: xthe@iapcm.ac.cn [Center for Applied Physics and Technology, HEDPS, and IFSA Collaborative Innovation Center of MoE, Peking University, Beijing 100871 (China); Institute of Applied Physics and Computational Mathematics, Beijing 100088 (China)

    2016-04-15

    An extended first-principles molecular dynamics (FPMD) method based on Kohn-Sham scheme is proposed to elevate the temperature limit of the FPMD method in the calculation of dense plasmas. The extended method treats the wave functions of high energy electrons as plane waves analytically and thus expands the application of the FPMD method to the region of hot dense plasmas without suffering from the formidable computational costs. In addition, the extended method inherits the high accuracy of the Kohn-Sham scheme and keeps the information of electronic structures. This gives an edge to the extended method in the calculation of mixtures of plasmas composed of heterogeneous ions, high-Z dense plasmas, lowering of ionization potentials, X-ray absorption/emission spectra, and opacities, which are of particular interest to astrophysics, inertial confinement fusion engineering, and laboratory astrophysics.

  14. Using Instrument Simulators and a Satellite Database to Evaluate Microphysical Assumptions in High-Resolution Simulations of Hurricane Rita

    Science.gov (United States)

    Hristova-Veleva, S. M.; Chao, Y.; Chau, A. H.; Haddad, Z. S.; Knosp, B.; Lambrigtsen, B.; Li, P.; Martin, J. M.; Poulsen, W. L.; Rodriguez, E.; Stiles, B. W.; Turk, J.; Vu, Q.

    2009-12-01

    Improving forecasting of hurricane intensity remains a significant challenge for the research and operational communities. Many factors determine a tropical cyclone’s intensity. Ultimately, though, intensity is dependent on the magnitude and distribution of the latent heating that accompanies the hydrometeor production during the convective process. Hence, the microphysical processes and their representation in hurricane models are of crucial importance for accurately simulating hurricane intensity and evolution. The accurate modeling of the microphysical processes becomes increasingly important when running high-resolution models that should properly reflect the convective processes in the hurricane eyewall. There are many microphysical parameterizations available today. However, evaluating their performance and selecting the most representative ones remains a challenge. Several field campaigns were focused on collecting in situ microphysical observations to help distinguish between different modeling approaches and improve on the most promising ones. However, these point measurements cannot adequately reflect the space and time correlations characteristic of the convective processes. An alternative approach to evaluating microphysical assumptions is to use multi-parameter remote sensing observations of the 3D storm structure and evolution. In doing so, we could compare modeled to retrieved geophysical parameters. The satellite retrievals, however, carry their own uncertainty. To increase the fidelity of the microphysical evaluation results, we can use instrument simulators to produce satellite observables from the model fields and compare to the observed. This presentation will illustrate how instrument simulators can be used to discriminate between different microphysical assumptions. We will compare and contrast the members of high-resolution ensemble WRF model simulations of Hurricane Rita (2005), each member reflecting different microphysical assumptions

  15. Application of a generalisation of the Kohn variational method to the calculation of cross sections for low-energy positron-hydrogen-molecule scattering

    International Nuclear Information System (INIS)

    Armour, E.A.G.

    1984-01-01

    The phaseshift corresponding to the lowest partial wave and the associated approximation to the total cross section are calculated for low-energy positron-hydrogen-molecule scattering using a generalisation of the Kohn variational method. The trial wavefunction is expressed in terms of confocal elliptical coordinates. Except at incident positron energies below about 2 eV, reasonable agreement with experiment is obtained below the positronium formation threshold at 8.63 eV. (author)

  16. Stability conditions for exact-exchange Kohn-Sham methods and their relation to correlation energies from the adiabatic-connection fluctuation-dissipation theorem.

    Science.gov (United States)

    Bleiziffer, Patrick; Schmidtel, Daniel; Görling, Andreas

    2014-11-28

    The occurrence of instabilities, in particular singlet-triplet and singlet-singlet instabilities, in the exact-exchange (EXX) Kohn-Sham method is investigated. Hessian matrices of the EXX electronic energy with respect to the expansion coefficients of the EXX effective Kohn-Sham potential in an auxiliary basis set are derived. The eigenvalues of these Hessian matrices determine whether or not instabilities are present. Similar as in the corresponding Hartree-Fock case instabilities in the EXX method are related to symmetry breaking of the Hamiltonian operator for the EXX orbitals. In the EXX methods symmetry breaking can easily be visualized by displaying the local multiplicative exchange potential. Examples (N2, O2, and the polyyne C10H2) for instabilities and symmetry breaking are discussed. The relation of the stability conditions for EXX methods to approaches calculating the Kohn-Sham correlation energy via the adiabatic-connection fluctuation-dissipation (ACFD) theorem is discussed. The existence or nonexistence of singlet-singlet instabilities in an EXX calculation is shown to indicate whether or not the frequency-integration in the evaluation of the correlation energy is singular in the EXX-ACFD method. This method calculates the Kohn-Sham correlation energy through the ACFD theorem theorem employing besides the Coulomb kernel also the full frequency-dependent exchange kernel and yields highly accurate electronic energies. For the case of singular frequency-integrands in the EXX-ACFD method a regularization is suggested. Finally, we present examples of molecular systems for which the self-consistent field procedure of the EXX as well as the Hartree-Fock method can converge to more than one local minimum depending on the initial conditions.

  17. Stability conditions for exact-exchange Kohn-Sham methods and their relation to correlation energies from the adiabatic-connection fluctuation-dissipation theorem

    International Nuclear Information System (INIS)

    Bleiziffer, Patrick; Schmidtel, Daniel; Görling, Andreas

    2014-01-01

    The occurrence of instabilities, in particular singlet-triplet and singlet-singlet instabilities, in the exact-exchange (EXX) Kohn-Sham method is investigated. Hessian matrices of the EXX electronic energy with respect to the expansion coefficients of the EXX effective Kohn-Sham potential in an auxiliary basis set are derived. The eigenvalues of these Hessian matrices determine whether or not instabilities are present. Similar as in the corresponding Hartree-Fock case instabilities in the EXX method are related to symmetry breaking of the Hamiltonian operator for the EXX orbitals. In the EXX methods symmetry breaking can easily be visualized by displaying the local multiplicative exchange potential. Examples (N 2 , O 2 , and the polyyne C 10 H 2 ) for instabilities and symmetry breaking are discussed. The relation of the stability conditions for EXX methods to approaches calculating the Kohn-Sham correlation energy via the adiabatic-connection fluctuation-dissipation (ACFD) theorem is discussed. The existence or nonexistence of singlet-singlet instabilities in an EXX calculation is shown to indicate whether or not the frequency-integration in the evaluation of the correlation energy is singular in the EXX-ACFD method. This method calculates the Kohn-Sham correlation energy through the ACFD theorem theorem employing besides the Coulomb kernel also the full frequency-dependent exchange kernel and yields highly accurate electronic energies. For the case of singular frequency-integrands in the EXX-ACFD method a regularization is suggested. Finally, we present examples of molecular systems for which the self-consistent field procedure of the EXX as well as the Hartree-Fock method can converge to more than one local minimum depending on the initial conditions

  18. A self-interaction-free local hybrid functional: Accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvalues

    International Nuclear Information System (INIS)

    Schmidt, Tobias; Kümmel, Stephan; Kraisler, Eli; Makmal, Adi; Kronik, Leeor

    2014-01-01

    We present and test a new approximation for the exchange-correlation (xc) energy of Kohn-Sham density functional theory. It combines exact exchange with a compatible non-local correlation functional. The functional is by construction free of one-electron self-interaction, respects constraints derived from uniform coordinate scaling, and has the correct asymptotic behavior of the xc energy density. It contains one parameter that is not determined ab initio. We investigate whether it is possible to construct a functional that yields accurate binding energies and affords other advantages, specifically Kohn-Sham eigenvalues that reliably reflect ionization potentials. Tests for a set of atoms and small molecules show that within our local-hybrid form accurate binding energies can be achieved by proper optimization of the free parameter in our functional, along with an improvement in dissociation energy curves and in Kohn-Sham eigenvalues. However, the correspondence of the latter to experimental ionization potentials is not yet satisfactory, and if we choose to optimize their prediction, a rather different value of the functional's parameter is obtained. We put this finding in a larger context by discussing similar observations for other functionals and possible directions for further functional development that our findings suggest

  19. The Hartree product and the description of local and global quantities in atomic systems: A study within Kohn-Sham theory

    International Nuclear Information System (INIS)

    Garza, Jorge; Nichols, Jeffrey A.; Dixon, David A.

    2000-01-01

    The Hartree product is analyzed in the context of Kohn-Sham theory. The differential equations that emerge from this theory are solved with the optimized effective potential using the Krieger, Li, and Iafrate approximation, in order to get a local potential as required by the ordinary Kohn-Sham procedure. Because the diagonal terms of the exact exchange energy are included in Hartree theory, it is self-interaction free and the exchange potential has the proper asymptotic behavior. We have examined the impact of this correct asymptotic behavior on local and global properties using this simple model to approximate the exchange energy. Local quantities, such as the exchange potential and the average local electrostatic potential are used to examine whether the shell structure in an atom is revealed by this theory. Global quantities, such as the highest occupied orbital energy (related to the ionization potential) and the exchange energy are also calculated. These quantities are contrasted with those obtained from calculations with the local density approximation, the generalized gradient approximation, and the self-interaction correction approach proposed by Perdew and Zunger. We conclude that the main characteristics in an atomic system are preserved with the Hartree theory. In particular, the behavior of the exchange potential obtained in this theory is similar to those obtained within other Kohn-Sham approximations. (c) 2000 American Institute of Physics

  20. Breakdown of lung framework and an increase in pores of Kohn as initial events of emphysema and a cause of reduction in diffusing capacity.

    Science.gov (United States)

    Yoshikawa, Akira; Sato, Shuntaro; Tanaka, Tomonori; Hashisako, Mikiko; Kashima, Yukio; Tsuchiya, Tomoshi; Yamasaki, Naoya; Nagayasu, Takeshi; Yamamoto, Hiroshi; Fukuoka, Junya

    2016-01-01

    Pulmonary emphysema is the pathological prototype of chronic obstructive pulmonary disease and is also associated with other lung diseases. We considered that observation with different approaches may provide new insights for the pathogenesis of emphysema. We reviewed tissue blocks of the lungs of 25 cases with/without emphysema and applied a three-dimensional observation method to the blocks. Based on the three-dimensional characteristics of the alveolar structure, we considered one face of the alveolar polyhedron as a structural unit of alveoli and called it a framework unit (FU). We categorized FUs based on their morphological characteristics and counted their number to evaluate the destructive changes in alveoli. We also evaluated the number and the area of pores of Kohn in FUs. We performed linear regression analysis to estimate the effect of these data on pulmonary function tests. In multivariable regression analysis, a decrease in the number of FUs without an alveolar wall led to a significant decrease in the diffusing capacity of the lung for carbon monoxide (DLCO) and DLCO per unit alveolar volume, and an increase in the area of pores of Kohn had a significant effect on an increase in residual capacity. A breakdown in the lung framework and an increase in pores of Kohn are associated with a decrease in DLCO and DLCO per unit alveolar volume with/without emphysema.

  1. Combining Kohn-Sham and orbital-free density-functional theory for Hugoniot calculations to extreme pressures.

    Science.gov (United States)

    Sheppard, Daniel; Kress, Joel D; Crockett, Scott; Collins, Lee A; Desjarlais, Michael P

    2014-12-01

    The shock Hugoniot for lithium 6 deuteride ((6)LiD) was calculated via first principles using Kohn-Sham density-functional theory molecular dynamics (KSMD) for temperatures of 0.5-25 eV. The upper limit of 25 eV represents a practical limit where KSMD is no longer computationally feasible due to the number of electronic bands which are required to be populated. To push the Hugoniot calculations to higher temperatures we make use of orbital-free density-functional theory molecular dynamics (OFMD). Thomas-Fermi-Dirac-based OFMD gives a poor description of the electronic structure at low temperatures so the initial state is not well defined. We propose a method of bootstrapping the Hugoniot from OFMD to the Hugoniot from KSMD between 10 and 20 eV, where the two methods are in agreement. The combination of KSMD and OFMD allows construction of a first-principles Hugoniot from the initial state to 1000 eV. Theoretical shock-compression results are in good agreement with available experimental data and exhibit the appropriate high-temperature limits. We show that a unified KSMD-OFMD Hugoniot can be used to assess the quality of the existing equation-of-state (EOS) models and inform better EOS models based on justifiable physics.

  2. Complex Kohn variational principle for two-nucleon bound-state and scattering with the tensor potential

    International Nuclear Information System (INIS)

    Araujo Junior, C.F. de; Adhikari, S.K.; Tomio, L.

    1993-10-01

    Complex Kohn variational principle is applied to the numerical solution of the fully off-shell Lippmann-Schwinger equation for nucleon-nucleon scattering for various partial waves including the coupled 3 S 1 - 3 D 1 channel. Analytic expressions are obtained for all the integrals in the method for a suitable choice of expansion functions. Calculations with the partial waves 1 S 0 , 1 P 1 , 1 D 2 , and 3 S 1 - 3 D 1 of the Reid soft core potential show that the method converges faster than other solution schemes not only for the phase shift but also for the off-shell t matrix elements. It is also shown that its is trivial to modify this variational principle in order to make it suitable for bound-stage calculations. The bound-state approach is illustrated for the 3 S 1 - 3 D 1 channel of the Reid soft-core potential for calculating the deuteron binding, wave function and the D state asymptotic parameters. (author)

  3. SQDFT: Spectral Quadrature method for large-scale parallel O(N) Kohn-Sham calculations at high temperature

    Science.gov (United States)

    Suryanarayana, Phanish; Pratapa, Phanisri P.; Sharma, Abhiraj; Pask, John E.

    2018-03-01

    We present SQDFT: a large-scale parallel implementation of the Spectral Quadrature (SQ) method for O(N) Kohn-Sham Density Functional Theory (DFT) calculations at high temperature. Specifically, we develop an efficient and scalable finite-difference implementation of the infinite-cell Clenshaw-Curtis SQ approach, in which results for the infinite crystal are obtained by expressing quantities of interest as bilinear forms or sums of bilinear forms, that are then approximated by spatially localized Clenshaw-Curtis quadrature rules. We demonstrate the accuracy of SQDFT by showing systematic convergence of energies and atomic forces with respect to SQ parameters to reference diagonalization results, and convergence with discretization to established planewave results, for both metallic and insulating systems. We further demonstrate that SQDFT achieves excellent strong and weak parallel scaling on computer systems consisting of tens of thousands of processors, with near perfect O(N) scaling with system size and wall times as low as a few seconds per self-consistent field iteration. Finally, we verify the accuracy of SQDFT in large-scale quantum molecular dynamics simulations of aluminum at high temperature.

  4. Smoothing of Transport Plans with Fixed Marginals and Rigorous Semiclassical Limit of the Hohenberg-Kohn Functional

    Science.gov (United States)

    Cotar, Codina; Friesecke, Gero; Klüppelberg, Claudia

    2018-06-01

    We prove rigorously that the exact N-electron Hohenberg-Kohn density functional converges in the strongly interacting limit to the strictly correlated electrons (SCE) functional, and that the absolute value squared of the associated constrained search wavefunction tends weakly in the sense of probability measures to a minimizer of the multi-marginal optimal transport problem with Coulomb cost associated to the SCE functional. This extends our previous work for N = 2 ( Cotar etal. in Commun Pure Appl Math 66:548-599, 2013). The correct limit problem has been derived in the physics literature by Seidl (Phys Rev A 60 4387-4395, 1999) and Seidl, Gorigiorgi and Savin (Phys Rev A 75:042511 1-12, 2007); in these papers the lack of a rigorous proofwas pointed out.We also give amathematical counterexample to this type of result, by replacing the constraint of given one-body density—an infinite dimensional quadratic expression in the wavefunction—by an infinite-dimensional quadratic expression in the wavefunction and its gradient. Connections with the Lawrentiev phenomenon in the calculus of variations are indicated.

  5. Exact and approximate exchange potentials investigated in terms of their matrix elements with the Kohn-Sham orbitals

    International Nuclear Information System (INIS)

    Holas, A.; Cinal, M.

    2005-01-01

    Three approximate exchange potentials of high accuracy v x Y (r), Y=A,B,C, for the density-functional theory applications are obtained by replacing the matrix elements of the exact potential between the Kohn-Sham (KS) orbitals with such elements of the Fock exchange operator (within the virtual-occupied subset only) in three representations found for any local potential. A common identity is the base of these representations. The potential v x C happens to be the same as that derived by Harbola and Sahni, and v x A as that derived by Gritsenko and Baerends, and Della Sala and Goerling. The potentials obtained can be expressed in terms of occupied KS orbitals only. At large r, their asymptotic form -1/r is the same as that of the exact potential. The high quality of these three approximations is demonstrated by direct comparison with the exact potential and using various consistency tests. A common root established for the three approximations could be helpful in finding new and better approximations via modification of identities employed in the present investigation

  6. Use of Temporary Immersion System (RITA in sugarcane the plants propagation by organogenesis

    Directory of Open Access Journals (Sweden)

    Laisyn Posada-Pérez

    2003-01-01

    Full Text Available The present work had as objective to study the possibilities to use the RITA, in the micropropagation plant via axillary buds of sugarcane and of the banana hybrid (Musa sp. AAAA cv. FHIA-01 and AAAB cv. FHIA-18. Two different culture medium i.e. multiplication and thickenment were studied in the multiplication phase of two varieties of sugarcane. It was also studied the number of initial explants to use (two, four and six, using as control flasks with explants liquid and semisolid medium. The number of immersions in 24 hours was analysed and also the time for culture media change was determined testing two periods, 15 days and 30 days respectively. Similar variables were studied for the case of the banana cultivar except for the medium culture. It was obtained like half of more appropriate cultivation for sugarcane that of multiplication with two explants, in the two used varieties, not presenting significant differences the times of change of half made to the 15 and 30 days. For the case of the banana cultivar employment of five explantes for FHIA-01 and three or five explantes for FHIA-18 to begin the multiplication allowed to reach the best results. Regarding the number of immersions it presented bigger superiority the treatment of three immersions during 24 hours, for both banana cultivars. Keys words: liquid medium, micropropagation, Musa, Saccharum

  7. Changes in microbial community structure in the wake of Hurricanes Katrina and Rita.

    Science.gov (United States)

    Amaral-Zettler, Linda A; Rocca, Jennifer D; Lamontagne, Michael G; Dennett, Mark R; Gast, Rebecca J

    2008-12-15

    Hurricanes have the potential to alter the structures of coastal ecosystems and generate pathogen-laden floodwaters thatthreaten public health. To examine the impact of hurricanes on urban systems, we compared microbial community structures in samples collected after Hurricane Katrina and before and after Hurricane Rita. We extracted environmental DNA and sequenced small-subunit rRNA (SSU rRNA) gene clone libraries to survey microbial communities in floodwater, water, and sediment samples collected from Lake Charles, Lake Pontchartrain, the 17th Street and Industrial Canals in New Orleans, and raw sewage. Correspondence analysis showed that microbial communities associated with sediments formed one cluster while communities associated with lake and Industrial Canal water formed a second. Communities associated with water from the 17th Street Canal and floodwaters collected in New Orleans showed similarity to communities in raw sewage and contained a number of sequences associated with possible pathogenic microbes. This suggests that a distinct microbial community developed in floodwaters following Hurricane Katrina and that microbial community structures as a whole might be sensitive indicators of ecosystem health and serve as "sentinels" of water quality in the environment.

  8. Promoting mental health recovery after hurricanes Katrina and Rita: what can be done at what cost.

    Science.gov (United States)

    Schoenbaum, Michael; Butler, Brittany; Kataoka, Sheryl; Norquist, Grayson; Springgate, Benjamin; Sullivan, Greer; Duan, Naihua; Kessler, Ronald C; Wells, Kenneth

    2009-08-01

    Concerns about mental health recovery persist after the 2005 Gulf storms. We propose a recovery model and estimate costs and outcomes. To estimate the costs and outcomes of enhanced mental health response to large-scale disasters using the 2005 Gulf storms as a case study. Decision analysis using state-transition Markov models for 6-month periods from 7 to 30 months after disasters. Simulated movements between health states were based on probabilities drawn from the clinical literature and expert input. A total of 117 counties/parishes across Louisiana, Mississippi, Alabama, and Texas that the Federal Emergency Management Agency designated as eligible for individual relief following hurricanes Katrina and Rita. Hypothetical cohort, based on the size and characteristics of the population affected by the Gulf storms. Intervention Enhanced mental health care consisting of evidence-based screening, assessment, treatment, and care coordination. Morbidity in 6-month episodes of mild/moderate or severe mental health problems through 30 months after the disasters; units of service (eg, office visits, prescriptions, hospital nights); intervention costs; and use of human resources. Full implementation would cost $1133 per capita, or more than $12.5 billion for the affected population, and yield 94.8% to 96.1% recovered by 30 months, but exceed available provider capacity. Partial implementation would lower costs and recovery proportionately. Evidence-based mental health response is feasible, but requires targeted resources, increased provider capacity, and advanced planning.

  9. Somatic experiencing treatment with social service workers following Hurricanes Katrina and Rita.

    Science.gov (United States)

    Leitch, M Laurie; Vanslyke, Jan; Allen, Marisa

    2009-01-01

    In a disaster, social service workers are often survivors themselves.This study examines whether somatic intervention using a brief (one to two session) stabilization model now called the Trauma Resiliency Model (TRM), which uses the skills of Somatic Experiencing (SE), can reduce the postdisaster symptoms of social service workers involved in postdisaster service delivery.The study was implemented with a nonrandom sample of 142 social service workers who were survivors of Hurricanes Katrina and Rita in New Orleans and Baton Rouge, Louisiana, two to three months after the disasters. Ninety-one participants received SE/TRM and were compared with a matched comparison group of 51 participants through the use of propensity score matching. All participants first received group psychoeducation. Results support the benefits of the brief intervention inspired by SE. The treatment group showed statistically significant gains in resiliency indicators and decreases in posttraumatic stress disorder symptoms. Although psychological symptoms increased in both groups at the three to four month follow-up, the treatment group's psychological symptoms were statistically lower than those of the comparison group.

  10. Lead distributions and risks in New Orleans following Hurricanes Katrina and Rita.

    Science.gov (United States)

    Abel, Michael T; Cobb, George P; Presley, Steven M; Ray, Gary L; Rainwater, Thomas R; Austin, Galen P; Cox, Stephen B; Anderson, Todd A; Leftwich, Blair D; Kendall, Ronald J; Suedel, Burton C

    2010-07-01

    During the last four years, significant effort has been devoted to understanding the effects that Hurricanes Katrina and Rita had on contaminant distribution and redistribution in New Orleans, Louisiana, USA, and the surrounding Gulf Coast area. Elevated concentrations were found for inorganic contaminants (including As, Fe, Pb, and V), several organic pollutants (polycyclic aromatic hydrocarbons, pesticides, and volatiles) and high concentration of bioaerosols, particularly Aeromonas and Vibrio. Data from different research groups confirm that some contaminant concentrations are elevated, that existing concentrations are similar to historical data, and that contaminants such as Pb and As may pose human health risks. Two data sets have been compiled in this article to serve as the foundation for preliminary risk assessments within greater New Orleans. Research from the present study suggests that children in highly contaminated areas of New Orleans may experience Pb exposure from soil ranging from 1.37 microg/d to 102 microg/d. These data are critical in the evaluation of children's health. Copyright (c) 2010 SETAC.

  11. The effects of hurricane Rita and subsequent drought on alligators in southwest Louisiana.

    Science.gov (United States)

    Lance, Valentine A; Elsey, Ruth M; Butterstein, George; Trosclair, Phillip L; Merchant, Mark

    2010-02-01

    Hurricane Rita struck the coast of southwest Louisiana in September 2005. The storm generated an enormous tidal surge of approximately four meters in height that inundated many thousands of acres of the coastal marsh with full strength seawater. The initial surge resulted in the deaths of a number of alligators and severely stressed those who survived. In addition, a prolonged drought (the lowest rainfall in 111 years of recorded weather data) following the hurricane resulted in highly saline conditions that persisted in the marsh for several months. We had the opportunity to collect 11 blood samples from alligators located on Holly Beach less than a month after the hurricane, but were unable to collect samples from alligators on Rockefeller Wildlife Refuge until February 2006. Conditions at Rockefeller Refuge did not permit systematic sampling, but a total of 201 samples were collected on the refuge up through August 2006. The blood samples were analyzed for sodium, potassium, chloride, osmolality, and corticosterone. Blood samples from alligators sampled on Holly Beach in October 2005, showed a marked elevation in plasma osmolality, sodium, chloride, potassium, corticosterone, and an elevated heterophil/lymphocyte ratio. Blood samples from alligators on Rockefeller Refuge showed increasing levels of corticosterone as the drought persisted and elevated osmolality and electrolytes. After substantial rainfall in July and August, these indices of osmotic stress returned to within normal limits. (c) 2009 Wiley-Liss, Inc.

  12. Ethnobotanical study of medicinal plants in the community of Santa Rita, Ituiutaba – Minas Gerais, Brazil

    Directory of Open Access Journals (Sweden)

    Glaucieli Siqueira Parreira Alves

    2013-09-01

    Full Text Available This paper aimed to inventory the plants used in popular medicine by members of the rural community of Santa Rita, in the town of Ituiutaba, Minas Gerais, Brazil. The evaluation was carried out through interviews, with a semi-structured questionnaire and subsequent collection of the plants indicated by informants. One conducted 47 interviews and 127 species were listed, belonging to 55 Angiosperm families. For obtaining the quantitative data, one calculated the percentage of the Main Use Concordance (cMUC of each species; for identifying the therapeutic indications with greater importance, one used the Informant Consensus Factor (ICF. The cMUC showed that 5.5% of the plants mentioned are widely used by the community. The predominant botanical families registered were Lamiaceae and Asteraceae, with 14 and 13 records, respectively. The indication of predominant use mainly involved illnesses related to an emotional disorder, as indicated by the ICF. One emphasizes that 60.7% of the plants mentioned in this paper are exotic species; thus, there’s a need for further studies in order to catalogue knowledge on the medicinal plants which are native to this region.

  13. Recovery Migration after Hurricanes Katrina and Rita: Spatial Concentration and Intensification in the Migration System

    Science.gov (United States)

    Fussell, Elizabeth; DeWaard, Jack

    2015-01-01

    Changes in the human migration systems of Hurricane Katrina- and Rita-affected Gulf of Mexico coastline counties provide an example of how climate change may affect coastal populations. Crude climate change models predict a mass migration of “climate refugees,” but an emerging literature on environmental migration suggests most migration will be short-distance and short-duration within existing migration systems, with implications for the population recovery of disaster-struck places. In this research, we derive a series of hypotheses on recovery migration predicting how the migration system of hurricane-affected coastline counties in the Gulf of Mexico was likely to have changed between the pre-disaster and the recovery periods. We test these hypotheses using data from the Internal Revenue Service on annual county-level migration flows, comparing the recovery period migration system (2007–2009) to the pre-disaster period (1999–2004). By observing county-to-county ties and flows we find that recovery migration was strong, as the migration system of the disaster-affected coastline counties became more spatially concentrated while flows within it intensified and became more urbanized. Our analysis demonstrates how migration systems are likely to be affected by the more intense and frequent storms anticipated by climate change scenarios with implications for the population recovery of disaster-affected places. PMID:26084982

  14. Recovery Migration After Hurricanes Katrina and Rita: Spatial Concentration and Intensification in the Migration System.

    Science.gov (United States)

    Curtis, Katherine J; Fussell, Elizabeth; DeWaard, Jack

    2015-08-01

    Changes in the human migration systems of the Gulf of Mexico coastline counties affected by Hurricanes Katrina and Rita provide an example of how climate change may affect coastal populations. Crude climate change models predict a mass migration of "climate refugees," but an emerging literature on environmental migration suggests that most migration will be short-distance and short-duration within existing migration systems, with implications for the population recovery of disaster-stricken places. In this research, we derive a series of hypotheses on recovery migration predicting how the migration system of hurricane-affected coastline counties in the Gulf of Mexico was likely to have changed between the pre-disaster and the recovery periods. We test these hypotheses using data from the Internal Revenue Service on annual county-level migration flows, comparing the recovery period migration system (2007-2009) with the pre-disaster period (1999-2004). By observing county-to-county ties and flows, we find that recovery migration was strong: the migration system of the disaster-affected coastline counties became more spatially concentrated, while flows within it intensified and became more urbanized. Our analysis demonstrates how migration systems are likely to be affected by the more intense and frequent storms anticipated by climate change scenarios, with implications for the population recovery of disaster-affected places.

  15. Nephrologic Impact of Hurricanes Katrina and Rita in Areas Not Directly Affected.

    Science.gov (United States)

    Dossabhoy, Neville R; Qadri, Mashood; Beal, Lauren M

    2015-01-01

    Hurricanes Katrina and Rita resulted in enormous loss of life and disrupted the delivery of health care in areas affected by them. In causing mass movements of patients, natural disasters can overwhelm the resources of nephrology communities in areas not suffering direct damage. The following largely personal account evaluates the impact these hurricanes had upon the nephrology community, patients and health care providers alike, in areas not directly affected by the storms. Mass evacuation of hundreds of dialysis patients to surrounding areas overwhelmed the capacity of local hemodialysis centers. Non-availability of medical records in patients arriving without a supply of their routine medications led to confusion and sub-optimal treatment of conditions such as hypertension and congestive heart failure. Availability of cadaveric organs for transplantation was reduced in the surrounding areas, as the usual lines of communication and transportation were severed for several weeks. All of these issues led to prolong waiting times for patients on the transplant list. The hurricanes severely disrupted usual supply lines of medications to hospitals; certain rare conditions may be seen in higher numbers as a result of the shortages induced. We present the interesting surge in cases of acute kidney injury secondary to use of intravenous immune globulin.

  16. Tres cartas para la traición de Rita Hayworth

    Directory of Open Access Journals (Sweden)

    José Amícola

    1996-11-01

    Full Text Available El artículo trata la relación entre los manuscritos previos a la escritura de la primera novela de Manuel Puig y la novela terminada [de 1968]. El capítulo inserto cerca del final de la novela [en forma de'carta anónima'] habla asimismo de la voluntad de conformar una estructura armónica, donde surja un movimiento bipolar de ritmo distendido versus otro agitado, a la vez que obliga a la participación del lector en la tarea de la identidad del presunto remitente del anónimo. La segunda carta analizada [el último capítulo de la novela] nos lleva al centro de una crítica genética en la que se evidencia el trabajo de pulimiento del broche final, como clave de todo el texto. La tercera carta analizada aquí [borrador de carta del escritor a la actriz Rita Hayworth, de 1966], es un paratexto [es decir: un texto no ficcional independiente]. El borrador de esa carta a la actriz que da nombre a la obra sirve al geneticista como piedra de toque para descubrir la intención autorial con respecto al núcleo argumental de la novela, un núcleo que los esquemas pre-textuales anunciaban como 'la verdad'

  17. Os Episódios de Rita Patrício

    Directory of Open Access Journals (Sweden)

    Gustavo Rubim

    2014-12-01

    O texto propõe uma leitura do livro Episódios: da teorização estética em Fernando Pessoa, da au­toria de Rita Patrício. Datado de 2012, o livro só ficou realmente pronto e publicado em 2014. A leitura de­fende a originalidade deste exame minucioso dos textos de teoria estética e literária de Fernando Pessoa, tanto pela maneira como os trata autonomamente da obra poética e os estuda na sua escrita específica, quanto pelo efeito de deslocação dos tópicos habituais na análise do programa modernista português. A crí­tica do idealismo pessoano e da noção de obra enquanto totalidade or­gânica são sublinhados enquanto gestos condutores de toda a pesquisa. Propõem-se articulações com outros ensaios recentes que em Portugal procedem à revisão da crítica e da hermenêutica pes­soana.

  18. In vitro propagation of Phalaenopsis (Orchidaceae from protocorms, using the temporary inmersion system "RITA"

    Directory of Open Access Journals (Sweden)

    Jorge Mario Tirado

    2005-01-01

    Full Text Available In order to massively propagate Phalaenopsis orchids, three months old in vitro protocorms were transferred to RITA® vessels. The evaluation factors were the sucrose concentration in the culture medium and the frequency immersion. There was a set of five pairs of RITA® vessels with liquid culture medium containing sucrose at 0,15, 30, 45, 60 g/L. A half-strength MS medium plus vitamins, supplemented with vitamins and thidiazuron (5 mg/L was used. The experiment had two stages, each lasting two months. Each stage had a one minute immersion. The first stage had a four hour immersion frequency and the second one had an eight hour immersion frequency. Results showed that the best proliferating response was reached in a 15 g/L of sucrose medium with one minute of immersion time every four hours, resulting in 8,2 adventitious protocorms per protocorm per month. Key words: Phalaenopsis, protocorm, in vitro propagation, temporary immersion, RITA.

  19. Impacts of Hurricanes Katrina and Rita on the microbial landscape of the New Orleans area.

    Science.gov (United States)

    Sinigalliano, C D; Gidley, M L; Shibata, T; Whitman, D; Dixon, T H; Laws, E; Hou, A; Bachoon, D; Brand, L; Amaral-Zettler, L; Gast, R J; Steward, G F; Nigro, O D; Fujioka, R; Betancourt, W Q; Vithanage, G; Mathews, J; Fleming, L E; Solo-Gabriele, H M

    2007-05-22

    Floodwaters in New Orleans from Hurricanes Katrina and Rita were observed to contain high levels of fecal indicator bacteria and microbial pathogens, generating concern about long-term impacts of these floodwaters on the sediment and water quality of the New Orleans area and Lake Pontchartrain. We show here that fecal indicator microbe concentrations in offshore waters from Lake Pontchartrain returned to prehurricane concentrations within 2 months of the flooding induced by these hurricanes. Vibrio and Legionella species within the lake were more abundant in samples collected shortly after the floodwaters had receded compared with samples taken within the subsequent 3 months; no evidence of a long-term hurricane-induced algal bloom was observed. Giardia and Cryptosporidium were detected in canal waters. Elevated levels of fecal indicator bacteria observed in sediment could not be solely attributed to impacts from floodwaters, as both flooded and nonflooded areas exhibited elevated levels of fecal indicator bacteria. Evidence from measurements of Bifidobacterium and bacterial diversity analysis suggest that the fecal indicator bacteria observed in the sediment were from human fecal sources. Epidemiologic studies are highly recommended to evaluate the human health effects of the sediments deposited by the floodwaters.

  20. Inability of p53-reactivating compounds Nutlin-3 and RITA to overcome p53 resistance in tumor cells deficient in p53Ser46 phosphorylation.

    Science.gov (United States)

    Ma, Teng; Yamada, Shumpei; Ichwan, Solachuddin J A; Iseki, Sachiko; Ohtani, Kiyoshi; Otsu, Megumi; Ikeda, Masa-Aki

    2012-01-20

    The p53 tumor suppressor protein plays key roles in protecting cells from tumorigenesis. Phosphorylation of p53 at Ser46 (p53Ser46) is considered to be a crucial modification regulating p53-mediated apoptosis. Because the activity of p53 is impaired in most human cancers, restoration of wild-type p53 (wt-p53) function by its gene transfer or by p53-reactivating small molecules has been extensively investigated. The p53-reactivating compounds Nutlin-3 and RITA activate p53 in the absence of genotoxic stress by antagonizing the action of its negative regulator Mdm2. Although controversial, Nutlin-3 was shown to induce p53-mediated apoptosis in a manner independent of p53 phosphorylation. Recently, RITA was shown to induce apoptosis by promoting p53Ser46 phosphorylation. Here we examined whether Nutlin-3 or RITA can overcome resistance to p53-mediated apoptosis in p53-resistant tumor cell lines lacking the ability to phosphorylate p53Ser46. We show that Nutlin-3 did not rescue the apoptotic defect of a Ser46 phosphorylation-defective p53 mutant in p53-sensitive tumor cells, and that RITA neither restored p53Ser46 phosphorylation nor induced apoptosis in p53Ser46 phosphorylation-deficient cells retaining wt-p53. Furthermore, treatment with Nutlin-3 or RITA together with adenoviral p53 gene transfer also failed to induce apoptosis in p53Ser46 phosphorylation-deficient cells either expressing or lacking wt-p53. These results indicate that neither Nutlin-3 nor RITA in able to induce p53-mediated apoptosis in the absence of p53Ser46 phosphorylation. Thus, the dysregulation of this phosphorylation in tumor cells may be a critical factor that limits the efficacy of these p53-based cancer therapies. Copyright © 2011 Elsevier Inc. All rights reserved.

  1. RITA (Reactivating p53 and Inducing Tumor Apoptosis) is efficient against TP53abnormal myeloma cells independently of the p53 pathway.

    Science.gov (United States)

    Surget, Sylvanie; Descamps, Géraldine; Brosseau, Carole; Normant, Vincent; Maïga, Sophie; Gomez-Bougie, Patricia; Gouy-Colin, Nadège; Godon, Catherine; Béné, Marie C; Moreau, Philippe; Le Gouill, Steven; Amiot, Martine; Pellat-Deceunynck, Catherine

    2014-06-14

    The aim of this study was to evaluate the efficacy of the p53-reactivating drugs RITA and nutlin3a in killing myeloma cells. A large cohort of myeloma cell lines (n = 32) and primary cells (n = 21) was used for this study. This cohort contained cell lines with various TP53 statuses and primary cells with various incidences of deletion of chromosome 17. Apoptosis was evaluated using flow cytometry with Apo2.7 staining of the cell lines or via the loss of the myeloma-specific marker CD138 in primary cells. Apoptosis was further confirmed by the appearance of a subG1 peak and the activation of caspases 3 and 9. Activation of the p53 pathway was monitored using immunoblotting via the expression of the p53 target genes p21, Noxa, Bax and DR5. The involvement of p53 was further studied in 4 different p53-silenced cell lines. Both drugs induced the apoptosis of myeloma cells. The apoptosis that was induced by RITA was not related to the TP53 status of the cell lines or the del17p status of the primary samples (p = 0.52 and p = 0.80, respectively), and RITA did not commonly increase the expression level of p53 or p53 targets (Noxa, p21, Bax or DR5) in sensitive cells. Moreover, silencing of p53 in two TP53(mutated) cell lines failed to inhibit apoptosis that was induced by RITA, which confirmed that RITA-induced apoptosis in myeloma cells was p53 independent. In contrast, apoptosis induced by nutlin3a was directly linked to the TP53 status of the cell lines and primary samples (p RITA, in contrast to nutlin3a, effectively induced apoptosis in a subset of MM cells independently of p53. The findings and could be of interest for patients with a 17p deletion, who are resistant to current therapies.

  2. Mineral, Energy, and Fertilizer Resources of the North Coast of Peru: Perspective from the Santa Rita B Archaeological Site

    Science.gov (United States)

    Brooks, William E.; Kent, Jonathan D.; Willett, Jason C.

    2004-01-01

    The Santa Rita B archaeological site is in the Chao Valley, approximately 65 km southeast of Trujillo, northern Peru. Location of Santa Rita B at the emergence of several drainages from the Andean cordillera is an important factor in the almost continuous occupation of the site over the past 3,000 years. Mineral resources are abundant throughout the Andes; however, the north coast of Peru was an important center for pre-Columbian mining, metallurgy, and craftsmanship. Success of the Chavin, Moche, Chimu, and other north coast cultures is directly related to the availability and exploitation of mineral and energy resources that include: gold (?silver), as electrum, mainly from placers, and copper from local oxide and carbonate occurrences and from sulfides related to copper porphyry occurrences in the cordillera. An alloy of these three metals is referred to as tumbaga, which is the primary material for Andean metalcraft. Anthracite was used for mirrors by north coast cultures and is available near Rio Chicama, Rio Santa, and east of Santa Rita B. These outcrops are a part of the Alto Chicama, Peru's largest coalfield, which extends from Rio Chicama, in the north, for 200 km southward to Rio Santa. Charcoal from the algorrobo tree and llama dung are considered to be the common pre-Columbian energy sources for cooking and metalwork; however, availability and the higher heat content of anthracite indicate that it was used in metallurgical applications. Bitumen is available from petroleum seeps near Talara, north of the study area, and may have been used as glue or as cement. Hematite, goethite, limonite, and manganese oxides from clay-altered volcanic rock may have provided color and material for ceramics. Guano from the Islas Gua?apes, Chinchas, and Ballestas was used as fertilizer for cotton and other crops.

  3. After Hurricanes Katrina and Rita: gender differences in health and religiosity in middle-aged and older adults.

    Science.gov (United States)

    Brown, Jennifer Silva; Cherry, Katie E; Marks, Loren D; Jackson, Erin M; Volaufova, Julia; Lefante, Christina; Jazwinski, S Michal

    2010-11-01

    We examined health-related quality of life in adults in the Louisiana Health Aging Study (LHAS) after Hurricanes Katrina and Rita (HK/R) that made landfall on the U.S. Gulf Coast region in 2005. Analyses of pre- and post-disaster SF-36 scores yielded changes in physical function and bodily pain. Mental health scores were lower for women than men. Gender differences were observed in religious beliefs and religious coping, favoring women. Religious beliefs and religious coping were negatively correlated with physical function, implying that stronger reliance on religiosity as a coping mechanism may be more likely among those who are less physically capable.

  4. CREACIÓN DE UN METAVERSO EN OPENSIM PARA LA UNIVERSIDAD DISTRITAL DENTRO DE LA RED RITA-UD

    Directory of Open Access Journals (Sweden)

    Nicolás Torres Vallejo

    2013-01-01

    Full Text Available Este paper contempla el montaje de un segmento de red inalámbrico para la red RITA-UD con el fin de brindar acceso a contenidos multimedia a través de un mundo virtual creado en OPENSIM. Los contenidos de las emisiones de streaming se encuentran almacenados en un servidor ubicado en el centro de computación de alto desempeño, CECAD. Al tiempo  que se realizaron pruebas de streaming multicast, se capturaron dichas transmisiones mediante el sniffer de paquetes WireShark con el fin de determinar parámetros de QoS que caractericen el canal.

  5. Geomorphic and ecological effects of Hurricanes Katrina and Rita on coastal Louisiana marsh communities

    Science.gov (United States)

    Piazza, Sarai C.; Steyer, Gregory D.; Cretini, Kari F.; Sasser, Charles E.; Visser, Jenneke M.; Holm, Guerry O.; Sharp, Leigh A.; Evers, D. Elaine; Meriwether, John R.

    2011-01-01

    Hurricanes Katrina and Rita made landfall in 2005, subjecting the coastal marsh communities of Louisiana to various degrees of exposure. We collected data after the storms at 30 sites within fresh (12), brackish/intermediate (12), and saline (6) marshes to document the effects of saltwater storm surge and sedimentation on marsh community dynamics. The 30 sites were comprised of 15 pairs. Most pairs contained one site where data collection occurred historically (that is, prestorms) and one Coastwide Reference Monitoring System site. Data were collected from spring 2006 to fall 2007 on vegetative species composition, percentage of vegetation cover, aboveground and belowground biomass, and canopy reflectance, along with discrete porewater salinity, hourly surface-water salinity, and water level. Where available, historical data acquired before Hurricanes Katrina and Rita were used to compare conditions and changes in ecological trajectories before and after the hurricanes. Sites experiencing direct and indirect hurricane influences (referred to in this report as levels of influence) were also identified, and the effects of hurricane influence were tested on vegetation and porewater data. Within fresh marshes, porewater salinity was greater in directly impacted areas, and this heightened salinity was reflected in decreased aboveground and belowground biomass and increased cover of disturbance species in the directly impacted sites. At the brackish/intermediate marsh sites, vegetation variables and porewater salinity were similar in directly and indirectly impacted areas, but porewater salinity was higher than expected throughout the study. Interestingly, directly impacted saline marsh sites had lower porewater salinity than indirectly impacted sites, but aboveground biomass was greater at the directly impacted sites. Because of the variable and site-specific nature of hurricane influences, we present case studies to help define postdisturbance baseline conditions in

  6. Estudo etnobotânico de plantas medicinais na comunidade de Santa Rita, Ituiutaba – MG

    Directory of Open Access Journals (Sweden)

    Juliana Aparecida Povh

    2013-07-01

    Full Text Available http://dx.doi.org/10.5007/2175-7925.2013v26n3p231 O objetivo deste artigo foi inventariar as plantas utilizadas na medicina popular pelos membros da comunidade rural de Santa Rita, no município de Ituiutaba - MG. A avaliação foi realizada por meio de entrevistas, com um questionário semiestruturado, e posterior coleta das plantas indicadas pelos informantes. Foram realizadas 47 entrevistas e 127 espécies foram listadas, pertencentes a 55 famílias de Angiospermas. Para obtenção dos dados quantitativos foi calculada a porcentagem de Concordância de Usos Principais (CUP de cada espécie; para identificar as indicações terapêuticas de maior importância, utilizou-se o Fator de Consenso dos Informantes (FCI. A CUP demonstrou que 5,5% das plantas citadas são amplamente utilizadas pela comunidade. As famílias botânicas predominantes foram Lamiaceae e Asteraceae, com 14 e 13 registros, respectivamente. A indicação de uso predominante envolveu, principalmente, afecções relacionadas a distúrbio emocional, conforme indicado pelo FCI. Salienta-se que 60,7% das plantas citadas neste artigo são espécies exóticas; desse modo, se faz necessário mais estudos para catalogar o conhecimento sobre as plantas medicinais nativas dessa região.

  7. Hurricane Rita surge data, southwestern Louisiana and southeastern Texas, September to November 2005

    Science.gov (United States)

    McGee, Benton D.; Goree, Burl B.; Tollett, Roland W.; Woodward, Brenda K.; Kress, Wade H.

    2006-01-01

    Pressure transducers and high-water marks were used to document the inland water levels related to storm surge generated by Hurricane Rita in southwestern Louisiana and southeastern Texas. On September 22-23, 2005, an experimental monitoring network consisting of 47 pressure transducers (sensors) was deployed at 33 sites over an area of about 4,000 square miles to record the timing, extent, and magnitude of inland hurricane storm surge and coastal flooding. Sensors were programmed to record date and time, temperature, and barometric or water pressure. Water pressure was corrected for changes in barometric pressure and salinity. Elevation surveys using global-positioning systems and differential levels were used to relate all storm-surge water-level data, reference marks, benchmarks, sensor measuring points, and high-water marks to the North American Vertical Datum of 1988 (NAVD 88). The resulting data indicated that storm-surge water levels over 14 feet above NAVD 88 occurred at three locations and rates of water-level rise greater than 5 feet per hour occurred at three locations near the Louisiana coast. Quality-assurance measures were used to assess the variability and accuracy of the water-level data recorded by the sensors. Water-level data from sensors were similar to data from co-located sensors, permanent U.S. Geological Survey streamgages, and water-surface elevations performed by field staff. Water-level data from sensors at selected locations were compared to corresponding high-water mark elevations. In general, the water-level data from sensors were similar to elevations of high quality high-water marks, while reporting consistently higher than elevations of lesser quality high-water marks.

  8. Post disaster resilience: Racially different correlates of depression symptoms among hurricane Katrina-Rita volunteers.

    Science.gov (United States)

    Nicdao, Ethel G; Noel, La Tonya; Ai, Amy L; Plummer, Carol; Groff, Sara

    2013-01-01

    The present analyses examined the differential risks of and protective factors against depressive symptoms of African American and Non-Hispanic White American student volunteers, respectively after Hurricanes Katrina and Rita (H-KR). A total sample of 554 student volunteers were recruited from mental health professional programs at five universities located in the Deep South, namely areas severely impacted by H-KR during fall semester 2005. The response rate was 91% (n = 505). African American respondents (n = 299) and Non-Hispanic White Americans (n = 206) completed the survey questionnaires. Respondents retrospectively provided information on peritraumatic emotional reactions and previous trauma that were recalled by H-KR and H-KR stressors. African American respondents reported higher levels of depressive symptoms (65.2%) than their Non-Hispanic White counterparts (34.8%). Hierarchical regression analyses revealed that disaster related stressors affected African Americans (p < 0.001), but not Non-Hispanic Whites. However, African Americans who experienced peritraumatic positive emotions had lower depression levels. Lower rates of recollection of prior traumas during H-KR were reported by African American respondents, whereas previous trauma recollections predicted symptoms among Non-Hispanic White Americans (p < 0.05). Exhibiting more optimism had lower depression levels among Non-Hispanic White Americans. Peritraumatic negative emotion was the only shared risk for depressive symptoms of both groups. Findings underscore racially different levels of depressive symptoms that may contribute to varying degrees of resilience among student volunteers. Future research and practice may address these racial differences by understanding the risk factors for depressive symptoms to develop appropriate interventions for racial groups, and cultivating the protective factors that contribute to resilience from traumatic experiences.

  9. Effects of hurricanes Katrina and Rita on Louisiana black bear habitat

    Science.gov (United States)

    Clark, Joseph D.; Murrow, Jennifer L.

    2012-01-01

    The Louisiana black bear (Ursus americanus luteolus) is comprised of 3 subpopulations, each being small, geographically isolated, and vulnerable to extinction. Hurricanes Katrina and Rita struck the Louisiana and Mississippi coasts in 2005, potentially altering habitat occupied by this federally threatened subspecies. We used data collected on radio-telemetered bears from 1993 to 1995 and pre-hurricane landscape data to develop a habitat model based on the Mahalanobis distance (D2) statistic. We then applied that model to post-hurricane landscape data where the telemetry data were collected (i.e., occupied study area) and where bear range expansion might occur (i.e., unoccupied study area) to quantify habitat loss or gain. The D2 model indicated that quality bear habitat was associated with areas of high mast-producing forest density, low water body density, and moderate forest patchiness. Cross-validation and testing on an independent data set in central Louisiana indicated that prediction and transferability of the model were good. Suitable bear habitat decreased from 348 to 345 km2 (0.9%) within the occupied study area and decreased from 34,383 to 33,891 km2 (1.4%) in the unoccupied study area following the hurricanes. Our analysis indicated that bear habitat was not significantly degraded by the hurricanes, although changes that could have occurred on a microhabitat level would be more difficult to detect at the resolution we used. We suggest that managers continue to monitor the possible long-term effects of these hurricanes (e.g., vegetation changes from flooding, introduction of toxic chemicals, or water quality changes).

  10. Assessing the Relationship Between Mental Distress and Tobacco Use in Post-Katrina and Rita Louisiana.

    Science.gov (United States)

    Mukherjee, Snigdha; Canterberry, Melanie; Yore, Jennifer B; Ledford, Edward Cannon; Carton, Thomas W

    2017-08-24

    The relationship between mental health status and smoking is complicated and often confounded by bi-directionality, yet most research on this relationship assumes exogeneity. The goal of this article is to implement an instrumental variable approach to (1) test the exogeneity assumption and (2) report on the association between mental health status and smoking post-disaster. This analysis utilizes the 2006 and 2007 Louisiana Behavioral Risk Factor Surveillance Survey to examine the link between mental distress and smoking in areas affected by Hurricanes Katrina and Rita. Residence in a hurricane-affected parish (county) was used as an instrumental variable for mental distress. Just over 22% of the sample resided in a hurricane-affected parish. Residents of hurricane-affected parishes were significantly more likely to report occasional and frequent mental distress. Residence in a hurricane-affected parish was not significantly associated with smoking status. With residence established as a salient instrumental variable for mental distress, the exogeneity assumption was tested and confirmed in this sample. A dose-response relationship existed between mental distress and smoking, with smoking prevalence increasing directly (and non-linearly) with mental distress. In this sample, the relationship between mental distress and smoking status was exogenous and followed a dose-response relationship, suggesting that the disasters did not result in an uptake of smoking initiation, but that the higher amounts of mental distress may lead to increased use among smokers. The findings suggest that tobacco control programs should devise unique strategies to address mentally distressed populations.

  11. Kinematic structure of convective-scale elements in the rainbands of Hurricanes Katrina and Rita (2005)

    Science.gov (United States)

    Hence, Deanna A.; Houze, Robert A.

    2008-08-01

    Airborne Doppler radar data collected during the Hurricane Rainband and Intensity Change Experiment (RAINEX) show the convective-scale air motions embedded in the principal rainbands of hurricanes Katrina and Rita. These embedded convective cells have overturning updrafts and low-level downdrafts (originating at 2-4 km) that enter the rainband on its radially outward side and cross over each other within the rainband as well as a strong downdraft emanating from upper levels (6+ km) on the radially inward side. These vertical motion structures repeat from one convective cell to another along each rainband. The resulting net vertical mass transport is upward in the upwind portion of the band and greatest in the middle sector of the principal rainband, where the updraft motions contribute generally to an increase of potential vorticity below the 3-4 km level. Because the convective cells in the middle sector are systematically located radially just inside the secondary horizontal wind maximum (SHWM), the local increase in vorticity implied by the convective mass transport is manifest locally as an increase in the strength of the SHWM at midlevels (˜4 km). The overturning updrafts of the convective cells tilt, stretch, and vertically transport vorticity such that the convergence of the vertical flux of vorticity strengthens the vorticity anomaly associated with the SHWM. This process could strengthen the SHWM by several meters per second per hour, and may explain how high wave number convective-scale features can influence a low wave number feature such as the principal rainband, and subsequently influence the primary vortex.

  12. Hurricane Rita and the destruction of Holly Beach, Louisiana: Why the chenier plain is vulnerable to storms

    Science.gov (United States)

    Sallenger, A.H.; Wright, C.W.; Doran, K.; Guy, K.; Morgan, K.

    2009-01-01

    Hurricane Rita devastated gulf-front communities along the western Louisiana coast in 2005. LIDAR (light detection and ranging) topographic surveys and aerial photography collected before and after the storm showed the loss of every structure within the community of Holly Beach. Average shoreline change along western Louisiana's 140-km-long impacted shore was -23.3 ?? 30.1 m of erosion, although shoreline change in Holly Beach was substantially less, and erosion was not pervasive where the structures were lost. Before the storm, peak elevations of the dunes, or berms in the absence of dunes, along the impacted shore averaged 1.6 m. The storm surge, which reached 3.5 m just east of Holly Beach, completely inundated the beach systems along the impacted western Louisiana shore. The high surge potential and low land elevations make this coast extremely vulnerable to hurricanes. In fact, most of the western Louisiana shore impacted by Rita will be completely inundated by the storm surge of a worst-case Saffi r-Simpson category 1 hurricane. All of this shore will be inundated by worst-case category 2-5 storms. ?? 2009 The Geological Society of America.

  13. Nonlinear terms in storm surge predictions: Effect of tide and shelf geometry with case study from Hurricane Rita

    Science.gov (United States)

    Rego, JoãO. L.; Li, Chunyan

    2010-06-01

    This study applied the finite volume coastal ocean model (FVCOM) to the storm surge induced by Hurricane Rita along the Louisiana-Texas coast. The model was calibrated for tides and validated with observed water levels. Peak water levels were shown to be lower than expected for a landfall at high tide. For low- and high-tide landfalls, nonlinear effects due to tide-surge coupling were constructive and destructive to total storm tide, respectively, and their magnitude reached up to 70% of the tidal amplitude in the Rita application. Tide-surge interaction was further examined using a standard hurricane under idealized scenarios to evaluate the effects of various shelf geometries, tides, and landfall timings (relative to tide). Nonlinearity was important between landfall position and locations within 2.5 × radius of maximum winds. On an idealized wide continental shelf, nonlinear effects reached up to 80% of the tidal amplitude with an S2 tide and up to 47% with a K1 tide. Increasing average depths by 4 m reduced nonlinear effects to 41% of the tidal amplitude; increasing the slope by a factor of 3 produced nonlinearities of just 26% of tide (both with a K1 tide). The nonlinear effect was greatest for landfalls at low tide, followed by landfalls at high tide and then by landfalls at midebb or midflood.

  14. Mammals of medium and large size in Santa Rita do Sapucaí, Minas Gerais, southeastern Brazil

    Directory of Open Access Journals (Sweden)

    Eduardo, A. A.

    2009-01-01

    Full Text Available The diversity of Brazilian vertebrates is regarded among the highest in the world. However, the biologicaldiversity is still mostly unknown and a good part of it is seriously threatened by human activities. This study aimed toinventory the medium and large size mammals present in the Reserva Biológica de Santa Rita do Sapucaí, an Atlanticforest reserve located in Santa Rita do Sapucaí, southeastern Brazil. Sand-plots, photographic traps and searches foranimal tracks on pre-existent trails in the area, were carried out once every two months between May 2006 andFebruary 2007. The sand-plots and tracks were inspected during five consecutive days per sampling. We obtained 108records of 15 species, mostly of carnivorans. Two confirmed species are threatened with extinction in Brazil (Callithrixaurita and Leopardus pardalis. The results suggest that the sampled reserve has high species richness and plays animportant role in conservation of mammals in this landscape, including species threatened with extinction.

  15. Santa Rita Experimental Range: 100 years (1903 to 2003) of accomplishments and contributions; conference proceedings; 2003 October 30-November 1; Tucson, AZ

    Science.gov (United States)

    Mitchel P. McClaran; Peter F. Ffolliott; Carleton B. Edminster

    2003-01-01

    The purpose of this conference was to celebrate the 100 years of accomplishments and contributions of the Santa Rita Experimental Range, the longest continuously operating research area dedicated to the sustainable management of North American rangelands. The conference consisted of one-and-a-half days of invited synthesis papers and contributed poster presentations...

  16. Impacts of Hurricane Rita on the beaches of western Louisiana: Chapter 5D in Science and the storms-the USGS response to the hurricanes of 2005

    Science.gov (United States)

    Stockdon, Hilary F.; Fauver, Laura A.; Sallenger,, Asbury H.; Wright, C. Wayne

    2007-01-01

    Hurricane Rita made landfall as a category 3 storm in western Louisiana in late September 2005, 1 month following Hurricane Katrina's devastating landfall in the eastern part of the State. Large waves and storm surge inundated the lowelevation coastline, destroying many communities and causing extensive coastal change including beach, dune, and marsh erosion.

  17. Human neuroblastoma cells with acquired resistance to the p53 activator RITA retain functional p53 and sensitivity to other p53 activating agents

    NARCIS (Netherlands)

    Michaelis, M.; Rothweiler, F.; Agha, B.; Barth, S.; Voges, Y.; Loeschmann, N.; von Deimling, A.; Breitling, R.; Doerr, H. Wilhelm; Roedel, F.; Speidel, D.; Cinatl, J.; Cinatl Jr., J.; Stephanou, A.

    Adaptation of wild-type p53 expressing UKF-NB-3 cancer cells to the murine double minute 2 inhibitor nutlin-3 causes de novo p53 mutations at high frequency (13/20) and multi-drug resistance. Here, we show that the same cells respond very differently when adapted to RITA, a drug that, like nutlin-3,

  18. Hurricanes Katrina and Rita: Temporary Emergency Impact Aid Provided Education Support for Displaced Students. Report to the Congressional Requesters. GAO-11-839

    Science.gov (United States)

    Scott, George A.

    2011-01-01

    In August and September 2005, Hurricanes Katrina and Rita devastated large portions of the U.S. Gulf Coast, resulting in nearly 2,000 deaths and severe damage to 305,000 houses and apartments. Thousands of families relocated to communities throughout the United States and enrolled their children in local public or private schools. Some families…

  19. The Walnut Gulch - Santa Rita Wildland Watershed-Scale LTAR Sites

    Science.gov (United States)

    Goodrich, D. C.; Heilman, P.; Scott, R. L.; Nearing, M. A.; Moran, M. S.; Nichols, M.; Vivoni, E. R.; Archer, S. R.; Biederman, J.; Naito, A. T.

    2015-12-01

    The 150 km2 Walnut Gulch Experimental Watershed (WGEW), a Long-Term Agroecosystem Research (LTAR) site, near Tombstone, Arizona was established in 1953 by the USDA-ARS Southwest Watershed Research Center in Tucson. It is one of the most intensively instrumented semiarid experimental watersheds in the world with elevation ranging from 1220 to 1950 m with mean annual temperature and precipitation equal to 17.7°C and 312 mm. Desert shrubs dominate the lower two thirds of the watershed and grasses the upper third. Spatial variation in precipitation is measured with a network of 88 weighing-type recording rain gauges. Surface runoff is quantified over a range of scales (0.002 to 0.06 km2) to characterize interactions between rainfall intensity, soils and vegetation at nine sub-watersheds. Channel network processes and rainfall spatial variability are studied using 11 nested watersheds (2 to 150 km2). Sediment from the small sub-watersheds is sampled. Meteorological, soil moisture and temperature, and energy/water/CO2 flux measurements are made within two vegetation/soil complexes. Parallel investigations dating back to 1974 have also been conducted on eight small experimental watersheds at the Santa Rita Experimental Range (SRER) 80 km west of Walnut Gulch. In contrast to the creosote bush-grass WGEW, the mesquite-grass SRER is publicly owned, which ensures control and consistent reporting of management for research purposes. A key LTAR objective is to contrast a "business as usual" to an alternate management strategy presumed to have the potential of significantly improving forage and livestock production and diversification of ecosystem services. Consequently, a new ARS-U. of Arizona-Arizona State U. partnership will assess the watershed-scale impacts of brush management, a common land use practice typically applied in conjunction with livestock grazing, on a suite of ecosystem services at the SRER including provisioning (forage production, water yield), supporting

  20. Regeneration of coastal marsh vegetation impacted by hurricanes Katrina and Rita

    Science.gov (United States)

    Middleton, B.A.

    2009-01-01

    The dynamics of plant regeneration via seed and vegetative spread in coastal wetlands dictate the nature of community reassembly that takes place after hurricanes or sea level rise. The objectives of my project were to evaluate the potential effects of saltwater intrusion and flooding of Hurricanes Katrina and Rita on seedling regeneration in coastal wetlands of the Gulf Coast. Specifically I tested hypotheses to determine for species in fresh, brackish and salt marshes of the Gulf Coast if 1) the pattern of seed germination and seedling recruitment differed with distance from the shoreline, and 2) seed germination and seedling recruitment for various species were reduced in higher levels of water depth and salinity. Regarding Hypothesis 1, seedling densities increased with distance from the shoreline in fresh and brackish water marshes while decreasing with distance from the shoreline in salt marshes. Also to test Hypothesis 1, I used a greenhouse seed bank assay to examine seed germination from seed banks collected at distances from the shoreline in response to various water depths and salinity levels using a nested factorial design. For all marsh types, the influence of water level and salinity on seed germination shifted with distance from the shoreline (i.e., three way interaction of the main effects of distance nested within site, water depth, and salinity). Data from the seed bank assay were also used to test Hypothesis 2. The regeneration of species from fresh, brackish, and salt marshes were reduced in conditions of high salinity and/or water, so that following hurricanes or sea level rise, seedling regeneration could be reduced. Among the species of these coastal marshes, there was some flexibility of response, so that at least some species were able to germinate in either high or low salinity. Salt marshes had a few fresher marsh species in the seed bank that would not germinate without a period of fresh water input (e.g., Sagittaria lancifolia) as well

  1. EAARL coastal topography and imagery–Western Louisiana, post-Hurricane Rita, 2005: First surface

    Science.gov (United States)

    Bonisteel-Cormier, Jamie M.; Wright, Wayne C.; Fredericks, Alexandra M.; Klipp, Emily S.; Nagle, Doug B.; Sallenger, Asbury H.; Brock, John C.

    2013-01-01

    These remotely sensed, geographically referenced color-infrared (CIR) imagery and elevation measurements of lidar-derived first-surface (FS) topography datasets were produced by the U.S. Geological Survey (USGS), St. Petersburg Coastal and Marine Science Center, St. Petersburg, Florida, and the National Aeronautics and Space Administration (NASA), Wallops Flight Facility, Virginia. This project provides highly detailed and accurate datasets of a portion of the Louisiana coastline beachface, acquired post-Hurricane Rita on September 27-28 and October 2, 2005. The datasets are made available for use as a management tool to research scientists and natural-resource managers. An innovative airborne lidar instrument originally developed at the National Aeronautics and Space Administration (NASA) Wallops Flight Facility, and known as the Experimental Advanced Airborne Research Lidar (EAARL), was used during data acquisition. The EAARL system is a raster-scanning, waveform-resolving, green-wavelength (532-nanometer) lidar designed to map near-shore bathymetry, topography, and vegetation structure simultaneously. The EAARL sensor suite includes the raster-scanning, water-penetrating full-waveform adaptive lidar, a down-looking red-green-blue (RGB) digital camera, a high-resolution multispectral color-infrared (CIR) camera, two precision dual-frequency kinematic carrier-phase GPS receivers, and an integrated miniature digital inertial measurement unit, which provide for sub-meter georeferencing of each laser sample. The nominal EAARL platform is a twin-engine Cessna 310 aircraft, but the instrument may be deployed on a range of light aircraft. A single pilot, a lidar operator, and a data analyst constitute the crew for most survey operations. This sensor has the potential to make significant contributions in measuring sub-aerial and submarine coastal topography within cross-environmental surveys. Elevation measurements were collected over the survey area using the EAARL

  2. Hum Kohn Hai

    Indian Academy of Sciences (India)

    and Sananda Biswas, who were participants in the school. ... change drastically when the Nazis came to power in neighboring Germany. .... tional theory computer packages) and the Abdus Salam International Centre for Theoretical. Physics ...

  3. Reply to Kohn

    Science.gov (United States)

    Wright, James D.; Wright, Sonia R.

    1976-01-01

    Argues that their paper is almost entirely programmatic: It attempts to indicate roughly how much we can expect to know about parental values for children once we know all there is to know about their relationship to social class; how much more might be known if similar efforts were expended on other factors; and what lines of inquiry these…

  4. The Creative Kohn

    Indian Academy of Sciences (India)

    work along these lines with their coworkers in the early sixties. In 1994, Pople finally .... advantage in the reduction of the dimensionality of the problem. (from 3Nto 3) .... recently wrote to me that these days he is reading chemistry textbooks like ...

  5. Satellite Assessment of Bio-Optical Properties of Northern Gulf of Mexico Coastal Waters Following Hurricanes Katrina and Rita.

    Science.gov (United States)

    Lohrenz, Steven E; Cai, Wei-Jun; Chen, Xiaogang; Tuel, Merritt

    2008-07-10

    The impacts of major tropical storms events on coastal waters include sediment resuspension, intense water column mixing, and increased delivery of terrestrial materials into coastal waters. We examined satellite imagery acquired by the Moderate Resolution Imaging Spectroradiometer (MODIS) ocean color sensor aboard the Aqua spacecraft following two major hurricane events: Hurricane Katrina, which made landfall on 29 August 2005, and Hurricane Rita, which made landfall on 24 September. MODIS Aqua true color imagery revealed high turbidity levels in shelf waters immediately following the storms indicative of intense resuspension. However, imagery following the landfall of Katrina showed relatively rapid return of shelf water mass properties to pre-storm conditions. Indeed, MODIS Aqua-derived estimates of diffuse attenuation at 490 nm (K_490) and chlorophyll (chlor_a) from mid-August prior to the landfall of Hurricane Katrina were comparable to those observed in mid-September following the storm. Regions of elevated K_490 and chlor_a were evident in offshore waters and appeared to be associated with cyclonic circulation (cold-core eddies) identified on the basis of sea surface height anomaly (SSHA). Imagery acquired shortly after Hurricane Rita made landfall showed increased water column turbidity extending over a large area of the shelf off Louisiana and Texas, consistent with intense resuspension and sediment disturbance. An interannual comparison of satellite-derived estimates of K_490 for late September and early October revealed relatively lower levels in 2005, compared to the mean for the prior three years, in the vicinity of the Mississippi River birdfoot delta. In contrast, levels above the previous three year mean were observed off Texas and Louisiana 7-10 d after the passage of Rita. The lower values of K_490 near the delta could be attributed to relatively low river discharge during the preceding months of the 2005 season. The elevated levels off Texas and

  6. RITA--Registry of Industrial Toxicology Animal data: the application of historical control data for Leydig cell tumors in rats.

    Science.gov (United States)

    Nolte, Thomas; Rittinghausen, Susanne; Kellner, Rupert; Karbe, Eberhard; Kittel, Birgit; Rinke, Matthias; Deschl, Ulrich

    2011-11-01

    Historical data for Leydig cell tumors from untreated or vehicle treated rats from carcinogenicity studies collected in the RITA database are presented. Examples are given for analyses of these data for dependency on variables considered to be of possible influence on the spontaneous incidence of Leydig cell tumors. In the 7453 male rats available for analysis, only one case of a Leydig cell carcinoma was identified. The incidence of Leydig cell adenomas differed markedly between strains. High incidences of close to 100% have been found in F344 rats, while the mean incidence was 4.2% in Sprague-Dawley rats and 13.7% in Wistar rats. Incidences in Wistar rats were highly variable, primarily caused by different sources of animals. Mean incidences per breeder varied from 2.8 to 39.9%. Analyses for the dependency on further parameters have been performed in Wistar rats. In breeders G and I, the Leydig cell tumor incidence decreased over the observation period and with increasing mean terminal body weight. The incidence of Leydig cell tumors increased with mean age at necropsy and was higher in studies with dietary admixture compared to gavage studies. These parameters had no effect on Leydig cell tumor incidence in breeders A and B. Animals from almost all breeders had a considerably higher mean age at necropsy when bearing a Leydig cell adenoma than animals without a Leydig cell adenoma. Studies with longitudinal trimming of the testes had a higher incidence than studies with transverse trimming. The observed dependencies and breeder differences are discussed and explanations are given. Consequences for the use of historical control data are outlined. With the retrospective analyses presented here we were able to confirm the published features of Leydig cell adenomas and carcinomas. This indicates that the RITA database is a valuable tool for analyses of tumors for their biological features. Furthermore, it demonstrates that the RITA database is highly beneficial for

  7. Satellite Assessment of Bio-Optical Properties of Northern Gulf of Mexico Coastal Waters Following Hurricanes Katrina and Rita

    Directory of Open Access Journals (Sweden)

    Merritt Tuel

    2008-07-01

    Full Text Available The impacts of major tropical storms events on coastal waters include sediment resuspension, intense water column mixing, and increased delivery of terrestrial materials into coastal waters. We examined satellite imagery acquired by the Moderate Resolution Imaging Spectroradiometer (MODIS ocean color sensor aboard the Aqua spacecraft following two major hurricane events: Hurricane Katrina, which made landfall on 29 August 2005, and Hurricane Rita, which made landfall on 24 September. MODIS Aqua true color imagery revealed high turbidity levels in shelf waters immediately following the storms indicative of intense resuspension. However, imagery following the landfall of Katrina showed relatively rapid return of shelf water mass properties to pre-storm conditions. Indeed, MODIS Aqua-derived estimates of diffuse attenuation at 490 nm (K_490 and chlorophyll (chlor_a from mid-August prior to the landfall of Hurricane Katrina were comparable to those observed in mid-September following the storm. Regions of elevated K_490 and chlor_a were evident in offshore waters and appeared to be associated with cyclonic circulation (cold-core eddies identified on the basis of sea surface height anomaly (SSHA. Imagery acquired shortly after Hurricane Rita made landfall showed increased water column turbidity extending over a large area of the shelf off Louisiana and Texas, consistent with intense resuspension and sediment disturbance. An interannual comparison of satellite-derived estimates of K_490 for late September and early October revealed relatively lower levels in 2005, compared to the mean for the prior three years, in the vicinity of the Mississippi River birdfoot delta. In contrast, levels above the previous three year mean were observed off Texas and Louisiana 7-10 d after the passage of Rita. The lower values of K_490 near the delta could be attributed to relatively low river discharge during the preceding months of the 2005 season. The elevated levels

  8. Dual targeting of wild-type and mutant p53 by small molecule RITA results in the inhibition of N-Myc and key survival oncogenes and kills neuroblastoma cells in vivo and in vitro.

    Science.gov (United States)

    Burmakin, Mikhail; Shi, Yao; Hedström, Elisabeth; Kogner, Per; Selivanova, Galina

    2013-09-15

    Restoration of the p53 function in tumors is a promising therapeutic strategy due to the high potential of p53 as tumor suppressor and the fact that established tumors depend on p53 inactivation for their survival. Here, we addressed the question whether small molecule RITA can reactivate p53 in neuroblastoma and suppress the growth of neuroblastoma cells in vitro and in vivo. The ability of RITA to inhibit growth and to induce apoptosis was shown in seven neuroblastoma cell lines. Mechanistic studies were carried out to determine the p53 dependence and the molecular mechanism of RITA-induced apoptosis in neuroblastoma, using cell viability assays, RNAi silencing, co-immunoprecipitation, qPCR, and Western blotting analysis. In vivo experiments were conducted to study the effect of RITA on human neuroblastoma xenografts in mice. RITA induced p53-dependent apoptosis in a set of seven neuroblastoma cell lines, carrying wild-type or mutant p53; it activated p53 and triggered the expression of proapoptotic p53 target genes. Importantly, p53 activated by RITA inhibited several key oncogenes that are high-priority targets for pharmacologic anticancer strategies in neuroblastoma, including N-Myc, Aurora kinase, Mcl-1, Bcl-2, Wip-1, MDM2, and MDMX. Moreover, RITA had a strong antitumor effect in vivo. Reactivation of wild-type and mutant p53 resulting in the induction of proapoptotic factors along with ablation of key oncogenes by compounds such as RITA may be a highly effective strategy to treat neuroblastoma. ©2013 AACR.

  9. The effects of Hurricanes Katrina and Rita on seabed polycyclic aromatic hydrocarbon dynamics in the Gulf of Mexico.

    Science.gov (United States)

    Mitra, Siddhartha; Lalicata, Joseph J; Allison, Mead A; Dellapenna, Timothy M

    2009-06-01

    To assess the extent to which Hurricanes Katrina and Rita affected polycyclic aromatic hydrocarbons (PAH) in the Gulf of Mexico (GOM), sediment cores were analyzed in late 2005 from: a shallow shelf, a deeper shelf, and a marsh station. Sediment geochronology, fabric, and geochemistry show that the 2005 storms deposited approximately 10cm of sediment to the surface of a core at 5-12A. Bulk carbon geochemistry and PAH isomers in this top layer suggest that the source of sediment to the top portion of core 5-12A was from a relatively more marine area. Particulate PAHs in the marsh core (04M) appeared unaffected by the storms while sediments in the core from Station 5-1B (deeper shelf) were affected minimally (some possible storm-derived deposition). Substantial amounts of PAH-laden particles may have been displaced from the seabed in shallow areas of the water column in the GOM by these 2005 storms.

  10. Breakdown of lung framework and an increase in pores of Kohn as initial events of emphysema and a cause of reduction in diffusing capacity

    Directory of Open Access Journals (Sweden)

    Yoshikawa A

    2016-09-01

    Full Text Available Akira Yoshikawa,1 Shuntaro Sato,2,3 Tomonori Tanaka,1 Mikiko Hashisako,1,4 Yukio Kashima,5,6 Tomoshi Tsuchiya,7 Naoya Yamasaki,7 Takeshi Nagayasu,7 Hiroshi Yamamoto,2 Junya Fukuoka1,6 1Nagasaki Educational and Diagnostic Center of Pathology (NEDCP, Department of Pathology, 2Clinical Research Center, Nagasaki University Hospital, Nagasaki, 3Division of Biostatistics, Kurume University School of Medicine, Fukuoka, 4Research Institute for Diseases of the Chest, Graduate School of Medical Sciences, Kyushu University, Fukuoka, 5Department of Pathology, Hyogo Prefectural Awaji Medical Center, Sumoto, 6Department of Pathology, 7Division of Surgical Oncology, Department of Translational Medical Sciences, Nagasaki University Graduate School of Biomedical Sciences, Nagasaki, Japan Purpose: Pulmonary emphysema is the pathological prototype of chronic obstructive pulmonary disease and is also associated with other lung diseases. We considered that observation with different approaches may provide new insights for the pathogenesis of emphysema. Patients and methods: We reviewed tissue blocks of the lungs of 25 cases with/without emphysema and applied a three-dimensional observation method to the blocks. Based on the three-dimensional characteristics of the alveolar structure, we considered one face of the alveolar polyhedron as a structural unit of alveoli and called it a framework unit (FU. We categorized FUs based on their morphological characteristics and counted their number to evaluate the destructive changes in alveoli. We also evaluated the number and the area of pores of Kohn in FUs. We performed linear regression analysis to estimate the effect of these data on pulmonary function tests. Results: In multivariable regression analysis, a decrease in the number of FUs without an alveolar wall led to a significant decrease in the diffusing capacity of the lung for carbon monoxide (DLCO and DLCO per unit alveolar volume, and an increase in the area of

  11. Recent infection testing algorithm (RITA) applied to new HIV diagnoses in England, Wales and Northern Ireland, 2009 to 2011.

    Science.gov (United States)

    Aghaizu, A; Murphy, G; Tosswill, J; DeAngelis, D; Charlett, A; Gill, O N; Ward, H; Lattimore, S; Simmons, Rd; Delpech, V

    2014-01-16

    In 2009, Public Health England (PHE) introduced the routine application of a recent infection testing algorithm (RITA) to new HIV diagnoses, where a positive RITA result indicates likely acquisition of infection in the previous six months. Laboratories submit serum specimens to PHE for testing using the HIV 1/2gO AxSYM assay modified for the determination of HIV antibody avidity. Results are classified according to avidity index and data on CD₄ count, antiretroviral treatment and the presence of an AIDS-defining illness. Between 2009 and 2011, 38.4% (6,966/18,134) of new HIV diagnoses in England, Wales and Northern Ireland were tested. Demographic characteristics of those tested were similar to all persons with diagnosed HIV. Overall, recent infection was 14.7% (1,022/6,966) and higher among men who have sex with men (MSM) (22.3%, 720/3,223) compared with heterosexual men and women (7.8%, 247/3,164). Higher proportions were among persons aged 15-24 years compared with those ≥50 years (MSM 31.2% (139/445) vs 13.6% (42/308); heterosexual men and women 17.3% (43/249) vs 6.2% (31/501)). Among heterosexual men and women, black Africans were least likely to have recent infection compared with whites (4.8%, 90/1,892 vs 13.3%, 97/728; adjusted odds ratio: 0.6; 95% CI: 0.4-0.9). Our results indicate evidence of ongoing HIV transmission during the study period, particularly among MSM.

  12. Cooperação no APL de Santa Rita do Sapucaí.

    Directory of Open Access Journals (Sweden)

    Ana Rosa de Sousa

    2015-02-01

    Full Text Available Neste trabalho, apresentam-se os principais resultados de pesquisa na qual se investigaram os construtos explicativos das relações de cooperação entre as empresas integrantes do arranjo produtivo local (APL localizado na cidade de Santa Rita do Sapucaí, em Minas Gerais. Para tanto, recuperaram-se alguns aspectos da gênese, do desenvolvimento e da configuração do referido arranjo. Posteriormente, foi elaborada uma proposta teórico-metodológica que serviu de referência para a produção de explicações sobre relações entre os construtos cooperação, confiança, benefícios, entre outros. Para testar e validar a referida proposta, aplicaram-se duas técnicas de análise multivariada: análise fatorial e regressão polinomial. As análises dos resultados da pesquisa evidenciaram a existência de correlações que indicam percepção positiva dos gestores em relação à governança promovida no âmbito do arranjo produtivo e aos benefícios advindos da cooperação. Estes últimos são vistos pelos gestores como geradores de algumas vantagens individuais e coletivas para as empresas participantes da pesquisa. Finalmente, os resultados desta pesquisa contrariam algumas formulações da proposta teórico-metodológica utilizada para explicar as relações de confiança construídas entre as empresas que atuam numa mesma base territorial. Indicam ainda que esse APL exemplificaria bem a importância de dois elementos institucionais: a governança (no caso, Sindicato das Indústrias de Aparelhos Elétricos, Eletrônicos e Similares do Vale da Eletrônica – Sindvel – e poder público local e a interveniência de entidades educacionais que, além de assegurarem a qualificação da mão de obra, assumiram a tarefa de incubar empresas. Não parece inapropriado afirmar que o APL deve a sua criação e, mesmo, o seu desenvolvimento à atuação desses entes, conjuminada com a ação de pessoas visionárias, que ocuparam cargos diretivos

  13. Phenomenological approach to describe logistic growth and ...

    Indian Academy of Sciences (India)

    2016-10-18

    Oct 18, 2016 ... Gompertz function, used to describe biological growth processes undergoing atrophy or a demographic and ... recognizing the characteristic feature of a system and .... demonstrated with the help of a thought experiment by.

  14. describing a collaborative clothing design process between

    African Journals Online (AJOL)

    user

    ISSN 0378-5254 Journal of Family Ecology and Consumer Sciences, Vol 43, 2015. Designing success: describing a ... PROCESS BETWEEN APPRENTICE DESIGNERS AND EXPERT DESIGN .... 5 Evaluation and decisions. (a) Outcomes.

  15. Propagators for the Time-Dependent Kohn-Sham Equations: Multistep, Runge-Kutta, Exponential Runge-Kutta, and Commutator Free Magnus Methods.

    Science.gov (United States)

    Gómez Pueyo, Adrián; Marques, Miguel A L; Rubio, Angel; Castro, Alberto

    2018-05-09

    We examine various integration schemes for the time-dependent Kohn-Sham equations. Contrary to the time-dependent Schrödinger's equation, this set of equations is nonlinear, due to the dependence of the Hamiltonian on the electronic density. We discuss some of their exact properties, and in particular their symplectic structure. Four different families of propagators are considered, specifically the linear multistep, Runge-Kutta, exponential Runge-Kutta, and the commutator-free Magnus schemes. These have been chosen because they have been largely ignored in the past for time-dependent electronic structure calculations. The performance is analyzed in terms of cost-versus-accuracy. The clear winner, in terms of robustness, simplicity, and efficiency is a simplified version of a fourth-order commutator-free Magnus integrator. However, in some specific cases, other propagators, such as some implicit versions of the multistep methods, may be useful.

  16. Scanning and transmission electron microscopy of the tegument of Paranaella luquei Kohn, Baptista-Farias & Cohen, 2000 (Microcotylidae, Monogenea, parasite of a Brazilian catfish, Hypostomus regani

    Directory of Open Access Journals (Sweden)

    SC Cohen

    2001-05-01

    Full Text Available The surface topography and ultrastructure of the tegument of Paranaella luquei Kohn, Baptista-Farias & Cohen, 2000, a microcotylid monogenean parasite from the gills of Hypostomus regani (Ihering, 1905 (Loricariidae was studied by scanning (SEM and transmission electron microscopy (TEM. By SEM, it was observed that the tegument presents transversal ridges, forming folds in the ventral and dorsal surfaces and microvillous-like tegumental projections in the anterior and median regions of body. These projections were also observed by TEM. The tegument is made up of a syncytium delimited by apical and basal plasma membranes, containing inclusion bodies and mitochondria, connected to the nucleated region by means of cytoplasmatic processes. The tegumental cells present a well developed nucleus and cytoplasm containing inclusion bodies, similar to those found on the external layer, mitochondria, rough endoplasmatic reticulum and free ribossomes.

  17. Symmetry-adapted perturbation theory based on unrestricted Kohn-Sham orbitals for high-spin open-shell van der Waals complexes.

    Science.gov (United States)

    Hapka, Michał; Żuchowski, Piotr S; Szczęśniak, Małgorzata M; Chałasiński, Grzegorz

    2012-10-28

    Two open-shell formulations of the symmetry-adapted perturbation theory are presented. They are based on the spin-unrestricted Kohn-Sham (SAPT(UKS)) and unrestricted Hartree-Fock (SAPT(UHF)) descriptions of the monomers, respectively. The key reason behind development of SAPT(UKS) is that it is more compatible with density functional theory (DFT) compared to the previous formulation of open-shell SAPT based on spin-restricted Kohn-Sham method of Żuchowski et al. [J. Chem. Phys. 129, 084101 (2008)]. The performance of SAPT(UKS) and SAPT(UHF) is tested for the following open-shell van der Waals complexes: He···NH, H(2)O···HO(2), He···OH, Ar···OH, Ar···NO. The results show an excellent agreement between SAPT(UKS) and SAPT(ROKS). Furthermore, for the first time SAPT based on DFT is shown to be suitable for the treatment of interactions involving Π-state radicals (He···OH, Ar···OH, Ar···NO). In the interactions of transition metal dimers ((3)Σ(u)(+))Au(2) and ((13)Σ(g)(+))Cr(2) we show that SAPT is incompatible with the use of effective core potentials. The interaction energies of both systems expressed instead as supermolecular UHF interaction plus dispersion from SAPT(UKS) result in reasonably accurate potential curves.

  18. Sensorimotor Interference When Reasoning About Described Environments

    Science.gov (United States)

    Avraamides, Marios N.; Kyranidou, Melina-Nicole

    The influence of sensorimotor interference was examined in two experiments that compared pointing with iconic arrows and verbal responding in a task that entailed locating target-objects from imagined perspectives. Participants studied text narratives describing objects at locations around them in a remote environment and then responded to targets from memory. Results revealed only minor differences between the two response modes suggesting that bodily cues do not exert severe detrimental interference on spatial reasoning from imagined perspective when non-immediate described environments are used. The implications of the findings are discussed.

  19. Stochastic GARCH dynamics describing correlations between stocks

    Science.gov (United States)

    Prat-Ortega, G.; Savel'ev, S. E.

    2014-09-01

    The ARCH and GARCH processes have been successfully used for modelling price dynamics such as stock returns or foreign exchange rates. Analysing the long range correlations between stocks, we propose a model, based on the GARCH process, which is able to describe the main characteristics of the stock price correlations, including the mean, variance, probability density distribution and the noise spectrum.

  20. How Digital Native Learners Describe Themselves

    Science.gov (United States)

    Thompson, Penny

    2015-01-01

    Eight university students from the "digital native" generation were interviewed about the connections they saw between technology use and learning, and also their reactions to the popular press claims about their generation. Themes that emerged from the interviews were coded to show patterns in how digital natives describe themselves.…

  1. Analytical Solutions To Describe Juxtaposed Sands | Adeniji ...

    African Journals Online (AJOL)

    Mathematical (linear diffusion) equations are presented for two pseudoreservoir regions intersected by fault that describe the effects of partial communicating fault on pressure transient behaviour for each fault block. Green's and source function technique solve these equations. A two-well system is considered for the ...

  2. Using fundamental equations to describe basic phenomena

    DEFF Research Database (Denmark)

    Jakobsen, Arne; Rasmussen, Bjarne D.

    1999-01-01

    When the fundamental thermodynamic balance equations (mass, energy, and momentum) are used to describe the processes in a simple refrigeration system, then one finds that the resulting equation system will have a degree of freedom equal to one. Further investigations reveal that it is the equatio...

  3. Did goethe describe attention deficit hyperactivity disorder?

    Science.gov (United States)

    Bonazza, Sara; Scaglione, Cesa; Poppi, Massimo; Rizzo, Giovanni

    2011-01-01

    As early as 1846, the typical symptoms of attention deficit hyperactivity disorder (ADHD) were described by Heinrich Hoffmann (1809-1894). However, in Goethe's masterpiece Faust (1832), the character of Euphorion strongly suggests ADHD diagnosis. Copyright © 2011 S. Karger AG, Basel.

  4. Crossing Canadian Cultural Borders: A study of the Aboriginal/White Stereotypical Relations in George Ryga's The Ecstasy of Rita Joe

    Directory of Open Access Journals (Sweden)

    Maram M. Samman

    2017-12-01

    Full Text Available This paper traces the intercultural journey of a young Aboriginal girl into the hegemonic white society. Rita Joe crossed the imaginary border that separates her reserve from the other Canadian society living in the urban developed city. Through this play, George Ryga aims at achieving liberation and social equality for the Aboriginals who are considered a colonized minority in their land. The research illustrates how Ryga represented his personal version of the colonial Aboriginal history to provide an empowering body narrative that supports their identity in the present and resists the erosion of their culture and tradition. The play makes very strong statements to preserve the family, history and local heritage against this forced assimilation. It tells the truth as its playwright saw it. The play is about the trail of Rita Joe after she moved from her reserve in pursuit of the illusion of the city where she thought she would find freedom and social equality. In fact the audience and the readers are all on trial. Ryga is pointing fingers at everyone who is responsible for the plights of the Aboriginals as it is clear in the play. He questions the Whites’ stereotypical stand against the Aboriginals. The play is a direct criticism of the political, social and cultural systems in Canada. The paper reveals Aboriginals' acts of opposition to racism, assimilation and colonization as represented in The Ecstasy of Rita Joe.

  5. A methodology to describe process control requirements

    International Nuclear Information System (INIS)

    Carcagno, R.; Ganni, V.

    1994-01-01

    This paper presents a methodology to describe process control requirements for helium refrigeration plants. The SSC requires a greater level of automation for its refrigeration plants than is common in the cryogenics industry, and traditional methods (e.g., written descriptions) used to describe process control requirements are not sufficient. The methodology presented in this paper employs tabular and graphic representations in addition to written descriptions. The resulting document constitutes a tool for efficient communication among the different people involved in the design, development, operation, and maintenance of the control system. The methodology is not limited to helium refrigeration plants, and can be applied to any process with similar requirements. The paper includes examples

  6. Generating and Describing Affective Eye Behaviors

    Science.gov (United States)

    Mao, Xia; Li, Zheng

    The manner of a person's eye movement conveys much about nonverbal information and emotional intent beyond speech. This paper describes work on expressing emotion through eye behaviors in virtual agents based on the parameters selected from the AU-Coded facial expression database and real-time eye movement data (pupil size, blink rate and saccade). A rule-based approach to generate primary (joyful, sad, angry, afraid, disgusted and surprise) and intermediate emotions (emotions that can be represented as the mixture of two primary emotions) utilized the MPEG4 FAPs (facial animation parameters) is introduced. Meanwhile, based on our research, a scripting tool, named EEMML (Emotional Eye Movement Markup Language) that enables authors to describe and generate emotional eye movement of virtual agents, is proposed.

  7. How do consumers describe wine astringency?

    Science.gov (United States)

    Vidal, Leticia; Giménez, Ana; Medina, Karina; Boido, Eduardo; Ares, Gastón

    2015-12-01

    Astringency is one of the most important sensory characteristics of red wine. Although a hierarchically structured vocabulary to describe the mouthfeel sensations of red wine has been proposed, research on consumers' astringency vocabulary is lacking. In this context, the aim of this work was to gain an insight on the vocabulary used by wine consumers to describe the astringency of red wine and to evaluate the influence of wine involvement on consumers' vocabulary. One hundred and twenty-five wine consumers completed and on-line survey with five tasks: an open-ended question about the definition of wine astringency, free listing the sensations perceived when drinking an astringent wine, free listing the words they would use to describe the astringency of a red wine, a CATA question with 44 terms used in the literature to describe astringency, and a wine involvement questionnaire. When thinking about wine astringency consumers freely elicited terms included in the Mouth-feel Wheel, such as dryness and harsh. The majority of the specific sub-qualities of the Mouth-feel Wheel were not included in consumer responses. Also, terms not classified as astringency descriptors were elicited (e.g. acid and bitter). Only 17 out of the 31 terms from the Mouth-feel Wheel were used by more than 10% of participants when answering the CATA question. There were no large differences in the responses of consumer segments with different wine involvement. Results from the present work suggest that most of the terms of the Mouth-feel Wheel might not be adequate to communicate the astringency characteristics of red wine to consumers. Copyright © 2015 Elsevier Ltd. All rights reserved.

  8. A functional language for describing reversible logic

    DEFF Research Database (Denmark)

    Thomsen, Michael Kirkedal

    2012-01-01

    Reversible logic is a computational model where all gates are logically reversible and combined in circuits such that no values are lost or duplicated. This paper presents a novel functional language that is designed to describe only reversible logic circuits. The language includes high....... Reversibility of descriptions is guaranteed with a type system based on linear types. The language is applied to three examples of reversible computations (ALU, linear cosine transformation, and binary adder). The paper also outlines a design flow that ensures garbage- free translation to reversible logic...... circuits. The flow relies on a reversible combinator language as an intermediate language....

  9. Eye of the storm: analysis of shelter treatment records of evacuees to Acadiana from Hurricanes Katrina and Rita.

    Science.gov (United States)

    Caillouet, L Philip; Paul, P Joseph; Sabatier, Steven M; Caillouet, Kevin A

    2012-01-01

    The objective of this study is to gain insight into the medical needs of disaster evacuees, through a review of experiential data collected in evacuation shelters in the days and weeks following Hurricanes Katrina and Rita in 2005, to better prepare for similar events in the future. Armed with the information and insights provided herein, it is hoped that meaningful precautions and decisive actions can be taken by individuals, families, institutions, communities, and officials should the Louisiana Gulf Coast-or any other area with well-known vulnerabilities-be faced with a future emergency. Demographic and clinical data that were recorded on paper documents during triage and treatment in evacuation shelters were later transcribed into a computerized database management system, with cooperation of the Department of Health Information Management at The University of Louisiana at Lafayette. Analysis of those contemporaneously collected data was undertaken later by the Louisiana Center for Health Informatics. Evacuation shelters, Parish Health Units, and other locations including churches and community centers were the venue for ad hoc clinics in the Acadiana region of Louisiana. The evacuee-patients-3,329 of them-whose information is reflected in the subject dataset were among two geographically distinct but similarly distressed groups: 1) evacuees from Hurricane Katrina that devastated New Orleans and other locales near Louisiana and neighboring states in late August 2005 and 2) evacuees from Hurricane Rita that devastated Southwest Louisiana and neighboring areas of Texas in September 2005. Patient data were collected by physicians, nurses, and other volunteers associated with the Operation Minnesota Lifeline (OML) deployment during the weeks following the events. Volunteer clinicians from OML provided triage and treatment services and documented those services as paper medical records. As the focus of the OML "mission of mercy" was entirely on direct individually

  10. Using neural networks to describe tracer correlations

    Directory of Open Access Journals (Sweden)

    D. J. Lary

    2004-01-01

    Full Text Available Neural networks are ideally suited to describe the spatial and temporal dependence of tracer-tracer correlations. The neural network performs well even in regions where the correlations are less compact and normally a family of correlation curves would be required. For example, the CH4-N2O correlation can be well described using a neural network trained with the latitude, pressure, time of year, and methane volume mixing ratio (v.m.r.. In this study a neural network using Quickprop learning and one hidden layer with eight nodes was able to reproduce the CH4-N2O correlation with a correlation coefficient between simulated and training values of 0.9995. Such an accurate representation of tracer-tracer correlations allows more use to be made of long-term datasets to constrain chemical models. Such as the dataset from the Halogen Occultation Experiment (HALOE which has continuously observed CH4  (but not N2O from 1991 till the present. The neural network Fortran code used is available for download.

  11. On Redundancy in Describing Linguistic Systems

    Directory of Open Access Journals (Sweden)

    Vladimir Borissov Pericliev

    2015-12-01

    Full Text Available On Redundancy in Describing Linguistic Systems The notion of system of linguistic elements figures prominently in most post-Saussurian linguistics up to the present. A “system” is the network of the contrastive (or, distinctive features each element in the system bears to the remaining elements. The meaning (valeur of each element in the system is the set of features that are necessary and jointly sufficient to distinguish this element from all others. The paper addresses the problems of “redundancy”, i.e. the occurrence of features that are not strictly necessary in describing an element in a system. Redundancy is shown to smuggle into the description of linguistic systems, this infelicitous practice illustrated with some examples from the literature (e.g. the classical phonemic analysis of Russian by Cherry, Halle, and Jakobson, 1953. The logic and psychology of the occurrence of redundancy are briefly sketched and it is shown that, in addition to some other problems, redundancy leads to a huge and unresolvable ambiguity of descriptions of linguistic systems (the Buridan’s ass problem.

  12. Is an eclipse described in the Odyssey?

    Science.gov (United States)

    Baikouzis, Constantino; Magnasco, Marcelo O

    2008-07-01

    Plutarch and Heraclitus believed a certain passage in the 20th book of the Odyssey ("Theoclymenus's prophecy") to be a poetic description of a total solar eclipse. In the late 1920s, Schoch and Neugebauer computed that the solar eclipse of 16 April 1178 B.C.E. was total over the Ionian Islands and was the only suitable eclipse in more than a century to agree with classical estimates of the decade-earlier sack of Troy around 1192-1184 B.C.E. However, much skepticism remains about whether the verses refer to this, or any, eclipse. To contribute to the issue independently of the disputed eclipse reference, we analyze other astronomical references in the Epic, without assuming the existence of an eclipse, and search for dates matching the astronomical phenomena we believe they describe. We use three overt astronomical references in the epic: to Boötes and the Pleiades, Venus, and the New Moon; we supplement them with a conjectural identification of Hermes's trip to Ogygia as relating to the motion of planet Mercury. Performing an exhaustive search of all possible dates in the span 1250-1115 B.C., we looked to match these phenomena in the order and manner that the text describes. In that period, a single date closely matches our references: 16 April 1178 B.C.E. We speculate that these references, plus the disputed eclipse reference, may refer to that specific eclipse.

  13. The provenance and Sm/Nd Model ages of siliciclastic supracrustal rocks of the Faina and Santa Rita Greenstone belts, Goias, Brazil

    International Nuclear Information System (INIS)

    Resende, Marcelo Goncalves; Jost, Hardy; Lima, Bruno Eustaquio Moreira; Teixeira, Alexandre de Amorim

    1999-01-01

    The Faina and Santa Rita greenstone belts are two N 60 deg C W trending synclinoria separated by a N 30 deg C E strike-slip fault and rest allochtonous on the adjacent Uva and Caicara granite-gneiss complexes. The belts are made up of lower metakomatiites, followed by metabasalts and thick metasedimentary sequences deposited under contrasting paleogeographic settings. In Faina, the sequence consists of two complete shelf cycles, the first resting on basalts by an erosional unconformity. In Santa Rita, the basalts give gradually place to carbonaceous metashales, unconformably overlain by metarhythmites. Provenance based on trace element geochemistry, mineral chemistry of chloride and muscovite, source-are modeling and REE elements indicate that protoliths of the first shelf cycle of Faina and the carbonaceous metashales of Santa Rita formed under the influence of a source area dominated by mafic ultramafic rocks, whilst during the sedimentation of the second shelf cycle and the metarhythmites of Santa Rita the source-area was dominated by TTG granitoids. Sm-Nd model ages of the lower sedimentary packages vary between 3.0 and 2.8 Ga and the upper between 2.7 and 2.6 Ga. These intervals coincide, respectively, with the estimated age of the underlying, and with the Sm-Nd, Rb-Sr e U-Pb ages of the main granitoids and gneisses of the adjacent complexes. The same data indicate that, during the sedimentation of the first shelf cycle of Faina and the carbonaceous metashales of Santa Rita, both basins had independent source-areas, but shared the same source during the upper sections. Weathering nature and intensity of the source-area calculated by means of geochemical a data suggest that the dramatic change of provenance from the lower to the upper sections is due to the shift from tectonically stable to unstable regimes, interpreted as resulting from the emergence of the island arc whose roots are represented by the adjacent granite-gneiss complexes. (author)

  14. Frameworks for understanding and describing business models

    DEFF Research Database (Denmark)

    Nielsen, Christian; Roslender, Robin

    2014-01-01

    This chapter provides in a chronological fashion an introduction to six frameworks that one can apply to describing, understanding and also potentially innovating business models. These six frameworks have been chosen carefully as they represent six very different perspectives on business models...... and in this manner “complement” each other. There are a multitude of varying frameworks that could be chosen from and we urge the reader to search and trial these for themselves. The six chosen models (year of release in parenthesis) are: • Service-Profit Chain (1994) • Strategic Systems Auditing (1997) • Strategy...... Maps (2001) • Intellectual Capital Statements (2003) • Chesbrough’s framework for Open Business Models (2006) • Business Model Canvas (2008)...

  15. Does Guru Granth Sahib describe depression?

    Science.gov (United States)

    Kalra, Gurvinder; Bhui, Kamaldeep; Bhugra, Dinesh

    2013-01-01

    Sikhism is a relatively young religion, with Guru Granth Sahib as its key religious text. This text describes emotions in everyday life, such as happiness, sadness, anger, hatred, and also more serious mental health issues such as depression and psychosis. There are references to the causation of these emotional disturbances and also ways to get out of them. We studied both the Gurumukhi version and the English translation of the Guru Granth Sahib to understand what it had to say about depression, its henomenology, and religious prescriptions for recovery. We discuss these descriptions in this paper and understand its meaning within the context of clinical depression. Such knowledge is important as explicit descriptions about depression and sadness can help encourage culturally appropriate assessment and treatment, as well as promote public health through education.

  16. Describing chaotic attractors: Regular and perpetual points

    Science.gov (United States)

    Dudkowski, Dawid; Prasad, Awadhesh; Kapitaniak, Tomasz

    2018-03-01

    We study the concepts of regular and perpetual points for describing the behavior of chaotic attractors in dynamical systems. The idea of these points, which have been recently introduced to theoretical investigations, is thoroughly discussed and extended into new types of models. We analyze the correlation between regular and perpetual points, as well as their relation with phase space, showing the potential usefulness of both types of points in the qualitative description of co-existing states. The ability of perpetual points in finding attractors is indicated, along with its potential cause. The location of chaotic trajectories and sets of considered points is investigated and the study on the stability of systems is shown. The statistical analysis of the observing desired states is performed. We focus on various types of dynamical systems, i.e., chaotic flows with self-excited and hidden attractors, forced mechanical models, and semiconductor superlattices, exhibiting the universality of appearance of the observed patterns and relations.

  17. Plans should abstractly describe intended behavior

    Energy Technology Data Exchange (ETDEWEB)

    Pfleger, K.; Hayes-Roth, B. [Stanford Univ., CA (United States)

    1996-12-31

    Planning is the process of formulating a potential course of action. How courses of action (plans) produced by a planning module are represented and how they are used by execution-oriented modules of a complex agent to influence or dictate behavior are critical architectural issues. In contrast to the traditional model of plans as executable programs that dictate precise behaviors, we claim that autonomous agents inhabiting dynamic, unpredictable environments can make better use of plans that only abstractly describe their intended behavior. Such plans only influence or constrain behavior, rather than dictating it. This idea has been discussed in a variety of contexts, but it is seldom incorporated into working complex agents. Experiments involving instantiations of our Adaptive Intelligent Systems architecture in a variety of domains have demonstrated the generality and usefulness of the approach, even with our currently simple plan representation and mechanisms for plan following. The behavioral benefits include (1) robust improvisation of goal-directed behavior in response to dynamic situations, (2) ready exploitation of dynamically acquired knowledge or behavioral capabilities, and (3) adaptation based on dynamic aspects of coordinating diverse behaviors to achieve multiple goals. In addition to these run-time advantages, the approach has useful implications for the design and configuration of agents. Indeed, the core ideas of the approach are natural extensions of fundamental ideas in software engineering.

  18. Describing and Enhancing Collaboration at the Computer

    Directory of Open Access Journals (Sweden)

    Ken Beatty

    2002-06-01

    Full Text Available Computer-based learning materials differ from classroom practice in that they seldom explicitly offer opportunities for collaboration. Despite this, students do collaborate, helping one another through the content and affordances of computer materials. But, in doing so, students meet with challenges. Paradoxically, these challenges can either inspire or discourage learning and second-language acquisition. This paper, based on research with twenty Hong Kong university students in a controlled experiment, evaluates challenges to collaboration at the computer as evidenced by discourse. The students were videotaped and their discourse transcribed and evaluated both qualitatively and quantitatively, according to a set of discourse markers created to describe collaborative, non-collaborative and ambiguous strategies. The paper begins by exploring the differences between collaboration and similar terms such as teamwork and cooperative learning then goes on to define collaboration in the context of computer-assisted learning. It ends by presenting practical suggestions for software designers, teachers and students to enhance collaboration at the computer.

  19. Describing pediatric dysphonia with nonlinear dynamic parameters

    Science.gov (United States)

    Meredith, Morgan L.; Theis, Shannon M.; McMurray, J. Scott; Zhang, Yu; Jiang, Jack J.

    2008-01-01

    Objective Nonlinear dynamic analysis has emerged as a reliable and objective tool for assessing voice disorders. However, it has only been tested on adult populations. In the present study, nonlinear dynamic analysis was applied to normal and dysphonic pediatric populations with the goal of collecting normative data. Jitter analysis was also applied in order to compare nonlinear dynamic and perturbation measures. This study’s findings will be useful in creating standards for the use of nonlinear dynamic analysis as a tool to describe dysphonia in the pediatric population. Methods The study included 38 pediatric subjects (23 children with dysphonia and 15 without). Recordings of sustained vowels were obtained from each subject and underwent nonlinear dynamic analysis and percent jitter analysis. The resulting correlation dimension (D2) and percent jitter values were compared across the two groups using t-tests set at a significance level of p = 0.05. Results It was shown that D2 values covary with the presence of pathology in children. D2 values were significantly higher in dysphonic children than in normal children (p = 0.002). Standard deviations indicated a higher level of variation in normal children’s D2 values than in dysphonic children’s D2 values. Jitter analysis showed markedly higher percent jitter in dysphonic children than in normal children (p = 0.025) and large standard deviations for both groups. Conclusion This study indicates that nonlinear dynamic analysis could be a viable tool for the detection and assessment of dysphonia in children. Further investigations and more normative data are needed to create standards for using nonlinear dynamic parameters for the clinical evaluation of pediatric dysphonia. PMID:18947887

  20. The Muralla Pircada: an ancient Andean debris flow retention dam, Santa Rita B archaeological site, Chao Valley, Northern Peru

    Science.gov (United States)

    Brooks, William E.; Willett, Jason C.; Kent, Jonathan D.; Vasquez, Victor; Rosales, Teresa

    2005-01-01

    Debris flows caused by El Niño events, earthquakes, and glacial releases have affected northern Perú for centuries. The Muralla Pircada, a northeast-trending, 2.5 km long stone wall east of the Santa Rita B archaeological site (Moche-Chimú) in the Chao Valley, is field evidence that ancient Andeans recognized and, more importantly, attempted to mitigate the effects of debris flows. The Muralla is upstream from the site and is perpendicular to local drainages. It is 1–2 m high, up to 5 m wide, and is comprised of intentionally-placed, well-sorted, well-rounded, 20–30 cm cobbles and boulders from nearby streams. Long axes of the stones are gently inclined and parallel local drainage. Case-and-fill construction was used with smaller cobbles and pebbles used as fill. Pre-Muralla debris flows are indicated by meter-sized, angular boulders that were incorporated in-place into construction of the dam and are now exposed in breeches in the dam. Post-Muralla debris flows in the Chao Valley are indicated by meter-sized, angular boulders that now abut the retention dam.

  1. USGS environmental characterization of flood sediments left in the New Orleans area after Hurricanes Katrina and Rita, 2005--Progress Report

    Science.gov (United States)

    Plumlee, Geoffrey S.; Meeker, Gregory P.; Lovelace, John K.; Rosenbauer, Robert J.; Lamothe, Paul J.; Furlong, Edward T.; Demas, Charles R.

    2006-01-01

    Introduction: The flooding in the greater New Orleans area that resulted from Hurricanes Katrina and Rita in September, 2005, left behind accumulations of sediments up to many centimeters thick on streets, lawns, parking lots, and other flat surfaces. These flood sediment deposits have been the focus of extensive study by the US Environmental Protection Agency (EPA) and Louisiana Department of Environmental Quality (LDEQ) due to concerns that the sediments may contain elevated levels of heavy metals, organic contaminants, and microbes. The U.S. Geological Survey (USGS) is characterizing a limited number of flood sediment samples that were collected on September 15-16 and October 6-7, 2005, from the greater New Orleans area by personnel from the USGS Louisiana Water Science Center in Baton Rouge. Small samples (< 3 pints each) of wet to dry flood sediment were collected from 11 localities around downtown New Orleans on September 15, 2005, and two large samples (40 pints each) of wet flood sediment were collected from the Chalmette area on September 16. Twelve additional samples (8-10 pints each) were collected from New Orleans, Slidell, Rigolets, and Violet on October 6 and 7. The USGS characterization studies of these flood sediments are designed to produce data and interpretations regarding how the sediments and any contained contaminants may respond to environmental processes. This information will be of use to cleanup managers and DoI/USGS scientists assessing environmental impacts of the hurricanes and subsequent cleanup activities.

  2. A CONSTRUÇÃO DO LUGAR DE VIVER: PROJETO DE ASSENTAMENTO SANTA RITA EM JATAÍ – GO

    Directory of Open Access Journals (Sweden)

    Roberta Costa ROCHA

    2015-07-01

    Full Text Available A pesquisa da qual resulta este artigo tem como objeto o assentamento rural, enquanto modo de resistência camponesa para a sua permanência no campo, e a construção do lugar de viver nesse assentamento. Os atores da pesquisa são as famílias do Projeto de Assentamento Santa Rita, localizado no município de Jataí-GO, que, em um novo meio, constroem o seu lugar, dando-lhe significação e ressignificação enquanto lugar camponês. O estudo do lugar abre perspectivas para se pensar o viver e os processos de apropriação do espaço. Metodologicamente, os dados primários foram levantados através de entrevistas semiestruturadas e de aplicação de questionários e os dados secundários foram obtidos através de pesquisas bibliográficas, no intuito de aprofundar a discussão proposta.

  3. Observations of the structure and evolution of surface and flight-level wind asymmetries in Hurricane Rita (2005)

    Science.gov (United States)

    Rogers, Robert; Uhlhorn, Eric

    2008-11-01

    Knowledge of the magnitude and distribution of surface winds, including the structure of azimuthal asymmetries in the wind field, are important factors for tropical cyclone forecasting. With its ability to remotely measure surface wind speeds, the stepped frequency microwave radiometer (SFMR) has assumed a prominent role for the operational tropical cyclone forecasting community. An example of this instrument's utility is presented here, where concurrent measurements of aircraft flight-level and SFMR surface winds are used to document the wind field evolution over three days in Hurricane Rita (2005). The amplitude and azimuthal location (phase) of the wavenumber-1 asymmetry in the storm-relative winds varied at both levels over time. The peak was found to the right of storm track at both levels on the first day. By the third day, the peak in flight-level storm-relative winds remained to the right of storm track, but it shifted to left of storm track at the surface, resulting in a 60-degree shift between the surface and flight-level and azimuthal variations in the ratio of surface to flight-level winds. The asymmetric differences between the surface and flight-level maximum wind radii also varied, indicating a vortex whose tilt was increasing.

  4. Prediction of core level binding energies in density functional theory: Rigorous definition of initial and final state contributions and implications on the physical meaning of Kohn-Sham energies.

    Science.gov (United States)

    Pueyo Bellafont, Noèlia; Bagus, Paul S; Illas, Francesc

    2015-06-07

    A systematic study of the N(1s) core level binding energies (BE's) in a broad series of molecules is presented employing Hartree-Fock (HF) and the B3LYP, PBE0, and LC-BPBE density functional theory (DFT) based methods with a near HF basis set. The results show that all these methods give reasonably accurate BE's with B3LYP being slightly better than HF but with both PBE0 and LCBPBE being poorer than HF. A rigorous and general decomposition of core level binding energy values into initial and final state contributions to the BE's is proposed that can be used within either HF or DFT methods. The results show that Koopmans' theorem does not hold for the Kohn-Sham eigenvalues. Consequently, Kohn-Sham orbital energies of core orbitals do not provide estimates of the initial state contribution to core level BE's; hence, they cannot be used to decompose initial and final state contributions to BE's. However, when the initial state contribution to DFT BE's is properly defined, the decompositions of initial and final state contributions given by DFT, with several different functionals, are very similar to those obtained with HF. Furthermore, it is shown that the differences of Kohn-Sham orbital energies taken with respect to a common reference do follow the trend of the properly calculated initial state contributions. These conclusions are especially important for condensed phase systems where our results validate the use of band structure calculations to determine initial state contributions to BE shifts.

  5. A Cáritas brasileira e a Economia Popular Solidária: O Agente de Cáritas e a Caridade Libertadora (Brazilian Caritas and the Popular Solidarity Economy: The Agent of Caritas and the Charity Liberating) - DOI: 10.5752/P.2175-5841.2013v11n32p1506

    OpenAIRE

    Joannes Paulus Silva Forte; Alicia Ferreira Gonçalves

    2013-01-01

    O presente artigo analisa as ligações entre a Cáritas Brasileira e a Economia Popular Solidária a partir do trabalho do Agente de Cáritas. A problemática central do artigo remete às representações sociais que esses Agentes constroem em seus relatos sobre os princípios da Teologia da Libertação que norteiam os projetos em economia solidária da referida instituição religiosa. A metodologia de base qualitativa e etnográfica consistiu na realização da revisão bibliográfica, consulta a materiais i...

  6. Band-structure calculations of noble-gas and alkali halide solids using accurate Kohn-Sham potentials with self-interaction correction

    International Nuclear Information System (INIS)

    Li, Y.; Krieger, J.B.; Norman, M.R.; Iafrate, G.J.

    1991-01-01

    The optimized-effective-potential (OEP) method and a method developed recently by Krieger, Li, and Iafrate (KLI) are applied to the band-structure calculations of noble-gas and alkali halide solids employing the self-interaction-corrected (SIC) local-spin-density (LSD) approximation for the exchange-correlation energy functional. The resulting band gaps from both calculations are found to be in fair agreement with the experimental values. The discrepancies are typically within a few percent with results that are nearly the same as those of previously published orbital-dependent multipotential SIC calculations, whereas the LSD results underestimate the band gaps by as much as 40%. As in the LSD---and it is believed to be the case even for the exact Kohn-Sham potential---both the OEP and KLI predict valence-band widths which are narrower than those of experiment. In all cases, the KLI method yields essentially the same results as the OEP

  7. Local Fitting of the Kohn-Sham Density in a Gaussian and Plane Waves Scheme for Large-Scale Density Functional Theory Simulations.

    Science.gov (United States)

    Golze, Dorothea; Iannuzzi, Marcella; Hutter, Jürg

    2017-05-09

    A local resolution-of-the-identity (LRI) approach is introduced in combination with the Gaussian and plane waves (GPW) scheme to enable large-scale Kohn-Sham density functional theory calculations. In GPW, the computational bottleneck is typically the description of the total charge density on real-space grids. Introducing the LRI approximation, the linear scaling of the GPW approach with respect to system size is retained, while the prefactor for the grid operations is reduced. The density fitting is an O(N) scaling process implemented by approximating the atomic pair densities by an expansion in one-center fit functions. The computational cost for the grid-based operations becomes negligible in LRIGPW. The self-consistent field iteration is up to 30 times faster for periodic systems dependent on the symmetry of the simulation cell and on the density of grid points. However, due to the overhead introduced by the local density fitting, single point calculations and complete molecular dynamics steps, including the calculation of the forces, are effectively accelerated by up to a factor of ∼10. The accuracy of LRIGPW is assessed for different systems and properties, showing that total energies, reaction energies, intramolecular and intermolecular structure parameters are well reproduced. LRIGPW yields also high quality results for extended condensed phase systems such as liquid water, ice XV, and molecular crystals.

  8. Flora pteridofítica de fragmentos florestais do Parque Estadual de Vassununga – Santa Rita do Passa Quatro, SP. Pteridophyte flora of forest fragments in Vassununga State Park – Santa Rita do Passa Quatro, São Paulo, Brazil.

    Directory of Open Access Journals (Sweden)

    Áurea Maria Therezinha COLLI

    2014-06-01

    Full Text Available Este trabalho apresenta o levantamento da flora pteridofítica de dois fragmentos florestais do Parque Estadual de Vassununga, unidade de conservação localizada no município de Santa Rita do Passa Quatro, SP. Para tanto, foram realizadas onze excursões por caminhos e trilhas de fiscalização e de pesquisa. Na Gleba Maravilha, que apresenta vegetação de Floresta Estacional Semidecidual Montana e Floresta Estacional Semidecidual Aluvial com inundação temporária, foram encontradas 10 famílias, 18 gêneros e 35 espécies, sendo Pteridaceae, Thelypteridaceae, Aspleniaceae, e Polypodiaceae as famílias mais ricas com nove, sete, seis e cinco espécies, respectivamente. Na Gleba Capão da Várzea, onde ocorre a Floresta Paludosa e o Campo Antrópico, ocorreram nove famílias, 14 gêneros e 24 espécies, onde Thelypteridaceae e Polypodiaceae se apresentaram como as mais ricas, com oito e seis espécies, respectivamente. As Glebas do Parque Estadual de Vassununga com as suas diferentes fisionomias vegetais são áreas importantes para a conservação de pteridófitas na região nordeste do Estado de São Paulo, principalmente as típicas de Floresta Estacional Semidecidual Montana e de Floresta Paludosa como Blechnum brasiliense, Campyloneurum angustifolium, Cyclodium meniscioides, Osmunda regalis, Pityrogramma calomelanos e Thelypteris opposita. This work presents a survey on pteridophyte flora of two forest fragments in Vassununga State Park, a conservation unit located in the city of Santa Rita do Passa Quatro, São Paulo, Brazil. In order to carry out the survey, a series of eleven tours on old inspection and research trails were made. In the Maravilha Tract, which consists of Seasonal Semi-Deciduous Montane Forest and Seasonal Semideciduous Alluvial Forest with temporary flooding, 10 families, 18 genera, and 35 species were found, the richest families were Pteridaceae, Thelypteridaceae, Aspleniaceae, and Polypodiaceae, with nine, seven

  9. Pteridófitas do Parque Estadual de Vassununga, Santa Rita do Passa Quatro (SP, Brasil. Gleba Pé-de-Gigante. Pteridophytes from Vassununga State Park, Santa Rita do Passa Quatro, SP, Brazil. Gleba Pé-de-Gigante.

    Directory of Open Access Journals (Sweden)

    Áurea Maria Therezinha COLLI

    2004-12-01

    Full Text Available Neste trabalho foi realizado um levantamentode pteridófitas na Gleba Pé-de-Gigante do ParqueEstadual de Vassununga, localizado no municípiode Santa Rita do Passa Quatro, sob as coordenadas21º36’39,01054’’S e 47º37’03,46727’’W. As coletasforam realizadas em três trilhas, denominadasTrilha do Meliponário, Trilha do Córrego Paulicéiae Trilha da Torre. Foram reconhecidas 15 espéciesde pteridófitas pertencentes a 7 famílias. Dessas,as mais representativas foram Polypodiaceae eThelypteridaceae com quatro espécies cada,e Pteridaceae e Schizaeaceae que apresentaramduas espécies cada. Das 15 espécies registradas9 apresentam distribuição bastante restrita, ocorrendoapenas na Trilha do Córrego Paulicéia. Por outrolado, Microgramma squamulosa (Kaulf. de laSota, Pleopeltis angusta Willd e Polypodiumpolypodioides (L. Watt são as espécies deocorrência mais ampla. Em todas as trilhas hápteridófitas, sendo que a Trilha do CórregoPaulicéia é a mais rica, e a Trilha da Torre a maispobre em número de espécies. As pteridófitasocorrem no cerrado “sensu stricto”, cerradão e nafloresta de galeria. A maior diversidade de espéciesfoi encontrada na floresta de galeria.This work presents a pteridophyticalsurvey carried out at the Gleba Pé-de-Gigante ofthe Vassununga State Park, in the municipality ofSanta Rita do Passa Quatro (21º36’39.01054’’Sand 47º37’03.46727’’W. Collections wereaccomplished at three trails called “Trilha doMeliponário, Trilha do Córrego Paulicéia andTrilha da Torre ”. Fifteen species of pteridophytespertaining to 7 families were recognized. From these,the most representative ones were Polypodiaceaeand Thelypteridaceae, with 4 species each, andPteridaceae and Schizaeaceae, with two specieseach. From the 15 species registered, nine present avery restricted distribution occurring only in the“Trilha do Córrego Paulic��ia”, Microgrammasquamulosa, Pleopeltis angusta and

  10. Pteridófitas do Parque Estadual da Vassununga, Santa Rita do Passa Quatro (SP, Brasil. Glebas Capetinga Leste e Capetinga Oeste. Pteridophytes from Vassununga State Park, Santa Rita do Passa Quatro, SP, Brazil. Glebas Capetinga Leste and Capetinga Oeste.

    Directory of Open Access Journals (Sweden)

    Áurea Maria Therezinha COLLI

    2004-06-01

    Full Text Available Neste trabalho foi realizado umlevantamento de pteridófitas nas Glebas CapetingaLeste e Capetinga Oeste do Parque Estadual daVassununga, localizado no município de Santa Rita doPassa Quatro, sob as coordenadas 21º41’00’’ –21º41’21’’S e 47º34’37’’ – 47º39’39’’W. As coletasforam realizadas em quatro trilhas, denominadasTrilha da Mina, Trilha do Ribeirão Bebedouro,Trilha dos Jequitibás e Trilha do Córrego da Gruta.Foram reconhecidas 34 espécies de pteridófitaspertencentes a 10 famílias. Destas, as maisrepresentativas foram Polypodiaceae e Thelypteridaceaecom seis espécies cada e Aspleniaceae e Pteridaceaeque apresentaram cinco espécies cada. Das 34espécies registradas 10 apresentam distribuiçãobastante restrita, ocorrendo apenas na Trilha da Mina.Por outro lado, Polypodium polypodioides (L. Watt,Pteris denticulata var. denticulata Sw eThelypteris dentata (Forssk. E. St. John são asespécies de ocorrência mais ampla. Em todas astrilhas há pteridófitas, sendo que a Trilha da Minaé a mais rica e a Trilha do Ribeirão Bebedouro amais pobre em número de espécies. As pteridófitasocorrem na floresta estacional semidecidual e namata ciliar. A maior diversidade de espécies foiencontrada na floresta estacional semidecidual.This work presents a pteridophyticalsurvey carried out at Glebas Capetinga Leste andCapetinga Oeste at Vassununga State Park,Santa Rita do Passa Quatro county, (21º41’00’’ –21º41’21’’S and 47º34’37’’ – 47º39’39’’W.Collections were done at four places called “Trilhada Mina”, “Trilha do Ribeirão Bebedouro”, “Trilhados Jequitibás” and “Trilha do Córrego da Gruta.”Thirty-four species of pteridophytes pertaining to10 families were recognized. Among them, themost representative ones were Polypodiaceaeand Thelypteridaceae, with six species each,and Aspleniaceae and Pteridaceae, with fivespecies each. Considering the 34 species registered,10

  11. Usefulness of the admission electrocardiogram to predict long-term outcomes after non-ST-elevation acute coronary syndrome (from the FRISC II, ICTUS, and RITA-3 [FIR] Trials)

    DEFF Research Database (Denmark)

    Damman, Peter; Holmvang, Lene; Tijssen, Jan G P

    2012-01-01

    Instability in Coronary Artery Disease (FRISC II), Invasive Versus Conservative Treatment in Unstable Coronary Syndromes (ICTUS), and Randomized Intervention Trial of Unstable Angina 3 (RITA-3) patient-pooled database, 5,420 patients with NSTE-ACS with qualitative ECG data, of whom 2,901 had quantitative data...... the addition of quantitative characteristics to a model including qualitative characteristics. In conclusion, in the FRISC II, ICTUS, and RITA-3 NSTE-ACS patient-pooled data set, admission ECG characteristics provided long-term prognostic value for cardiovascular death or myocardial infarction. Quantitative...

  12. Multi-proxy Characterization of Two Recent Storm Deposits Attributed to Hurricanes Rita and Ike in the Chenier Plain of Southwestern Louisiana

    Science.gov (United States)

    Yao, Q.; Liu, K. B.; Ryu, J.

    2017-12-01

    The Chenier Plain in southwestern Louisiana owes its origin to dynamic depositional processes that are dominated by delta-switching of the Mississippi River to the east, while frequent hurricane activities also play an important role in its geomorphology and sedimentary history. However, despite several studies in the literature, the sediment-stratigraphic characteristics of recent or historic hurricane deposits are still not well documented from the Chenier Plain. In 2005 and 2008, Hurricane Rita (category 3) and Ike (category 2) made landfall on the coasts of Louisiana and Texas. Remote sensing images confirm that the Rockefeller Wildlife Refuge, located at the east end of the Louisiana Chenier Plain, was heavily impacted by both hurricanes. We analyzed the lithology and chemical stratigraphy of three 30 cm sediment monoliths (ROC-1, ROC-2, and ROC-3) recovered from a coastal saltmarsh in the Rockefeller Wildlife Refuge to identify the event deposits attributed to these two storms. Each monolith contains 2 distinct light-colored clastic sediment layers imbedded in brown organic clay. The loss-on-ignition and X-ray fluorescence results show that the hurricane layers have increased contents of Ca, Sr, Zr, and carbonates and decreased contents of water and organics. Surprisingly, despite its greater intensity and more severe impacts, Hurricane Rita left a much thinner storm deposit than did Hurricane Ike in all monoliths. Satellite data reveal that Hurricane Rita caused significant coastal erosion and shoreline recession, rendering the sampling sites much closer to the beach and ocean and therefore more prone to storm surges and overwash deposition than when Hurricane Ike struck three years later. Our results suggest that site-to-sea distance, which affects a study site's paleotempestological sensitivity, can play a bigger role in affecting the thicknesses of storm deposits than the intensity of the hurricane.

  13. Florística em um hectare de cerrado stricto sensu na ARIE - cerrado Pé-de-Gigante, Santa Rita do Passa Quatro, SP

    OpenAIRE

    Weiser, Veridiana de Lara; Godoy, Silvana Aparecida Pires de

    2001-01-01

    Foi realizado um levantamento florístico em um ha de cerrado stricto sensu, na parte norte da ARIE - Cerrado Pé-de-Gigante, Santa Rita do Passa Quatro, São Paulo. Foram coletados 428 espécimes em fase reprodutiva, em vinte e cinco excursões de coleta, durante o período de novembro de 1996 a abril de 1998. A listagem florística obtida apresenta 141 espécies, distribuídas em 109 gêneros e 49 famílias. As famílias mais representativas foram: Leguminosae, Asteraceae, Malpighiaceae e Myrtaceae. A ...

  14. Looking for the Silver Lining: Benefit Finding after Hurricanes Katrina and Rita in Middle-Aged, Older, and Oldest-Old Adults

    OpenAIRE

    Stanko, Katie E.; Cherry, Katie E.; Ryker, Kyle S.; Mughal, Farra; Marks, Loren D.; Brown, Jennifer Silva; Gendusa, Patricia F.; Sullivan, Marisa C.; Bruner, John; Welsh, David A.; Su, L. Joseph; Jazwinski, S. Michal

    2015-01-01

    Looking for potentially positive outcomes is one way that people cope with stressful events. In two studies, we examined perceived “silver linings” after the 2005 Hurricanes Katrina and Rita among indirectly affected adults. In Study 1, middle-aged (ages 47–64 years), older (ages 65–89 years), and oldest-old (ages 90–95 years) adults in the Louisiana Healthy Aging Study (LHAS) responded to an open-ended question on perceived silver linings in a longitudinal assessment carried out during the i...

  15. Pb and Sr isotopic systematics of some basalts and sulfides from the East Pacific Rise at 210N (project RITA)

    International Nuclear Information System (INIS)

    Vidal, P.; Clauer, N.

    1981-01-01

    Tholeiitic basalts and sulfide deposits from the 'Cyana' and 'Alvin' diving programs (RITA project) on the East Pacific Rise were analyzed for Pb and Sr isotopes. The basalt data plot within the field defined previously by other East Pacific Rise basalts ( 206 Pb/ 204 Pb: 18.35-18.58; 207 Pb/ 204 Pb: 15.48-15.53; 208 Pb/ 204 Pb: 37.8-38.1; 87 Sr/ 86 Sr: 0.7022-0.7025). Pb, U and Sr contents (approx. equal to 0.5, approx. equal to 0.05 and approx. equal to 110 ppm, respectively) and μ values (approx. equal to 6) are typical of MORB, whereas Th/U ratios (approx. equal to 3.5) are significantly higher. The Pb isotopic ratios of the sulfide samples are very homogeneous ( 206 Pb/ 204 Pb approx. equal to 18.47, 207 Pb/ 204 Pb approx. equal to 15.49, 208 Pb/ 204 Pb approx. equal to 37.90), and plot in the middle of the basalt field. This indicates that the sulfide Pb was derived from the basaltic crust without any significant contribution from either seawater or hemipelagic sediments, and the solutions from which the sulfiedes were deposited had uniform Pb isotopic composition. The Pb contents of three sulfide samples is relatively high (170-1310 ppm). The Sr contents of five sulfide samples are widely scattered from 12 to 210 ppm, with 87 Sr/ 86 Sr ratios intermediate between basaltic and seawater values (0.70554 +- 0.00005 to 0.70795 +- 0.00011). Leaching experiments show that both basalt-derived Sr and seawater Sr were present in the solutions which deposited the sulfides. In some cases, Sr was also adsorbed from seawater onto the sulfides following their deposition. Basalt-derived Sr and seawater Sr are also present in associated non-sulfide phases. (orig.)

  16. Sleep deprivation and adverse health effects in United States Coast Guard responders to Hurricanes Katrina and Rita.

    Science.gov (United States)

    Bergan, Timothy; Thomas, Dana; Schwartz, Erica; McKibben, Jodi; Rusiecki, Jennifer

    2015-12-01

    Disaster responders are increasingly called upon to assist in various natural and manmade disasters. A critical safety concern for this population is sleep deprivation; however, there are limited published data regarding sleep deprivation and disaster responder safety. We expanded upon a cross-sectional study of 2695 United States Coast Guard personnel who responded to Hurricanes Katrina and Rita. Data were collected via survey on self-reported timing and location of deployment, missions performed, health effects, medical treatment sought, average nightly sleep, and other lifestyle variables. We created a 4-level sleep deprivation metric based on both average nightly reported sleep (d5hours; >5hours) and length of deployment (d2weeks; >2weeks) to examine the association between sustained sleep deprivation and illnesses, injuries, and symptoms using logistic regression to calculate odds ratios (ORs) and 95% confidence intervals. The strongest, statistically significant positive ORs for the highest sleep deprivation category compared with the least sleep-deprived category were for mental health and neurologic effects, specifically depression (OR=6.76), difficulty concentrating (OR=8.33), and confusion (OR=11.34), and for dehydration (OR=9.0). Injuries most strongly associated with sleep deprivation were twists, sprains, and strains (OR=6.20). Most health outcomes evaluated had monotonically increasing ORs with increasing sleep deprivation, and P tests for trend were statistically significant. Agencies deploying disaster responders should understand the risks incurred to their personnel by sustained sleep deprivation. Improved planning of response efforts to disasters can reduce the potential for sleep deprivation and lead to decreased morbidity in disaster responders. Published by Elsevier Inc.

  17. The provenance and Sm/Nd Model ages of siliciclastic supracrustal rocks of the Faina and Santa Rita Greenstone belts, Goias, Brazil; Proveniencia e idades modelo Sm/Nd das rochas siliciclasticas arqueanas dos greenstone belts de Faina e Santa Rita, Goias

    Energy Technology Data Exchange (ETDEWEB)

    Resende, Marcelo Goncalves [Universidade Catolica de Brasilia, DF (Brazil); Jost, Hardy [Brasilia Univ., DF (Brazil). Inst. de Geociencias; Lima, Bruno Eustaquio Moreira; Teixeira, Alexandre de Amorim

    1999-09-01

    The Faina and Santa Rita greenstone belts are two N 60 deg C W trending synclinoria separated by a N 30 deg C E strike-slip fault and rest allochtonous on the adjacent Uva and Caicara granite-gneiss complexes. The belts are made up of lower metakomatiites, followed by metabasalts and thick metasedimentary sequences deposited under contrasting paleogeographic settings. In Faina, the sequence consists of two complete shelf cycles, the first resting on basalts by an erosional unconformity. In Santa Rita, the basalts give gradually place to carbonaceous metashales, unconformably overlain by metarhythmites. Provenance based on trace element geochemistry, mineral chemistry of chloride and muscovite, source-are modeling and REE elements indicate that protoliths of the first shelf cycle of Faina and the carbonaceous metashales of Santa Rita formed under the influence of a source area dominated by mafic ultramafic rocks, whilst during the sedimentation of the second shelf cycle and the metarhythmites of Santa Rita the source-area was dominated by TTG granitoids. Sm-Nd model ages of the lower sedimentary packages vary between 3.0 and 2.8 Ga and the upper between 2.7 and 2.6 Ga. These intervals coincide, respectively, with the estimated age of the underlying, and with the Sm-Nd, Rb-Sr e U-Pb ages of the main granitoids and gneisses of the adjacent complexes. The same data indicate that, during the sedimentation of the first shelf cycle of Faina and the carbonaceous metashales of Santa Rita, both basins had independent source-areas, but shared the same source during the upper sections. Weathering nature and intensity of the source-area calculated by means of geochemical a data suggest that the dramatic change of provenance from the lower to the upper sections is due to the shift from tectonically stable to unstable regimes, interpreted as resulting from the emergence of the island arc whose roots are represented by the adjacent granite-gneiss complexes. (author)

  18. Combination of Wavefunction and Density Functional Approximations for Describing Electronic Correlation

    Science.gov (United States)

    Garza, Alejandro J.

    Perhaps the most important approximations to the electronic structure problem in quantum chemistry are those based on coupled cluster and density functional theories. Coupled cluster theory has been called the ``gold standard'' of quantum chemistry due to the high accuracy that it achieves for weakly correlated systems. Kohn-Sham density functionals based on semilocal approximations are, without a doubt, the most widely used methods in chemistry and material science because of their high accuracy/cost ratio. The root of the success of coupled cluster and density functionals is their ability to efficiently describe the dynamic part of the electron correlation. However, both traditional coupled cluster and density functional approximations may fail catastrophically when substantial static correlation is present. This severely limits the applicability of these methods to a plethora of important chemical and physical problems such as, e.g., the description of bond breaking, transition states, transition metal-, lanthanide- and actinide-containing compounds, and superconductivity. In an attempt to tackle this problem, nonstandard (single-reference) coupled cluster-based techniques that aim to describe static correlation have been recently developed: pair coupled cluster doubles (pCCD) and singlet-paired coupled cluster doubles (CCD0). The ability to describe static correlation in pCCD and CCD0 comes, however, at the expense of important amounts of dynamic correlation so that the high accuracy of standard coupled cluster becomes unattainable. Thus, the reliable and efficient description of static and dynamic correlation in a simultaneous manner remains an open problem for quantum chemistry and many-body theory in general. In this thesis, different ways to combine pCCD and CCD0 with density functionals in order to describe static and dynamic correlation simultaneously (and efficiently) are explored. The combination of wavefunction and density functional methods has a long

  19. Robust determination of the chemical potential in the pole expansion and selected inversion method for solving Kohn-Sham density functional theory

    Science.gov (United States)

    Jia, Weile; Lin, Lin

    2017-10-01

    Fermi operator expansion (FOE) methods are powerful alternatives to diagonalization type methods for solving Kohn-Sham density functional theory (KSDFT). One example is the pole expansion and selected inversion (PEXSI) method, which approximates the Fermi operator by rational matrix functions and reduces the computational complexity to at most quadratic scaling for solving KSDFT. Unlike diagonalization type methods, the chemical potential often cannot be directly read off from the result of a single step of evaluation of the Fermi operator. Hence multiple evaluations are needed to be sequentially performed to compute the chemical potential to ensure the correct number of electrons within a given tolerance. This hinders the performance of FOE methods in practice. In this paper, we develop an efficient and robust strategy to determine the chemical potential in the context of the PEXSI method. The main idea of the new method is not to find the exact chemical potential at each self-consistent-field (SCF) iteration but to dynamically and rigorously update the upper and lower bounds for the true chemical potential, so that the chemical potential reaches its convergence along the SCF iteration. Instead of evaluating the Fermi operator for multiple times sequentially, our method uses a two-level strategy that evaluates the Fermi operators in parallel. In the regime of full parallelization, the wall clock time of each SCF iteration is always close to the time for one single evaluation of the Fermi operator, even when the initial guess is far away from the converged solution. We demonstrate the effectiveness of the new method using examples with metallic and insulating characters, as well as results from ab initio molecular dynamics.

  20. Gold–superheavy-element interaction in diatomics and cluster adducts: A combined four-component Dirac-Kohn-Sham/charge-displacement study

    Energy Technology Data Exchange (ETDEWEB)

    Rampino, Sergio, E-mail: srampino@thch.unipg.it; Belpassi, Leonardo, E-mail: leonardo.belpassi@cnr.it [Istituto di Scienze e Tecnologie Molecolari, Consiglio Nazionale delle Ricerche c/o Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, Via Elce di Sotto 8, 06123 Perugia (Italy); Storchi, Loriano [Dipartimento di Farmacia, Università degli Studi “G. D’Annunzio,” Via dei Vestini 31, 66100 Chieti (Italy)

    2015-07-14

    The chemistry of superheavy elements (Z ≥ 104) is actively investigated in atom-at-a-time experiments of volatility through adsorption on gold surfaces. In this context, common guidelines for interpretation based on group trends in the periodic table should be used cautiously, because relativistic effects play a central role and may cause predictions to fall short. In this paper, we present an all-electron four-component Dirac-Kohn-Sham comparative study of the interaction of gold with Cn (Z = 112), Fl (Z = 114), and Uuo (Z = 118) versus their lighter homologues of the 6th period, Hg, Pb, and Rn plus the noble gas Xe. Calculations were carried out for Au–E (E = Hg, Cn, Pb, Fl, Xe, Rn, Uuo), Au{sub 7}– and Au{sub 20}–E (E = Hg, Cn, Pb, Fl, Rn) complexes, where Au{sub 7} (planar) and Au{sub 20} (pyramidal) are experimentally determined clusters having structures of increasing complexity. Results are analysed both in terms of the energetics of the complexes and of the electron charge rearrangement accompanying their formation. In line with the available experimental data, Cn and more markedly Fl are found to be less reactive than their lighter homologues. On the contrary, Uuo is found to be more reactive than Rn and Xe. Cn forms the weakest bond with the gold atom, compared to Fl and Uuo. The reactivity of Fl decreases with increasing gold-fragment size more rapidly than that of Cn and, as a consequence, the order of the reactivity of these two elements is inverted upon reaching the Au{sub 20}-cluster adduct. Density difference maps between adducts and fragments reveal similarities in the behaviour of Cn and Xe, and in that of Uuo and the more reactive species Hg and Pb. These findings are given a quantitative ground via charge-displacement analysis.

  1. MN15-L: A New Local Exchange-Correlation Functional for Kohn-Sham Density Functional Theory with Broad Accuracy for Atoms, Molecules, and Solids.

    Science.gov (United States)

    Yu, Haoyu S; He, Xiao; Truhlar, Donald G

    2016-03-08

    Kohn-Sham density functional theory is widely used for applications of electronic structure theory in chemistry, materials science, and condensed-matter physics, but the accuracy depends on the quality of the exchange-correlation functional. Here, we present a new local exchange-correlation functional called MN15-L that predicts accurate results for a broad range of molecular and solid-state properties including main-group bond energies, transition metal bond energies, reaction barrier heights, noncovalent interactions, atomic excitation energies, ionization potentials, electron affinities, total atomic energies, hydrocarbon thermochemistry, and lattice constants of solids. The MN15-L functional has the same mathematical form as a previous meta-nonseparable gradient approximation exchange-correlation functional, MN12-L, but it is improved because we optimized it against a larger database, designated 2015A, and included smoothness restraints; the optimization has a much better representation of transition metals. The mean unsigned error on 422 chemical energies is 2.32 kcal/mol, which is the best among all tested functionals, with or without nonlocal exchange. The MN15-L functional also provides good results for test sets that are outside the training set. A key issue is that the functional is local (no nonlocal exchange or nonlocal correlation), which makes it relatively economical for treating large and complex systems and solids. Another key advantage is that medium-range correlation energy is built in so that one does not need to add damped dispersion by molecular mechanics in order to predict accurate noncovalent binding energies. We believe that the MN15-L functional should be useful for a wide variety of applications in chemistry, physics, materials science, and molecular biology.

  2. Physiographic characterization and land use in Luiz Antônio and Santa Rita do Passa Quatro, SP, throughout the use of remote sensing and GIS

    Directory of Open Access Journals (Sweden)

    Cláudia Nagako Shida

    2012-03-01

    Full Text Available This study characterizes a region of about 82.655 ha, in Luiz Antônio and Santa Rita do Passa Quatro municipalities, SP, according to its physiography, vegetation and land uses, and identifies homogeneous landscape units which could be used for regional planning; the existence of relationships between the regional physiography and present land uses were verified. Using GIS techniques, homogeneous landscape units were identified according to physiography, land uses and native vegetation. The Chi-squaretest revealed significant associations between land uses and physiography, soil type being the most important one. Six homogeneous landscape units were identified, and in most of them, land uses were adequate according to the physiographic features. Agricultural and silvicultural activities are also present in areas of restricted use, where today's land uses should be replaced by more suitable ones.

  3. Chemical constituents in sediment in Lake Pontchartrain and in street mud and canal sediment in New Orleans, Louisiana, following Hurricanes Katrina and Rita, 2005

    Science.gov (United States)

    Van Metre, Peter C.; Wilson, Jennifer T.; Horowitz, Arthur J.; Skrobialowski, Stanley C.; Foreman, William T.; Fuller, Christopher C.; Burkhardt, Mark R.; Elrick, Kent A.; Mahler, Barbara J.; Smith, James J.; Zaugg, Steven D.

    2007-01-01

    Samples of street mud, suspended and bottom sediment in canals discharging to Lake Ponchartrain, and suspended and bottom sediment in the lake were collected and analyzed for chemical constituents to help evaluate the effects of Hurricanes Katrina and Rita and the subsequent unwatering of New Orleans, Louisiana. The approach used for sampling and analysis of chemical data for the study is presented herein. Radionuclides, major and trace elements, and numerous organic compounds in sediment were analyzed. The organic compounds include organochlorine pesticides, polychlorinated biphenyls, polycyclic aromatic hydrocarbons, urban waste indicator compounds, and current-use pesticides. Methods for the analysis of urban waste indicator compounds and current-use pesticides in sediment were developed only recently.

  4. Galls and gall makers in plants from the Pé-de-Gigante Cerrado Reserve, Santa Rita do Passa Quatro, SP, Brazil.

    Science.gov (United States)

    Urso-Guimarães, M V; Scareli-Santos, C

    2006-02-01

    Thirty-six morphologically different types of galls were obtained in leaves, leaflets, veins, petioles, stems, tendrils and flower buds from twenty-five species of plants in the Pé-de-Gigante Reserve, municipality of Santa Rita do Passa Quatro, state of São Paulo, Brazil. The host plant species belong to the closely related families Anacardiaceae, Annonaceae, Asteraceae, Bignoniaceae, Caryocaraceae, Erythroxylaceae, Fabaceae, Malpighiaceae, Melastomataceae, Myrtaceae, Ochnaceae, Polygalaceae, Sapindaceae, Sapotaceae, and Smilacaceae. The most common gall makers included Cecidomyiidae (Diptera), Pteromalidae (Hymenoptera) and Diaspididae (Sternorrhyncha-Hemiptera). This is the first report of galls found in the following plant genera: Gochnatia (Asteraceae), Distictela (Bignoniaceae), Banisteriopsis (Malpighiaceae), Ouratea (Ochnaceae), and Bredemeyera (Polygalaceae). The results of this work contribute to the body of knowledge about the relationship among host plants, gall makers, and the gall morphology of Pé-de-Gigante Cerrado Reserve.

  5. Galls and gall makers in plants from the Pé-de-Gigante Cerrado Reserve, Santa Rita do Passa Quatro, SP, Brazil

    Directory of Open Access Journals (Sweden)

    M. V. Urso-Guimarães

    Full Text Available Thirty-six morphologically different types of galls were obtained in leaves, leaflets, veins, petioles, stems, tendrils and flower buds from twenty-five species of plants in the Pé-de-Gigante Reserve, municipality of Santa Rita do Passa Quatro, state of São Paulo, Brazil. The host plant species belong to the closely related families Anacardiaceae, Annonaceae, Asteraceae, Bignoniaceae, Caryocaraceae, Erythroxylaceae, Fabaceae, Malpighiaceae, Melastomataceae, Myrtaceae, Ochnaceae, Polygalaceae, Sapindaceae, Sapotaceae, and Smilacaceae. The most common gall makers included Cecidomyiidae (Diptera, Pteromalidae (Hymenoptera and Diaspididae (Sternorrhyncha-Hemiptera. This is the first report of galls found in the following plant genera: Gochnatia (Asteraceae, Distictela (Bignoniaceae, Banisteriopsis (Malpighiaceae, Ouratea (Ochnaceae, and Bredemeyera (Polygalaceae. The results of this work contribute to the body of knowledge about the relationship among host plants, gall makers, and the gall morphology of Pé-de-Gigante Cerrado Reserve.

  6. Disaster-related exposures and health effects among US Coast Guard responders to Hurricanes Katrina and Rita: a cross-sectional study.

    Science.gov (United States)

    Rusiecki, Jennifer A; Thomas, Dana L; Chen, Ligong; Funk, Renée; McKibben, Jodi; Dayton, Melburn R

    2014-08-01

    Disaster responders work among poorly characterized physical and psychological hazards with little understood regarding health consequences of their work. A survey administered to 2834 US Coast Guard responders to Hurricanes Katrina and Rita provided data on exposures and health effects. Prevalence odds ratios (PORs) evaluated associations between baseline characteristics, missions, exposures, and health effects. Most frequent exposures were animal/insect vector (n = 1309; 46%) and floodwater (n = 817; 29%). Most frequent health effects were sunburn (n = 1119; 39%) and heat stress (n = 810; 30%). Significant positive associations were for mold exposure and sinus infection (POR = 10.39); carbon monoxide and confusion (POR = 6.27); lack of sleep and slips, trips, falls (POR = 3.34) and depression (POR = 3.01); being a Gulf-state responder and depression (POR = 3.22). Increasing protection for disaster responders requires provisions for adequate sleep, personal protective equipment, and access to medical and psychological support.

  7. Mapping the spatial and temporal dynamics of the velvet mesquite with MODIS and AVIRIS: Case study at the Santa Rita Experimental Range

    Science.gov (United States)

    Kaurivi, Jorry Zebby Ujama

    The general objective of this research is to develop a methodology that will allow mapping and quantifying shrub encroachment with remote sensing. The multitemporal properties of the Moderate Resolution Imaging Spectroradiometer (MODIS) -250m, 16-day vegetation index products were combined with the hyperspectral and high spatial resolution (3.6m) computation of the Airborne Visible-Infrared Imaging Spectrometer (AVIRIS) to detect the dynamics of mesquite and grass/soil matrix at two sites of high (19.5%) and low (5.7%) mesquite cover in the Santa Rita Experimental Range (SRER). MODIS results showed separability between grassland and mesquite based on phenology. Mesquite landscapes had longer green peak starting in April through February, while the grassland only peaked during the monsoon season (July through October). AVIRIS revealed spectral separability, but high variation in the data implicated high heterogeneity in the landscape. Nonetheless, the methodology for larger data was developed in this study and combines ground, air and satellite data.

  8. Abrogation of Wip1 expression by RITA-activated p53 potentiates apoptosis induction via activation of ATM and inhibition of HdmX

    Science.gov (United States)

    Spinnler, C; Hedström, E; Li, H; de Lange, J; Nikulenkov, F; Teunisse, A F A S; Verlaan-de Vries, M; Grinkevich, V; Jochemsen, A G; Selivanova, G

    2011-01-01

    Inactivation of the p53 tumour suppressor, either by mutation or by overexpression of its inhibitors Hdm2 and HdmX is the most frequent event in cancer. Reactivation of p53 by targeting Hdm2 and HdmX is therefore a promising strategy for therapy. However, Hdm2 inhibitors do not prevent inhibition of p53 by HdmX, which impedes p53-mediated apoptosis. Here, we show that p53 reactivation by the small molecule RITA leads to efficient HdmX degradation in tumour cell lines of different origin and in xenograft tumours in vivo. Notably, HdmX degradation occurs selectively in cancer cells, but not in non-transformed cells. We identified the inhibition of the wild-type p53-induced phosphatase 1 (Wip1) as the major mechanism important for full engagement of p53 activity accomplished by restoration of the ataxia telangiectasia mutated (ATM) kinase-signalling cascade, which leads to HdmX degradation. In contrast to previously reported transactivation of Wip1 by p53, we observed p53-dependent repression of Wip1 expression, which disrupts the negative feedback loop conferred by Wip1. Our study reveals that the depletion of both HdmX and Wip1 potentiates cell death due to sustained activation of p53. Thus, RITA is an example of a p53-reactivating drug that not only blocks Hdm2, but also inhibits two important negative regulators of p53 – HdmX and Wip1, leading to efficient elimination of tumour cells. PMID:21546907

  9. Multicenter Phase II Study with Weekly Bendamustine and Paclitaxel as First- or Later-Line Therapy in Patients with Metastatic Breast Cancer: RiTa II Trial.

    Science.gov (United States)

    Loibl, Sibylle; Doering, Gabriele; Müller, Lothar; Grote-Metke, Albert; Müller, Roberto; Tomé, Oliver; Wiest, Wolfgang; Maisch, Andrea; Nekljudova, Valentina; von Minckwitz, Gunter

    2011-12-01

    The combination of bendamustine (B) and paclitaxel (P) as anthracycline-free treatment option in patients with advanced breast cancer has been evaluated in the previous RiTa I trial. The regimen of weekly B 70 mg/m(2) and P 90 mg/m(2) with a pause every 4th week was established as an effective regimen with low toxicity. The aim of the present RiTa II study was to investigate the potential of BP as anthracycline-free combination therapy. The primary objective was to determine the progression-free survival (PFS); secondary endpoints were safety, tolerability, overall response rate (ORR) and overall survival (OS). 26 patients were available, 15 received BP as first-line, 11 as beyond first-line treatment. 27% patients had triple-negative breast cancer (TNBC). Median PFS and OS were 7.3 months (95% confidence interval (CI): 5.5-10.9) and 14.9 months (95% CI: 9.9-22.9), respectively. The 1-year PFS rate was 20.3% and the 1-year OS rate 71.2%. The ORR was 42.3%, including 4 complete and 7 partial remissions. TNBC patients reached an ORR of 71.4%. Anthracycline-pretreated patients showed an ORR of 43.8%, confirming bendamustine's lack of cross-resistance to anthracycline agents. BP represents a favorable option with moderate toxicity in pretreated metastatic breast cancer and offers a possibility for application in anthracycline-pretreated and TNBC patients.

  10. Abrogation of Wip1 expression by RITA-activated p53 potentiates apoptosis induction via activation of ATM and inhibition of HdmX.

    Science.gov (United States)

    Spinnler, C; Hedström, E; Li, H; de Lange, J; Nikulenkov, F; Teunisse, A F A S; Verlaan-de Vries, M; Grinkevich, V; Jochemsen, A G; Selivanova, G

    2011-11-01

    Inactivation of the p53 tumour suppressor, either by mutation or by overexpression of its inhibitors Hdm2 and HdmX is the most frequent event in cancer. Reactivation of p53 by targeting Hdm2 and HdmX is therefore a promising strategy for therapy. However, Hdm2 inhibitors do not prevent inhibition of p53 by HdmX, which impedes p53-mediated apoptosis. Here, we show that p53 reactivation by the small molecule RITA leads to efficient HdmX degradation in tumour cell lines of different origin and in xenograft tumours in vivo. Notably, HdmX degradation occurs selectively in cancer cells, but not in non-transformed cells. We identified the inhibition of the wild-type p53-induced phosphatase 1 (Wip1) as the major mechanism important for full engagement of p53 activity accomplished by restoration of the ataxia telangiectasia mutated (ATM) kinase-signalling cascade, which leads to HdmX degradation. In contrast to previously reported transactivation of Wip1 by p53, we observed p53-dependent repression of Wip1 expression, which disrupts the negative feedback loop conferred by Wip1. Our study reveals that the depletion of both HdmX and Wip1 potentiates cell death due to sustained activation of p53. Thus, RITA is an example of a p53-reactivating drug that not only blocks Hdm2, but also inhibits two important negative regulators of p53 - HdmX and Wip1, leading to efficient elimination of tumour cells.

  11. Resistência de Biomphalaria peregrina de Santa Rita do Sapucaí, Minas Gerais, a infecção com três cepas de Schistosoma mansoni Resistance of Biomphalaria peregrina from Santa Rita do Sapucaí, State of Minas Gerais, Brazil, to infection with strain of Schistosoma mansoni

    Directory of Open Access Journals (Sweden)

    Cecília Pereira de Souza

    1988-12-01

    Full Text Available Descendentes do planorbídeo Biomphalaria peregrina, coletados em Santa Rita do Sapucaí, Minas Gerais, Brasil, foram expostos a miracídios de três cepas de Schistosoma mansoni: "LE" de Belo Horizonte, MG; "SJ" de São José dos Campos, SP e "AL" do Estado de Alagoas. Dentre 300 exemplares expostos, nenhum se infectou com as três cepas do trematódeo. Por outro lado, 300 exemplares de B. glabrata, dos grupos de controle, apresentaram taxas de infecção de 61,1 a 95,3% com as três cepas do trematódeo. As taxas de mortalidade de B. peregrina e de B. glabrata foram de 20,0 e de 28,0%, respectivamente.The descendants of the planorbid snail Biomphalaria peregrina, collected in the region of Santa rita do Sapucaí, Minas Gerais, Brazil, were exposed to miracidia of three strains of Schistosoma mansoni: "LE" strain from Belo Horizonte, State of Minas Gerais; "SJ", strain from São José dos Campos, State of São Paulo and "AL" strain from State of Alagoas. Of 300 snails exposed to miracidia of the three strains, none was infected. On the other hand, 300 Biomphalaria glabrata of the control groups showed infection rates of 61.1 to 95.3% with three strains. The mortality rates of B. peregrina and B. glabrata were 20% and 28%, respectively.

  12. Centre cultural Santa Rita

    OpenAIRE

    Boixet Méndez, Oriol; Martín Casado, Sara; Mas Muñoz, Mireia; Montoya Martínez, Jose Ramón; Serena López, Álex; Vera Benjauma, Mercedes

    2013-01-01

    Situada en la comuna de Pelarco, la edificación consta de una superficie construida de 4.295 metros cuadrados. Dividida en 2 patios interiores y diferentes alas, se encuentra en una extensa superficie de terreno. La construcción original está formada por muros de adobe, pilares con base de piedra, fuste y capitel de madera, una techumbre compuesta por cerchas de madera en forma tradicional chilena conocida como tijeral, cubierta, también tradicional, de tejas cerámicas a cuatro ag...

  13. Drug resistance to inhibitors of the human double minute-2 E3 ligase is mediated by point mutations of p53, but can be overcome with the p53 targeting agent RITA.

    Science.gov (United States)

    Jones, Richard J; Bjorklund, Chad C; Baladandayuthapani, Veerabhadran; Kuhn, Deborah J; Orlowski, Robert Z

    2012-10-01

    The human double minute (HDM)-2 E3 ubiquitin ligase plays a key role in p53 turnover and has been validated preclinically as a target in multiple myeloma (MM) and mantle cell lymphoma (MCL). HDM-2 inhibitors are entering clinical trials, and we therefore sought to understand potential mechanisms of resistance in lymphoid models. Wild-type p53 H929 MM and Granta-519 MCL cells resistant to MI-63 or Nutlin were generated by exposing them to increasing drug concentrations. MI-63-resistant H929 and Granta-519 cells were resistant to Nutlin, whereas Nutlin-resistant cells displayed cross-resistance to MI-63. These cells also showed cross-resistance to bortezomib, doxorubicin, cisplatin, and melphalan, but remained sensitive to the small molecule inhibitor RITA (reactivation of p53 and induction of tumor cell apoptosis). HDM-2 inhibitor-resistant cells harbored increased p53 levels, but neither genotoxic nor nongenotoxic approaches to activate p53 induced HDM-2 or p21. Resequencing revealed wild-type HDM-2, but mutations were found in the p53 DNA binding and dimerization domains. In resistant cells, RITA induced a G(2)-M arrest, upregulation of p53 targets HDM-2, PUMA, and NOXA, and PARP cleavage. Combination regimens with RITA and MI-63 resulted in enhanced cell death compared with RITA alone. These findings support the possibility that p53 mutation could be a primary mechanism of acquired resistance to HDM-2 inhibitors in MCL and MM. Furthermore, they suggest that simultaneous restoration of p53 function and HDM-2 inhibition is a rational strategy for clinical translation.

  14. A review of the incidence and coincidence of uterine and mammary tumors in Wistar and Sprague-Dawley rats based on the RITA database and the role of prolactin.

    Science.gov (United States)

    Harleman, Johannes H; Hargreaves, Adam; Andersson, Håkan; Kirk, Sarah

    2012-08-01

    Wistar rats are frequently selected for use in carcinogenicity studies because of their advantageous survival rate, which is more favorable than other strains such as the Sprague-Dawley (SD) strain. Uterine and mammary tumors are relatively common spontaneous neoplasms of both strains. We examined the incidence and coincidence of uterine tumors and mammary tumors in control animals of both strains within the RITA database. There was a strong inverse relationship between these tumor types in Wistar rats (p 10%.

  15. A Cáritas brasileira e a Economia Popular Solidária: O Agente de Cáritas e a Caridade Libertadora (Brazilian Caritas and the Popular Solidarity Economy: The Agent of Caritas and the Charity Liberating - DOI: 10.5752/P.2175-5841.2013v11n32p1506

    Directory of Open Access Journals (Sweden)

    Joannes Paulus Silva Forte

    2013-12-01

    Full Text Available O presente artigo analisa as ligações entre a Cáritas Brasileira e a Economia Popular Solidária a partir do trabalho do Agente de Cáritas. A problemática central do artigo remete às representações sociais que esses Agentes constroem em seus relatos sobre os princípios da Teologia da Libertação que norteiam os projetos em economia solidária da referida instituição religiosa. A metodologia de base qualitativa e etnográfica consistiu na realização da revisão bibliográfica, consulta a materiais institucionais, observação in loco e entrevistas semiestruturadas com Agentes que atuam na Economia Popular Solidária no estado do Ceará. A análise das representações sinaliza que a própria noção de “Reino de Deus” na terra pressupõe a vinculação profunda entre religião e economia, mística e movimentos sociais, religião e Estado, configurando, dessa forma, um projeto de sociedade contra hegemônico que se vislumbra mediante a transformação radical da base econômica e moral do tecido social contrapondo individualismo à solidariedade. Palavras-chave: Cáritas Brasileira. Economia Popular Solidária. Caridade Libertadora. Teologia da Libertação.  Abstract This article examines the links between Brazilian Caritas and Popular Solidarity Economy from the work of Caritas Agent. The central issue of the article refers to the social representations that these agents build in his histories about the principles of Liberation Theology that guide the projects in solidarity economy of that religious institution. The basic methodology used was qualitative and ethnographic; It consisted in literature review, consultation to institutional materials, observation in loco and semi-structured interviews with agents who act in the Popular Solidarity Economy in the state of Ceará. The analysis of representations indicates that the very notion of "Kingdom of God" on earth presupposes deep linking between religion and economics, mystic

  16. A REESTRUTURAÇÃO PRODUTIVA E O CIRCUITO INFERIOR DO TURISMO NAS PRAIAS DE REDINHA NOVA, SANTA RITA E JENIPABU, EXTREMOZ – RN

    Directory of Open Access Journals (Sweden)

    José Alexandre Berto de Almada

    2017-03-01

    Cette étude vise à analyser le processus de restructuration productive du tourisme à Rio Grande do Norte du territoire utilisée par le circuit inférieur du tourisme sur les plages appartenant à APAJ, Redinha Nova, Santa Rita et Jenipabu dans la municipalité de Extremoz, afin de comprendre la relation dialectique de l'interdépendance entre dépendante circuit inférieur du tourisme dans ces plages et le circuit supérieur fait du tourisme dans la Via Costeira et plage de Ponta Negra à Natal. L'analyse du circuit inférieur a été réalisée à partir du travail de terrain, effectué entre Janvier et Juin 2014 dans l’APAJ, qui a interviewé presque tous les commerçants locaux, à l'exception des dix entreprises ou des commerçants fermés qui ont refusé de participer à l'entrevue, totalisant quatre-vingt dix six établissements visités. Au cours du travail sur le terrain, nous avons également recueilli des données cartographiques via l'unité GPS dans laquelle ils ont été utilisés dans la préparation des cartes de répartition spatiale de l'urbanisation et territoire utilisés par le circuit inférieur dans l’APAJ. Lors de la visite de la ville de NatalLes touristes ne sont pas seulement dans cette ville. Il existe une variété de lieux à visiter, à la fois sur la côte nord et la côte sud de Rio Grande do Norte. L'un de ces lieux sont les plages de l’APAJ, Redinha Nova, Santa Rita et Jenipabu où le processus d'urbanisation dans la Via Costeira et Ponta Negra rendu possible la mise en place du circuit touristique inférieur cette apa. L'afflux de touristes à ces plages apporte avec elle un discours de développement économique pour le lieu et pour les habitants. La contradiction entre les deux circuits est plus mauvais pour ceux qui sont sur le côté inférieur de l'économie. Alors que les entreprises du circuit supérieur visent l'accumulation de capital ainsi que les dividendes peuvent être utilisés dans de nouveaux

  17. Describing Earth system simulations with the Metafor CIM

    Directory of Open Access Journals (Sweden)

    B. N. Lawrence

    2012-11-01

    Full Text Available The Metafor project has developed a common information model (CIM using the ISO19100 series formalism to describe numerical experiments carried out by the Earth system modelling community, the models they use, and the simulations that result. Here we describe the mechanism by which the CIM was developed, and its key properties. We introduce the conceptual and application versions and the controlled vocabularies developed in the context of supporting the fifth Coupled Model Intercomparison Project (CMIP5. We describe how the CIM has been used in experiments to describe model coupling properties and describe the near term expected evolution of the CIM.

  18. Formation of processes erosion associated with the use and occupation of soil in the Ribeira river basin, city of Santa Rita / PB | Formação de erosão de processos associada ao uso e ocupação do solo na bacia do rio Ribeira, cidade de Santa Rita / PB

    Directory of Open Access Journals (Sweden)

    Caio Lima dos Santos

    2016-06-01

    Full Text Available The way the man has appropriated natural resources, has been revealed as the source of many problems in the environment, which has been reflected directly in the depletion of natural resources and quality of life. The erosion and loss of soil are part of these degenerative processes of the natural landscape. The watershed of the river Ribeira, located in Santa Rita, Paraíba State, is a current example of such processes that are directly associated with forms of land use. Actions arising mainly from the extensive cultivation of cane sugar has been revealed through the development of geomorphological processes that mark the landscape through erosional features, such as small fillets, grooves, and gully, plus a large amount of alluvial fans that protrude over the lowlands often silted water bodies.

  19. Aluminium and Alzheimer's disease: the science that describes the link

    National Research Council Canada - National Science Library

    Exley, Christopher

    2001-01-01

    ... that has been encircled is the gene for the amyloid precursor protein. (Thanks to Walter Lukiw for supplying this information.) Aluminium and Alzheimer's Disease: The Science that Describes the LinkAluminium and Alzheimer's Disease The Science that Describes the Link Edited by Christopher Exley Birchall Centre for Inorganic Chemistry and Materials Scienc...

  20. Describing function theory as applied to thermal and neutronic problems

    International Nuclear Information System (INIS)

    Nassersharif, B.

    1983-01-01

    Describing functions have traditionally been used to obtain the solutions of systems of ordinary differential equations. In this work the describing function concept has been extended to include nonlinear, distributed parameter partial differential equations. A three-stage solution algorithm is presented which can be applied to any nonlinear partial differential equation. Two generalized integral transforms were developed as the T-transform for the time domain and the B-transform for the spatial domain. The thermal diffusion describing function (TDDF) is developed for conduction of heat in solids and a general iterative solution along with convergence criteria is presented. The proposed solution method is used to solve the problem of heat transfer in nuclear fuel rods with annular fuel pellets. As a special instance the solid cylindrical fuel pellet is examined. A computer program is written which uses the describing function concept for computing fuel pin temperatures in the radial direction during reactor transients. The second problem investigated was the neutron diffusion equation which is intrinsically different from the first case. Although, for most situations, it can be treated as a linear differential equation, the describing function method is still applicable. A describing function solution is derived for two possible cases: constant diffusion coefficient and variable diffusion coefficient. Two classes of describing functions are defined for each case which portray the leakage and absorption phenomena. For the specific case of a slab reactor criticality problem the comparison between analytical and describing function solutions revealed an excellent agreement

  1. Type specimens of Pectinidae (Bivalvia) described by Ignaz von Born

    NARCIS (Netherlands)

    Dijkstra, H.H.

    2009-01-01

    Born described in two publications (1778, 1780) the molluscs in the collection of Empress Maria Theresa (1717-1780), now in the Natural History Museum at Vienna. In this paper the Pectinidae type material is described. Ten new species were introduced of which Argopecten nucleus (Born, 1778) and

  2. New Orleans before and after Hurricanes Katrina/Rita: a quasi-experiment of the association between soil lead and children's blood lead.

    Science.gov (United States)

    Zahran, Sammy; Mielke, Howard W; Gonzales, Christopher R; Powell, Eric T; Weiler, Stephan

    2010-06-15

    Prior to Hurricanes Katrina and Rita (HKR), significant associations were noted between soil lead (SL) and blood lead (BL) in New Orleans. Engineering failure of New Orleans levees and canal walls after HKR set the stage for a quasi-experiment to evaluate BL responses by 13 306 children to reductions in SL. High density soil surveying conducted in 46 census tracts before HKR was repeated after the flood. Paired t test results show that SL decreased from 328.54 to 203.33 mg/kg post-HKR (t = 3.296, p or =50% decrease in SL. Also individual BL in children was predicted as a function of SL, adjusting for age, year of observation, and depth of flood waters. At the individual scale, BL decreased significantly in post-HKR as a function of SL, with BL decreases ranging from b = -1.20 to -1.65 microg/dL, depending on the decline of SL and whether children were born in the post-HKR period. Our results support policy to improve soil conditions for children.

  3. Florística em um hectare de cerrado stricto sensu na ARIE - cerrado Pé-de-Gigante, Santa Rita do Passa Quatro, SP

    Directory of Open Access Journals (Sweden)

    Weiser Veridiana de Lara

    2001-01-01

    Full Text Available Foi realizado um levantamento florístico em um ha de cerrado stricto sensu, na parte norte da ARIE - Cerrado Pé-de-Gigante, Santa Rita do Passa Quatro, São Paulo. Foram coletados 428 espécimes em fase reprodutiva, em vinte e cinco excursões de coleta, durante o período de novembro de 1996 a abril de 1998. A listagem florística obtida apresenta 141 espécies, distribuídas em 109 gêneros e 49 famílias. As famílias mais representativas foram: Leguminosae, Asteraceae, Malpighiaceae e Myrtaceae. A floração e frutificação das espécies foram maiores no período chuvoso. Espécies zoocóricas (61 predominaram, seguidas pelas anemocóricas (46 e autocóricas (34. Analisou-se a flora como um todo e seus componentes herbáceo-subarbustivo e arbustivo-arbóreo, separadamente.

  4. Riems influenza a typing array (RITA): An RT-qPCR-based low density array for subtyping avian and mammalian influenza a viruses.

    Science.gov (United States)

    Hoffmann, Bernd; Hoffmann, Donata; Henritzi, Dinah; Beer, Martin; Harder, Timm C

    2016-06-03

    Rapid and sensitive diagnostic approaches are of the utmost importance for the detection of humans and animals infected by specific influenza virus subtype(s). Cascade-like diagnostics starting with the use of pan-influenza assays and subsequent subtyping devices are normally used. Here, we demonstrated a novel low density array combining 32 TaqMan(®) real-time RT-PCR systems in parallel for the specific detection of the haemagglutinin (HA) and neuraminidase (NA) subtypes of avian and porcine hosts. The sensitivity of the newly developed system was compared with that of the pan-influenza assay, and the specificity of all RT-qPCRs was examined using a broad panel of 404 different influenza A virus isolates representing 45 different subtypes. Furthermore, we analysed the performance of the RT-qPCR assays with diagnostic samples obtained from wild birds and swine. Due to the open format of the array, adaptations to detect newly emerging influenza A virus strains can easily be integrated. The RITA array represents a competitive, fast and sensitive subtyping tool that requires neither new machinery nor additional training of staff in a lab where RT-qPCR is already established.

  5. Controlling chaos in dynamical systems described by maps

    International Nuclear Information System (INIS)

    Crispin, Y.; Marduel, C.

    1994-01-01

    The problem of suppressing chaotic behavior in dynamical systems is treated using a feedback control method with limited control effort. The proposed method is validated on archetypal systems described by maps, i.e. discrete-time difference equations. The method is also applicable to dynamical systems described by flows, i.e. by systems of ordinary differential equations. Results are presented for the one-dimensional logistic map and for a two-dimensional Lotka-Volterra map describing predator-prey population dynamics. It is shown that chaos can be suppressed and the system stabilized about a period-1 fixed point of the maps

  6. Storyboard GALILEO CRUISE SCIENCE OPPORTUNITIES describes asteroid encounters

    Science.gov (United States)

    1989-01-01

    Storyboard with mosaicked image of an asteroid and entitled GALILEO CRUISE SCIENCE OPPORTUNITIES describes asteroid objectives. These objectives include: first asteroid encounter; surface geology, composition size, shape, mass; and relation of primitive bodies to meteorites.

  7. Interculture: Some Concepts for Describing the Situation of Immigrants.

    Science.gov (United States)

    Ekstrand, Lars Henric; And Others

    1981-01-01

    Attempts to find new ways of describing and analyzing dynamic interactions in country of origin, host country, and immigrant community caused by migration. Analyzes linguistic models, concept of culture, emigration psychology, and identity formation. (Author/BK)

  8. Performance of density functional theory methods to describe ...

    Indian Academy of Sciences (India)

    Unknown

    Chemical compounds present different types of isomer- ism. When two isomers differ by ... of DFT methods to describe intramolecular hydrogen shifts. Three small ..... qualitative descriptions of intramolecular hydrogen shifts when large basis ...

  9. Zulma Ageitos de Castellanos: Publications and status of described taxa.

    Science.gov (United States)

    Signorelli, Javier H; Urteaga, Diego; Teso, Valeria

    2015-10-28

    Zulma Ageitos de Castellanos was an Argentinian malacologist working in the "Facultad de Ciencias Naturales y Museo" at La Plata University where she taught invertebrate zoology between 1947 and 1990. Her scientific publications are listed in chronological order. Described genus-group and species-group taxa are listed. Information about the type locality and type material, and taxonomic remarks are also provided. Finally, type material of all described taxa was requested and, when located, illustrated.

  10. Model checking biological systems described using ambient calculus

    DEFF Research Database (Denmark)

    Mardare, Radu Iulian; Priami, Corrado; Qualia, Paola

    2005-01-01

    Model checking biological systems described using ambient calculus. In Proc. of the second International Workshop on Computational Methods in Systems Biology (CMSB04), Lecture Notes in Bioinformatics 3082:85-103, Springer, 2005.......Model checking biological systems described using ambient calculus. In Proc. of the second International Workshop on Computational Methods in Systems Biology (CMSB04), Lecture Notes in Bioinformatics 3082:85-103, Springer, 2005....

  11. Turbulent Evolution of a Plasma Described Through Classical Mechanics Only

    International Nuclear Information System (INIS)

    Escande, D.F.; Elskens, Y.

    2003-01-01

    For the first time an old dream of the XIXth century comes true: the non trivial evolution of a macroscopic many-body system is described through classical mechanics only. This is done for the relaxation of a warm electron beam in a plasma, which results in the generation of Langmuir turbulence and in the formation of a plateau in the velocity distribution function of the electrons. Our derivation starts from the hamiltonian describing the one-dimensional N-body system corresponding to the beam and plasma bulk electrons in electrostatic interaction. For such a system, the dynamics can be reduced to the resonant interaction of M Langmuir waves with N'( > 1 Langmuir waves with N' >> 1 beam particles. This yields the proof of the classical quasilinear equations describing the coupled evolution of the wave spectrum and of the beam velocity distribution function in the strongly nonlinear regime where their validity is the matter of a longstanding controversy

  12. Quantum entropy of systems described by non-Hermitian Hamiltonians

    International Nuclear Information System (INIS)

    Sergi, Alessandro; Zloshchastiev, Konstantin G

    2016-01-01

    We study the quantum entropy of systems that are described by general non-Hermitian Hamiltonians, including those which can model the effects of sinks or sources. We generalize the von Neumann entropy to the non-Hermitian case and find that one needs both the normalized and non-normalized density operators in order to properly describe irreversible processes. It turns out that such a generalization monitors the onset of disorder in quantum dissipative systems. We give arguments for why one can consider the generalized entropy as the informational entropy describing the flow of information between the system and the bath. We illustrate the theory by explicitly studying few simple models, including tunneling systems with two energy levels and non-Hermitian detuning. (paper: quantum statistical physics, condensed matter, integrable systems)

  13. Correlation Factors Describing Primary and Spatial Sensations of Sound Fields

    Science.gov (United States)

    ANDO, Y.

    2002-11-01

    The theory of subjective preference of the sound field in a concert hall is established based on the model of human auditory-brain system. The model consists of the autocorrelation function (ACF) mechanism and the interaural crosscorrelation function (IACF) mechanism for signals arriving at two ear entrances, and the specialization of human cerebral hemispheres. This theory can be developed to describe primary sensations such as pitch or missing fundamental, loudness, timbre and, in addition, duration sensation which is introduced here as a fourth. These four primary sensations may be formulated by the temporal factors extracted from the ACF associated with the left hemisphere and, spatial sensations such as localization in the horizontal plane, apparent source width and subjective diffuseness are described by the spatial factors extracted from the IACF associated with the right hemisphere. Any important subjective responses of sound fields may be described by both temporal and spatial factors.

  14. Algorithm describing pressure distribution of non-contact TNT explosion

    Directory of Open Access Journals (Sweden)

    Radosław Kiciński

    2014-12-01

    Full Text Available [b]Abstract[/b]. The aim of this study is to develop a computational algorithm, describing the shock wave pressure distribution in the space induced by non-contact TNT explosion. The procedure describes pressure distribution on a damp surface of the hull. Simulations have been carried out using Abaqus/CAE. The study also shows the pressure waveform descriptions provided by various authors and presents them in charts. The formulated conclusions convince efficiency of the algorithm application.[b]Keywords:[/b] Underwater explosion, shock wave, CAE, TNT, Kobben class submarine

  15. Use of conformal mapping to describe MHD wave propagation

    International Nuclear Information System (INIS)

    Bulanov, S.V.; Pegoraro, F.

    1993-01-01

    A method is proposed for finding explicit exact solutions of the magnetohydrodynamic equations describing the propagation of magnetoacoustic waves in a plasma in a magnetic potential that depends on two spatial coordinates. This method is based on the use of conformal mappings to transform the wave equation into an equation describing the propagation of waves in a uniform magnetic field. The basic properties of magnetoacoustic and Alfven waves near the critical points, magnetic separatrices, and in configuration with magnetic islands are discussed. Expressions are found for the dimensionless parameters which determine the relative roles of the plasma pressure, nonlinearity, and dissipation near the critical points. 30 refs

  16. Superintendents Describe Their Leadership Styles: Implications for Practice

    Science.gov (United States)

    Bird, James J.; Wang, Chuang

    2013-01-01

    Superintendents from eight southeastern United States school districts self-described their leadership styles across the choices of autocratic, laissez-faire, democratic, situational, servant, or transformational. When faced with this array of choices, the superintendents chose with arguable equitableness, indicating that successful leaders can…

  17. Linear Plasma Oscillation Described by Superposition of Normal Modes

    DEFF Research Database (Denmark)

    Pécseli, Hans

    1974-01-01

    The existence of steady‐state solutions to the linearized ion and electron Vlasov equation is demonstrated for longitudinal waves in an initially stable plasma. The evolution of an arbitrary initial perturbation can be described by superposition of these solutions. Some common approximations...

  18. Tentative purely geometrical Machian framework for describing gravity and inertia

    Energy Technology Data Exchange (ETDEWEB)

    Goldoni, R [Pisa Univ. (Italy). Ist. di Matematica

    1979-03-03

    The purely geometrical Machian approach to gravitation presented in this letter improves an already published one. In any non vacuum cosmos the gravitational equations in gravitational units are identical to Einstein's equations, while the equations describing the gravitational field in local atomic units are integrodifferential equations in agreement with the available experimental data.

  19. Describing the Corneal Shape after Wavefront-Optimized Photorefractive Keratectomy

    NARCIS (Netherlands)

    de Jong, Tim; Wijdh, Robert H. J.; Koopmans, Steven A.; Jansonius, Nomdo M.

    2014-01-01

    PURPOSE: To develop a procedure for describing wavefront-optimized photorefractive keratectomy (PRK) corneas and to characterize PRK-induced changes in shape. METHODS: We analyzed preoperative and postoperative corneal elevation data of 41 eyes of 41 patients (mean [±SD] age, 38 [±11] years) who

  20. Describing Soils: Calibration Tool for Teaching Soil Rupture Resistance

    Science.gov (United States)

    Seybold, C. A.; Harms, D. S.; Grossman, R. B.

    2009-01-01

    Rupture resistance is a measure of the strength of a soil to withstand an applied stress or resist deformation. In soil survey, during routine soil descriptions, rupture resistance is described for each horizon or layer in the soil profile. The lower portion of the rupture resistance classes are assigned based on rupture between thumb and…

  1. Describing, Instantiating and Evaluating a Reference Architecture : A Case Study

    NARCIS (Netherlands)

    Avgeriou, Paris

    2003-01-01

    The result of a domain maturing is the emergence of reference architectures that offer numerous advantages to software architects and other stakeholders. However there is no straightforward way to describe a reference architecture and in sequence to design instances for specific systems, while at

  2. Deaf Autism: Common Instructional Practices Described by Deaf Educators

    Science.gov (United States)

    Rutledge, Felicia

    2017-01-01

    The purpose of this research study was to identify common instructional practices described by teachers of the deaf with students who are deaf with autism that increase both student engagement and instructional outcomes. As the diversity of students increase within deaf/hard of hearing programs, research is emerging in the area of deaf autism.…

  3. Nomenclature proposal to describe vocal fold motion impairment

    NARCIS (Netherlands)

    Rosen, Clark A.; Mau, Ted; Remacle, Marc; Hess, Markus; Eckel, Hans E.; Young, VyVy N.; Hantzakos, Anastasios; Yung, Katherine C.; Dikkers, Frederik G.

    2016-01-01

    The terms used to describe vocal fold motion impairment are confusing and not standardized. This results in a failure to communicate accurately and to major limitations of interpreting research studies involving vocal fold impairment. We propose standard nomenclature for reporting vocal fold

  4. Nomenclature proposal to describe vocal fold motion impairment

    NARCIS (Netherlands)

    Rosen, Clark A.; Mau, Ted; Remacle, Marc; Hess, Markus; Eckel, Hans E.; Young, VyVy N.; Hantzakos, Anastasios; Yung, Katherine C.; Dikkers, Frederik G.

    The terms used to describe vocal fold motion impairment are confusing and not standardized. This results in a failure to communicate accurately and to major limitations of interpreting research studies involving vocal fold impairment. We propose standard nomenclature for reporting vocal fold

  5. First described case of prosthetic joint infection with Clostridium disporicum.

    Science.gov (United States)

    McBride, Joseph A; Sterkel, Alana K; Rehrauer, William M; Smith, Jeannina A

    2017-12-01

    An orthopedic hardware infection with Clostridium disporicum is described. C. disporicum is a gram positive anaerobic bacillus which can contain two subterminal spores. C. disporicum had not previously been reported in musculoskeletal infections. Gram stains demonstrating gram positive bacilli with two subterminal spores should alert practitioners to the possibility of C. disporicum infection. Published by Elsevier Ltd.

  6. Performance of density functional theory methods to describe ...

    Indian Academy of Sciences (India)

    Fukui function shows a small dependence with both the exchange and correlation functional and the basis set. Evolution of the Fukui function along the reaction path describes important changes in the basic sites of the corresponding molecules. These results are in agreement with the chemical behavior of those species.

  7. Toxic trace element assessment for soils/sediments deposited during Hurricanes Katrina and Rita from southern Louisiana, USA: a sequential extraction analysis.

    Science.gov (United States)

    Shi, Honglan; Witt, Emitt C; Shu, Shi; Su, Tingzhi; Wang, Jianmin; Adams, Craig

    2010-07-01

    Analysis of soil/sediment samples collected in the southern Louisiana, USA, region three weeks after Hurricanes Katrina and Rita passed was performed using sequential extraction procedures to determine the origin, mode of occurrence, biological availability, mobilization, and transport of trace elements in the environment. Five fractions: exchangeable, bound to carbonates, bound to iron (Fe)-manganese (Mn) oxides, bound to organic matter, and residual, were subsequently extracted. The toxic trace elements Pb, As, V, Cr, Cu, and Cd were analyzed in each fraction, together with Fe in 51 soil/sediment samples. Results indicated that Pb and As were at relatively high concentrations in many of the soil/sediment samples. Because the forms in which Pb and As are present tend to be highly mobile under naturally occurring environmental conditions, these two compounds pose an increased health concern.Vanadium and Cr were mostly associated with the crystal line nonmobile residual fraction. A large portion of the Cu was associated with organic matter and residual fraction. Cadmium concentrations were low in all soil/sediment samples analyzed and most of this element tended to be associated with the mobile fractions. An average of 21% of the Fe was found in the Fe-Mn oxide fraction, indicating that a substantial part of the Fe was in an oxidized form. The significance of the overall finding of the present study indicated that the high concentrations and high availabilities of the potentially toxic trace elements As and Pb may impact the environment and human health in southern Louisiana and, in particular, the New Orleans area. Copyright (c) 2010 SETAC.

  8. Calidad microbiológica y parasitológica de lechuga (Lactuca sativa y cilantro (Coriandrum sativum expendidos en la Parroquia Santa Rita, Aragua, Venezuela

    Directory of Open Access Journals (Sweden)

    Nirza Noguera Machado

    2016-10-01

    Full Text Available Las hortalizas aportan grandes beneficios para la salud debido a sus innumerables propiedades alimenticias; sin embargo, existe una gran variedad de factores que ponen en riesgo la calidad sanitaria de las mismas constituyéndose en vehículos para enfermedades de transmisión alimentaria (ETA. Por ello, se decidió evaluar la calidad microbiológica y parasitológica de dos hortalizas, lechuga (Lactuca sativa y cilantro (Coriandrum sativum expendidas en la Parroquia Santa Rita del Municipio Francisco Linares Alcántara (Aragua, Venezuela. Se analizaron un total de 20 muestras, 10 de cilantro y 10 de lechuga; la determinación microbiológica se realizó por la técnica del Número Más Probable y el análisis parasitológico, mediante observación directa, tinción de Kinyoun y la técnica de Faust. Los resultados mostraron la presencia de coliformes totales (1,1x104 NMP/g en el 100 % de las muestras. No se evidenció coliformes fecales en ninguna de las muestras. En relación al análisis parasitológico, se identificaron protozoarios intestinales, con mayor prevalencia de Blastocystis spp. y menor en helmintos. Los resultados demuestran el peligro potencial que representa el consumo de hortalizas frescas contaminadas para la salud pública. Se debe concientizar a la población sobre medidas sanitarias preventivas que deben aplicar antes del consumo e implementar medidas de control que mejoren las condiciones higiénicas en la cadena de comercialización.

  9. Looking for the Silver Lining: Benefit Finding after Hurricanes Katrina and Rita in Middle-Aged, Older, and Oldest-Old Adults.

    Science.gov (United States)

    Stanko, Katie E; Cherry, Katie E; Ryker, Kyle S; Mughal, Farra; Marks, Loren D; Brown, Jennifer Silva; Gendusa, Patricia F; Sullivan, Marisa C; Bruner, John; Welsh, David A; Su, L Joseph; Jazwinski, S Michal

    2015-09-01

    Looking for potentially positive outcomes is one way that people cope with stressful events. In two studies, we examined perceived "silver linings" after the 2005 Hurricanes Katrina and Rita among indirectly affected adults. In Study 1, middle-aged (ages 47-64 years), older (ages 65-89 years), and oldest-old (ages 90-95 years) adults in the Louisiana Healthy Aging Study (LHAS) responded to an open-ended question on perceived silver linings in a longitudinal assessment carried out during the immediate impact (1 to 4 months after landfall) and post-disaster recovery phase (6 to 14 months post-storm). Qualitative grounded theory methods were employed to analyze these narrative data. Team-based coding yielded three core themes: (1) learning experience and better preparedness for future disasters, (2) having improved cities (Baton Rouge and New Orleans), and (3) an increase in "Good Samaritan" acts such as strangers helping one another. Responses were similar across age groups, although older adults were the least likely to report positive outcomes. Study 2 was a conceptual replication using a different sample of adults (ages 31 to 82 years) tested at least five years after the storms. A learning experience and preparedness core theme replicated Study 1's findings while improved social cohesion amongst family and friends emerged as a new core theme in Study 2. These data indicate that identifying lessons learned and potentially positive outcomes are psychological reactions that may facilitate post-disaster coping and foster resilience for indirectly affected adults in the years after disaster.

  10. Relativistically Induced Transparency Acceleration (RITA) - laser-plasma accelerated quasi-monoenergetic GeV ion-beams with existing lasers?

    Science.gov (United States)

    Sahai, Aakash A.

    2013-10-01

    Laser-plasma ion accelerators have the potential to produce beams with unprecedented characteristics of ultra-short bunch lengths (100s of fs) and high bunch-charge (1010 particles) over acceleration length of about 100 microns. However, creating and controlling mono-energetic bunches while accelerating to high-energies has been a challenge. If high-energy mono-energetic beams can be demonstrated with minimal post-processing, laser (ω0)-plasma (ωpe) ion accelerators may be used in a wide-range of applications such as cancer hadron-therapy, medical isotope production, neutron generation, radiography and high-energy density science. Here we demonstrate using analysis and simulations that using relativistic intensity laser-pulses and heavy-ion (Mi ×me) targets doped with a proton (or light-ion) species (mp ×me) of trace density (at least an order of magnitude below the cold critical density) we can scale up the energy of quasi-mono-energetically accelerated proton (or light-ion) beams while controlling their energy, charge and energy spectrum. This is achieved by controlling the laser propagation into an overdense (ω0 RITA). Desired proton or light-ion energies can be achieved by controlling the velocity of the snowplow, which is shown to scale inversely with the rise-time of the laser (higher energies for shorter pulses) and directly with the scale-length of the plasma density gradient. Similar acceleration can be produced by controlling the increase of the laser frequency (Chirp Induced Transparency Acceleration, ChITA). Work supported by the National Science Foundation under NSF- PHY-0936278. Also, NSF-PHY-0936266 and NSF-PHY-0903039; the US Department of Energy under DEFC02-07ER41500, DE- FG02-92ER40727 and DE-FG52-09NA29552.

  11. New constitutive equations to describe infinitesimal elastic-plastic deformations

    International Nuclear Information System (INIS)

    Boecke, B.; Link, F.; Schneider, G.; Bruhns, O.T.

    1983-01-01

    A set of constitutive equations is presented to describe infinitesimal elastic-plastic deformations of austenitic steel in the range up to 600 deg C. This model can describe the hardening behaviour in the case of mechanical loading and hardening, and softening behaviour in the case of thermal loading. The loading path can be either monotonic or cyclic. For this purpose, the well-known isotropic hardening model is continually transferred into the kinematic model according to Prager, whereby suitable internal variables are chosen. The occurring process-dependent material functions are to be determined by uniaxial experiments. The hardening function g and the translation function c are determined by means of a linearized stress-strain behaviour in the plastic range, whereby a coupling condition must be taken into account. As a linear hardening process is considered to be too unrealistic, nonlinearity is achieved by introducing a small function w, the determination procedure of which is given. (author)

  12. National survey describing and quantifying students with communication needs.

    Science.gov (United States)

    Andzik, Natalie R; Schaefer, John M; Nichols, Robert T; Chung, Yun-Ching

    2018-01-01

    Research literature has yet to quantify and describe how students with complex communication needs are supported in the classroom and how special educators are being prepared to offer support. This study sought out special educators to complete a survey about their students with complex communication needs. Over 4,000 teachers representing 50 states reported on the communicative and behavioral characteristics of 15,643 students. Teachers described the training they have received and instructional approaches they used. The majority of students were reported to use speech as their primary communication mode. Over half of students utilizing alternative and augmentative communication (AAC) were reported to have non-proficient communication. Teacher training varied across respondents as well as the supports they used to support these students in the classroom. The majority of students with disabilities using AAC when communicating across the nation are not proficiently communicating. Implications and recommendations will be discussed.

  13. Statistical models describing the energy signature of buildings

    DEFF Research Database (Denmark)

    Bacher, Peder; Madsen, Henrik; Thavlov, Anders

    2010-01-01

    Approximately one third of the primary energy production in Denmark is used for heating in buildings. Therefore efforts to accurately describe and improve energy performance of the building mass are very important. For this purpose statistical models describing the energy signature of a building, i...... or varying energy prices. The paper will give an overview of statistical methods and applied models based on experiments carried out in FlexHouse, which is an experimental building in SYSLAB, Risø DTU. The models are of different complexity and can provide estimates of physical quantities such as UA......-values, time constants of the building, and other parameters related to the heat dynamics. A method for selecting the most appropriate model for a given building is outlined and finally a perspective of the applications is given. Aknowledgements to the Danish Energy Saving Trust and the Interreg IV ``Vind i...

  14. Recently described clinically important anaerobic bacteria: medical aspects.

    Science.gov (United States)

    Finegold, S M; Jousimies-Somer, H

    1997-09-01

    There is still inadequate information on the role of certain newly described or reclassified anaerobes in disease processes, on their normal sites of carriage, and on their antimicrobial susceptibilities. Herein, we summarize this information (most of the literature reviewed is from the past 5 years, but a few of the articles are approximately 10 years old). Porphyromonas species had seemed to be relatively nonpathogenic, but recent work indicates that this belief is incorrect. P. gingivalis, P levii-like organisms, and P. endodontalis-like organisms have been recovered from a variety of oral and extraoral infections. P. macacae has been recovered from infected cat bite wounds. Sutterella wadsworthensis, recently differentiated from Campylobacter gracilis, has been found in a variety of infections. Bilophila wadsworthia has also been recovered from a wide variety of infections. Newly described anaerobic cocci, gram-positive nonsporeforming rods, and clostridia have also been isolated from various infections.

  15. The scentscape: An integrative framework describing scents in servicescapes

    OpenAIRE

    Girard, Marc; Girard, Anna; Suppin, Anna-Caroline; Bartsch, Silke

    2016-01-01

    The systematic use of ambient scents is a trend in service companies that is accompanied by increasing research attention. However, we lack a theoretical framework that ad-dresses ambient scents' specific role in physical surroundings of services. Thus, this article develops the 'scentscape', a model that describes the process of olfactory stimulation and its impacts on customers and employees in service environments. The paper extends Bitner's servicescape model (1992) and combines it with G...

  16. A relation to describe rate-dependent material failure.

    Science.gov (United States)

    Voight, B

    1989-01-13

    The simple relation OmegaOmega-alpha = 0, where Omega is a measurable quantity such as strain and A and alpha are empirical constants, describes the behavior of materials in terminal stages of failure under conditions of approximately constant stress and temperature. Applicable to metals and alloys, ice, concrete, polymers, rock, and soil, the relation may be extended to conditions of variable and multiaxial stress and may be used to predict time to failure.

  17. Floristic composition of the cerrado in the Pé-de-Gigante Reserve (Santa Rita do Passa Quatro, southeastern Brazil Composição florística do cerrado na Reserva Pé-de-Gigante (Santa Rita do Passa Quatro, SP

    Directory of Open Access Journals (Sweden)

    Marco Antônio Batalha

    2001-12-01

    Full Text Available We studied a 1225 ha area, composed mainly of cerrado, in Santa Rita do Passa Quatro, São Paulo State, southeastern Brazil (21°36-38'S, 47°36-39'W. In three cerrado physiognomies (campo cerrado -- a wooded savanna, cerrado sensu stricto -- a woodland, and cerradão -- a tall woodland, we collected all vascular plants in reproductive stage, and identified them to species level. We found 360 species, representing 236 genera and 69 families. The richest families were: Asteraceae, Fabaceae, Poaceae, and Rubiaceae. The savanna physiognomies were richer than the forest one. The ratio between herbaceous and woody species was approximately 2:1. We analysed the whole flora and its two components separately, woody and herbaceous, comparing them with other disjunct cerrado areas. We obtained similarity values (Sørensen index from 0.47 to 0.81, which showed that the 3 diversity of the cerrado was higher in the herbaceous component than in the woody one.Estudamos uma área de 1225 ha, composta principalmente por cerrado, situada em Santa Rita do Passa Quatro, estado de São Paulo (21°36-38'S, 47°36-39'W. Em três fisionomias de cerrado (campo cerrado, cerrado sensu stricto e cerradão, coletamos, durante 18 meses, em excursões mensais, espécimes em fase fértil e os identificamos em nível específico. Encontramos 360 espécies, pertencentes a 236 gêneros e 69 famílias. As fam��lias mais ricas foram: Fabaceae, Asteraceae, Poaceae e Rubiaceae. As fisionomias savânicas foram mais ricas do que a florestal. A razão entre espécies arbustivo-arbóreas e herbáceo-subarbustivas foi de aproximadamente 2:1. Analisamos a flora como um todo e seus componentes herbáceo-subarbustivo e arbustivo-arbóreo separadamente, comparando-os com outras áreas disjuntas de cerrado. Dessa comparação, obtivemos valores de similaridade (índice de Sørensen de 0,47 a 0,81, que mostraram que a diversidade 3 foi maior no componente herbáceo-subarbustivo do que no

  18. Florística de lianas em um fragmento de floresta estacional semidecidual, Parque Estadual de Vassununga, Santa Rita do Passa Quatro, SP, Brasil Floristic of lianas in a fragment of seasonal semidecidual forest State Park of Vassununga, Santa Rita do Passa Quatro, São Paulo State, Brazil

    Directory of Open Access Journals (Sweden)

    Yara Junqueira de Azevedo Tibiriçá

    2006-06-01

    Full Text Available Embora o conhecimento sobre a florística dos fragmentos de florestas estacionais semideciduais tenha crescido nos últimos anos, ainda sabe-se pouco sobre a comunidade de lianas (lenhosas ou herbáceas nesses fragmentos. Assim, foi realizado o levantamento florístico de lianas na gleba Maravilha, pertencente ao Parque Estadual de Vassununga (Santa Rita do Passa Quatro, SP, a fim de colaborar com o conhecimento dessa comunidade e subsidiar futuros trabalhos que envolvam essa forma de vida. A área de estudo compreende 127,08 ha, com inverno seco e temperatura média anual de 22 ºC. Para a coleta do material, percorreu-se mensalmente toda a borda do fragmento e três trilhas no interior da mata, de agosto/2002 a setembro/2003. Foram identificadas 120 espécies de lianas, pertencentes a 30 famílias e 71 gêneros, das quais 51% das espécies são volúveis, 42% apresentam gavinhas e apenas 7% são escandentes. As famílias mais representativas em número de espécies foram: Bignoniaceae (26, Malpighiaceae (14, Sapindaceae (12 e Asteraceae (9. Houve baixa similaridade florística entre as espécies de lianas presentes na gleba Maravilha em relação a outras áreas de florestas estacionais semideciduais do interior paulista.Although the knowledge about the floristic composition of the fragments of seasonal semidecidual forest had grown in the last few years, little is known about the liana communities (woody vines and herbaceous vines in those fragments. To collaborate with the knowledgement of the lianas and subsidize future works involving this life form, a floristic survey of the liana species occurring at the fragment Maravilha of the State Park of Vassununga (Santa Rita do Passa Quatro - SP was carried out. The study area comprised 127.08ha, with average temperature of 22 ºC. The whole border of the forest fragment and three tracks inside the forest were surveyed monthly between August 2002 and September 2003. One hundred and twenty species

  19. HERMES: A Model to Describe Deformation, Burning, Explosion, and Detonation

    Energy Technology Data Exchange (ETDEWEB)

    Reaugh, J E

    2011-11-22

    HERMES (High Explosive Response to MEchanical Stimulus) was developed to fill the need for a model to describe an explosive response of the type described as BVR (Burn to Violent Response) or HEVR (High Explosive Violent Response). Characteristically this response leaves a substantial amount of explosive unconsumed, the time to reaction is long, and the peak pressure developed is low. In contrast, detonations characteristically consume all explosive present, the time to reaction is short, and peak pressures are high. However, most of the previous models to describe explosive response were models for detonation. The earliest models to describe the response of explosives to mechanical stimulus in computer simulations were applied to intentional detonation (performance) of nearly ideal explosives. In this case, an ideal explosive is one with a vanishingly small reaction zone. A detonation is supersonic with respect to the undetonated explosive (reactant). The reactant cannot respond to the pressure of the detonation before the detonation front arrives, so the precise compressibility of the reactant does not matter. Further, the mesh sizes that were practical for the computer resources then available were large with respect to the reaction zone. As a result, methods then used to model detonations, known as {beta}-burn or program burn, were not intended to resolve the structure of the reaction zone. Instead, these methods spread the detonation front over a few finite-difference zones, in the same spirit that artificial viscosity is used to spread the shock front in inert materials over a few finite-difference zones. These methods are still widely used when the structure of the reaction zone and the build-up to detonation are unimportant. Later detonation models resolved the reaction zone. These models were applied both to performance, particularly as it is affected by the size of the charge, and to situations in which the stimulus was less than that needed for reliable

  20. Analytical simulation platform describing projections in computed tomography systems

    International Nuclear Information System (INIS)

    Youn, Hanbean; Kim, Ho Kyung

    2013-01-01

    To reduce the patient dose, several approaches such as spectral imaging using photon counting detectors and statistical image reconstruction, are being considered. Although image-reconstruction algorithms may significantly enhance image quality in reconstructed images with low dose, true signal-to-noise properties are mainly determined by image quality in projections. We are developing an analytical simulation platform describing projections to investigate how quantum-interaction physics in each component configuring CT systems affect image quality in projections. This simulator will be very useful for an improved design or optimization of CT systems in economy as well as the development of novel image-reconstruction algorithms. In this study, we present the progress of development of the simulation platform with an emphasis on the theoretical framework describing the generation of projection data. We have prepared the analytical simulation platform describing projections in computed tomography systems. The remained further study before the meeting includes the following: Each stage in the cascaded signal-transfer model for obtaining projections will be validated by the Monte Carlo simulations. We will build up energy-dependent scatter and pixel-crosstalk kernels, and show their effects on image quality in projections and reconstructed images. We will investigate the effects of projections obtained from various imaging conditions and system (or detector) operation parameters on reconstructed images. It is challenging to include the interaction physics due to photon-counting detectors into the simulation platform. Detailed descriptions of the simulator will be presented with discussions on its performance and limitation as well as Monte Carlo validations. Computational cost will also be addressed in detail. The proposed method in this study is simple and can be used conveniently in lab environment

  1. A model to describe the performance of the UASB reactor.

    Science.gov (United States)

    Rodríguez-Gómez, Raúl; Renman, Gunno; Moreno, Luis; Liu, Longcheng

    2014-04-01

    A dynamic model to describe the performance of the Upflow Anaerobic Sludge Blanket (UASB) reactor was developed. It includes dispersion, advection, and reaction terms, as well as the resistances through which the substrate passes before its biotransformation. The UASB reactor is viewed as several continuous stirred tank reactors connected in series. The good agreement between experimental and simulated results shows that the model is able to predict the performance of the UASB reactor (i.e. substrate concentration, biomass concentration, granule size, and height of the sludge bed).

  2. Icosahedral symmetry described by an incommensurately modulated crystal structure model

    DEFF Research Database (Denmark)

    Wolny, Janusz; Lebech, Bente

    1986-01-01

    A crystal structure model of an incommensurately modulated structure is presented. Although six different reciprocal vectors are used to describe the model, all calculations are done in three dimensions making calculation of the real-space structure trivial. Using this model, it is shown that both...... the positions of the bragg reflections and information about the relative intensities of these reflections are in full accordance with the diffraction patterns reported for microcrystals of the rapidly quenched Al86Mn14 alloy. It is also shown that at least the local structure possesses full icosahedral...

  3. [Health consequences of smoking electronic cigarettes are poorly described].

    Science.gov (United States)

    Tøttenborg, Sandra Søgaard; Holm, Astrid Ledgaard; Wibholm, Niels Christoffer; Lange, Peter

    2014-09-01

    Despite increasing popularity, health consequences of vaping (smoking electronic cigarettes, e-cigarettes) are poorly described. Few studies suggest that vaping has less deleterious effects on lung function than smoking conventional cigarettes. One large study found that e-cigarettes were as efficient as nicotine patches in smoking cessation. The long-term consequences of vaping are however unknown and while some experts are open towards e-cigarettes as a safer way of satisfying nicotine addiction, others worry that vaping in addition to presenting a health hazard may lead to an increased number of smokers of conventional cigarettes.

  4. Two heuristic approaches to describe periodicities in genomic microarrays

    Directory of Open Access Journals (Sweden)

    Jörg Aßmus

    2009-09-01

    Full Text Available In the first part we discuss the filtering of panels of time series based on singular value decomposition. The discussion is based on an approach where this filtering is used to normalize microarray data. We point out effects on the periodicity and phases for time series panels. In the second part we investigate time dependent periodic panels with different phases. We align the time series in the panel and discuss the periodogram of the aligned time series with the purpose of describing the periodic structure of the panel. The method is quite powerful assuming known phases in the model, but it deteriorates rapidly for noisy data.  

  5. A Model Describing Stable Coherent Synchrotron Radiation in Storage Rings

    International Nuclear Information System (INIS)

    Sannibale, F.

    2004-01-01

    We present a model describing high power stable broadband coherent synchrotron radiation (CSR) in the terahertz frequency region in an electron storage ring. The model includes distortion of bunch shape from the synchrotron radiation (SR), which enhances higher frequency coherent emission, and limits to stable emission due to an instability excited by the SR wakefield. It gives a quantitative explanation of several features of the recent observations of CSR at the BESSY II storage ring. We also use this model to optimize the performance of a source for stable CSR emission

  6. A model describing stable coherent synchrotron radiation in storage rings

    International Nuclear Information System (INIS)

    Sannibale, F.; Byrd, J.M.; Loftsdottir, A.; Venturini, M.; Abo-Bakr, M.; Feikes, J.; Holldack, K.; Kuske, P.; Wuestefeld, G.; Huebers, H.-W.; Warnock, R.

    2004-01-01

    We present a model describing high power stable broadband coherent synchrotron radiation (CSR) in the terahertz frequency region in an electron storage ring. The model includes distortion of bunch shape from the synchrotron radiation (SR), which enhances higher frequency coherent emission, and limits to stable emission due to an instability excited by the SR wakefield. It gives a quantitative explanation of several features of the recent observations of CSR at the BESSY II storage ring. We also use this model to optimize the performance of a source for stable CSR emission

  7. Colour in flux: describing and printing colour in art

    Science.gov (United States)

    Parraman, Carinna

    2008-01-01

    This presentation will describe artists, practitioners and scientists, who were interested in developing a deeper psychological, emotional and practical understanding of the human visual system who were working with wavelength, paint and other materials. From a selection of prints at The Prints and Drawings Department at Tate London, the presentation will refer to artists who were motivated by issues relating to how colour pigment was mixed and printed, to interrogate and explain colour perception and colour science, and in art, how artists have used colour to challenge the viewer and how a viewer might describe their experience of colour. The title Colour in Flux refers, not only to the perceptual effect of the juxtaposition of one colour pigment with another, but also to the changes and challenges for the print industry. In the light of screenprinted examples from the 60s and 70s, the presentation will discuss 21 st century ideas on colour and how these notions have informed the Centre for Fine Print Research's (CFPR) practical research in colour printing. The latter part of this presentation will discuss the implications for the need to change methods in mixing inks that moves away from existing colour spaces, from non intuitive colour mixing to bespoke ink sets, colour mixing approaches and colour mixing methods that are not reliant on RGB or CMYK.

  8. A Kinetic Model Describing Injury-Burden in Team Sports.

    Science.gov (United States)

    Fuller, Colin W

    2017-12-01

    Injuries in team sports are normally characterised by the incidence, severity, and location and type of injuries sustained: these measures, however, do not provide an insight into the variable injury-burden experienced during a season. Injury burden varies according to the team's match and training loads, the rate at which injuries are sustained and the time taken for these injuries to resolve. At the present time, this time-based variation of injury burden has not been modelled. To develop a kinetic model describing the time-based injury burden experienced by teams in elite team sports and to demonstrate the model's utility. Rates of injury were quantified using a large eight-season database of rugby injuries (5253) and exposure (60,085 player-match-hours) in English professional rugby. Rates of recovery from injury were quantified using time-to-recovery analysis of the injuries. The kinetic model proposed for predicting a team's time-based injury burden is based on a composite rate equation developed from the incidence of injury, a first-order rate of recovery from injury and the team's playing load. The utility of the model was demonstrated by examining common scenarios encountered in elite rugby. The kinetic model developed describes and predicts the variable injury-burden arising from match play during a season of rugby union based on the incidence of match injuries, the rate of recovery from injury and the playing load. The model is equally applicable to other team sports and other scenarios.

  9. Limitations of Poisson statistics in describing radioactive decay.

    Science.gov (United States)

    Sitek, Arkadiusz; Celler, Anna M

    2015-12-01

    The assumption that nuclear decays are governed by Poisson statistics is an approximation. This approximation becomes unjustified when data acquisition times longer than or even comparable with the half-lives of the radioisotope in the sample are considered. In this work, the limits of the Poisson-statistics approximation are investigated. The formalism for the statistics of radioactive decay based on binomial distribution is derived. The theoretical factor describing the deviation of variance of the number of decays predicated by the Poisson distribution from the true variance is defined and investigated for several commonly used radiotracers such as (18)F, (15)O, (82)Rb, (13)N, (99m)Tc, (123)I, and (201)Tl. The variance of the number of decays estimated using the Poisson distribution is significantly different than the true variance for a 5-minute observation time of (11)C, (15)O, (13)N, and (82)Rb. Durations of nuclear medicine studies often are relatively long; they may be even a few times longer than the half-lives of some short-lived radiotracers. Our study shows that in such situations the Poisson statistics is unsuitable and should not be applied to describe the statistics of the number of decays in radioactive samples. However, the above statement does not directly apply to counting statistics at the level of event detection. Low sensitivities of detectors which are used in imaging studies make the Poisson approximation near perfect. Copyright © 2015 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

  10. Experimental investigation of statistical models describing distribution of counts

    International Nuclear Information System (INIS)

    Salma, I.; Zemplen-Papp, E.

    1992-01-01

    The binomial, Poisson and modified Poisson models which are used for describing the statistical nature of the distribution of counts are compared theoretically, and conclusions for application are considered. The validity of the Poisson and the modified Poisson statistical distribution for observing k events in a short time interval is investigated experimentally for various measuring times. The experiments to measure the influence of the significant radioactive decay were performed with 89 Y m (T 1/2 =16.06 s), using a multichannel analyser (4096 channels) in the multiscaling mode. According to the results, Poisson statistics describe the counting experiment for short measuring times (up to T=0.5T 1/2 ) and its application is recommended. However, analysis of the data demonstrated, with confidence, that for long measurements (T≥T 1/2 ) Poisson distribution is not valid and the modified Poisson function is preferable. The practical implications in calculating uncertainties and in optimizing the measuring time are discussed. Differences between the standard deviations evaluated on the basis of the Poisson and binomial models are especially significant for experiments with long measuring time (T/T 1/2 ≥2) and/or large detection efficiency (ε>0.30). Optimization of the measuring time for paired observations yields the same solution for either the binomial or the Poisson distribution. (orig.)

  11. Workplace culture in psychiatric nursing described by nurses.

    Science.gov (United States)

    Kurjenluoma, K; Rantanen, A; McCormack, B; Slater, P; Hahtela, N; Suominen, T

    2017-12-01

    This study looks to describe the workplace culture from the viewpoints of stress, job satisfaction and practice environment. Data were collected from nurses (n = 109) using a web-based survey, The Person-Centred Nursing Index, from two purposefully selected hospital districts in Finland. Data were statistically analysed. Nurses described their workplace culture in slightly positive terms. Nurses only occasionally experienced stress (mean = 2.56, SD = 0.55) and were fairly satisfied with their job (mean = 4.75, SD = 0.66) and their practice environment (mean = 4.42, SD = 0.81). Demographic variables such as the nurses' age, length of time in nursing, time at their present hospital, working shifts and their use of patient restriction were more frequently associated with their perceived workplace culture. Older nurses and those with a longer work history in the nursing profession tended to be more satisfied with their workplace culture in psychiatric nursing. Young and/or newly graduated nurses felt more negatively on their workplace culture; this issue should be recognised and addressed with appropriate support and mentoring. Nurses who used restrictive measures were more often less satisfied with their workplace culture. Continuous efforts are needed to reduce the use of coercive measures, which challenge also the managers to support nursing practice to be more person-centred. © 2017 Nordic College of Caring Science.

  12. In their own words: describing Canadian physician leadership.

    Science.gov (United States)

    Snell, Anita J; Dickson, Graham; Wirtzfeld, Debrah; Van Aerde, John

    2016-07-04

    Purpose This is the first study to compile statistical data to describe the functions and responsibilities of physicians in formal and informal leadership roles in the Canadian health system. This mixed-methods research study offers baseline data relative to this purpose, and also describes physician leaders' views on fundamental aspects of their leadership responsibility. Design/methodology/approach A survey with both quantitative and qualitative fields yielded 689 valid responses from physician leaders. Data from the survey were utilized in the development of a semi-structured interview guide; 15 physician leaders were interviewed. Findings A profile of Canadian physician leadership has been compiled, including demographics; an outline of roles, responsibilities, time commitments and related compensation; and personal factors that support, engage and deter physicians when considering taking on leadership roles. The role of health-care organizations in encouraging and supporting physician leadership is explicated. Practical implications The baseline data on Canadian physician leaders create the opportunity to determine potential steps for improving the state of physician leadership in Canada; and health-care organizations are provided with a wealth of information on how to encourage and support physician leaders. Using the data as a benchmark, comparisons can also be made with physician leadership as practiced in other nations. Originality/value There are no other research studies available that provide the depth and breadth of detail on Canadian physician leadership, and the embedded recommendations to health-care organizations are informed by this in-depth knowledge.

  13. Describing the Peptide Binding Specificity of HLA-C

    DEFF Research Database (Denmark)

    Rasmussen, Michael; Harndahl, Mikkel Nors; Nielsen, Morten

    for 5 HLA-C molecules and for all, but one, molecule we find a high frequency of binders, >70%, among these peptides. To extend the examined peptide space, we use bioinformatic prediction tools to search for additional binders. Finally, we update our prediction tool, NetMHCpan, with the HLA-C affinity......Human leukocyte antigen (HLA) presents peptides to T-cells for immune scrutiny. Whereas HLA-A and -B have been described in great detail, HLA-C has received much less attention. Here, to increase the coverage of HLA-C and the accuracy of the corresponding tools, we have generated HLA-C molecules...... data and show that the predictive performance for HLA-C molecules now is increased to a level comparable withthat of HLA-A and -B. These novel HLA-C molecules and predictors are successfully used to generate HLA-C tetramers and validate HLA-C-restricted T cell responses....

  14. Describing Quadratic Cremer Point Polynomials by Parabolic Perturbations

    DEFF Research Database (Denmark)

    Sørensen, Dan Erik Krarup

    1996-01-01

    We describe two infinite order parabolic perturbation proceduresyielding quadratic polynomials having a Cremer fixed point. The main ideais to obtain the polynomial as the limit of repeated parabolic perturbations.The basic tool at each step is to control the behaviour of certain externalrays.......Polynomials of the Cremer type correspond to parameters at the boundary of ahyperbolic component of the Mandelbrot set. In this paper we concentrate onthe main cardioid component. We investigate the differences between two-sided(i.e. alternating) and one-sided parabolic perturbations.In the two-sided case, we prove...... the existence of polynomials having an explicitlygiven external ray accumulating both at the Cremer point and at its non-periodicpreimage. We think of the Julia set as containing a "topologists double comb".In the one-sided case we prove a weaker result: the existence of polynomials havingan explicitly given...

  15. Models for describing the thermal characteristics of building components

    DEFF Research Database (Denmark)

    Jimenez, M.J.; Madsen, Henrik

    2008-01-01

    , for example. For the analysis of these tests, dynamic analysis models and methods are required. However, a wide variety of models and methods exists, and the problem of choosing the most appropriate approach for each particular case is a non-trivial and interdisciplinary task. Knowledge of a large family....... The characteristics of each type of model are highlighted. Some available software tools for each of the methods described will be mentioned. A case study also demonstrating the difference between linear and nonlinear models is considered....... of these approaches may therefore be very useful for selecting a suitable approach for each particular case. This paper presents an overview of models that can be applied for modelling the thermal characteristics of buildings and building components using data from outdoor testing. The choice of approach depends...

  16. Can the "standard" unitarized Regge models describe the TOTEM data?

    CERN Document Server

    Alkin, A; Martynov, E

    2013-01-01

    The standard Regge poles are considered as inputs for two unitarization methods: eikonal and U-matrix. It is shown that only models with three input pomerons and two input odderons can describe the high energy data on $pp$ and $\\bar pp$ elastic scattering including the new data from Tevatron and LHC. However, it seems that the both considered models require a further modification (e.g. nonlinear reggeon trajectories and/or nonexponential vertex functions) for a more satisfactory description of the data at 19.0 GeV$\\leq \\sqrt{s}\\leq$ 7 TeV and 0.01 $\\leq |t|\\leq $14.2 GeV$^{2}$.

  17. Describing linguistic information in a behavioural framework: Possible or not?

    Energy Technology Data Exchange (ETDEWEB)

    De Cooman, G. [Universiteit Gent, Zwijnaarde (Belgium)

    1996-12-31

    The paper discusses important aspects of the representation of linguistic information, using imprecise probabilities with a behavioural interpretation. We define linguistic information as the information conveyed by statements in natural language, but restrict ourselves to simple affirmative statements of the type {open_quote}subject-is-predicate{close_quote}. Taking the behavioural stance, as it is described in detail, we investigate whether it is possible to give a mathematical model for this kind of information. In particular, we evaluate Zadeli`s suggestion that we should use possibility measures to this end. We come to tile conclusion that, generally speaking, possibility measures are possibility models for linguistic information, but that more work should be done in order to evaluate the suggestion that they may be the only ones.

  18. Nonchaoticity of Ordinary Differential Equations Describing Autonomous Transcriptional Regulatory Circuits

    International Nuclear Information System (INIS)

    Li Pengfei; Hu Gang; Chen Runsheng

    2008-01-01

    Gene transcriptional regulation (TR) processes are often described by coupled nonlinear ordinary differential equations (ODEs). When the dimension of TR circuits is high (e.g. n ≥ 3) the motions of the corresponding ODEs may, very probably, show self-sustained oscillations and chaos. On the other hand, chaoticity may be harmful for the normal biological functions of TR processes. In this letter we numerically study the dynamics of 3-gene TR ODEs in great detail, and investigate many 4-, 5-, and 10-gene TR systems by randomly choosing figures and parameters in the conventionally accepted ranges. And we find that oscillations are very seldom and no chaotic motion is observed, even if the dimension of systems is sufficiently high (n ≥ 3). It is argued that the observation of nonchaoticity of these ODEs agrees with normal functions of actual TR processes

  19. Principal spectra describing magnetooptic permittivity tensor in cubic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Hamrlová, Jana [Nanotechnology Centre, VSB – Technical University of Ostrava, listopadu 15, Ostrava, 708 33 Czech Republic (Czech Republic); IT4Innovations Centre, VSB – Technical University of Ostrava, listopadu 15, Ostrava, 708 33 Czech Republic (Czech Republic); Legut, Dominik [IT4Innovations Centre, VSB – Technical University of Ostrava, listopadu 15, Ostrava, 708 33 Czech Republic (Czech Republic); Veis, Martin [Faculty of Mathematics and Physics, Charles University, Ke Karlovu 3, Prague, 121 16 Czech Republic (Czech Republic); Pištora, Jaromír [Nanotechnology Centre, VSB – Technical University of Ostrava, listopadu 15, Ostrava, 708 33 Czech Republic (Czech Republic); Hamrle, Jaroslav, E-mail: jaroslav.hamrle@vsb.cz [IT4Innovations Centre, VSB – Technical University of Ostrava, listopadu 15, Ostrava, 708 33 Czech Republic (Czech Republic); Faculty of Mathematics and Physics, Charles University, Ke Karlovu 3, Prague, 121 16 Czech Republic (Czech Republic); Department of Physics, VSB – Technical University of Ostrava, 17. listopadu 15, Ostrava, 708 33 Czech Republic (Czech Republic)

    2016-12-15

    We provide unified phenomenological description of magnetooptic effects being linear and quadratic in magnetization. The description is based on few principal spectra, describing elements of permittivity tensor up to the second order in magnetization. Each permittivity tensor element for any magnetization direction and any sample surface orientation is simply determined by weighted summation of the principal spectra, where weights are given by crystallographic and magnetization orientations. The number of principal spectra depends on the symmetry of the crystal. In cubic crystals owning point symmetry we need only four principal spectra. Here, the principal spectra are expressed by ab initio calculations for bcc Fe, fcc Co and fcc Ni in optical range as well as in hard and soft x-ray energy range, i.e. at the 2p- and 3p-edges. We also express principal spectra analytically using modified Kubo formula.

  20. Chapter 35: Describing Data and Data Collections in the VO

    Science.gov (United States)

    Kent, B. R.; Hanisch, R. J.; Williams, R. D.

    The list of numbers: 19.22, 17.23, 18.11, 16.98, and 15.11, is of little intrinsic interest without information about the context in which they appear. For instance, are these daily closing stock prices for your favorite investment, or are they hourly photometric measurements of an increasingly bright quasar? The information needed to define this context is called metadata. Metadata are data about data. Astronomers are familiar with metadata through the headers of FITS files and the names and units associated with columns in a table or database. In the VO, metadata describe the contents of tables, images, and spectra, as well as aggregate collections of data (archives, surveys) and computational services. Moreover, VO metadata are constructed according to rules that avoid ambiguity and make it clear whether, in the example above, the stock prices are in dollars or euros, or the photometry is Johnson V or Sloan g. Organization of data is important in any scientific discipline. Equally crucial are the descriptions of that data: the organization publishing the data, its creator or the person making it available, what instruments were used, units assigned to measurement, calibration status, and data quality assessment. The Virtual Observatory metadata scheme not only applies to datasets, but to resources as well, including data archive facilities, searchable web forms, and online analysis and display tools. Since the scientific output flowing from large datasets depends greatly on how well the data are described, it is important for users to understand the basics of the metadata scheme in order to locate the data that they want and use it correctly. Metadata are the key to data discovery and data and service interoperability in the Virtual Observatory.